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

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

}, keywords = {bridging ligands, Density functional calculations, EPR spectroscopy, N, O ligands, ruthenium}, issn = {0947-6539}, doi = {10.1002/chem.2005.00202}, author = {Kar, S. and Sarkar, B. and Ghumaan, Sandeep and Janardanan, D. and van Slageren, J. and Fiedler, Jan and Puranik, Vedavati G. and Sunoj, R. B. and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000226941900008, title = {Absence of food aversion learning in the polyphagous noctuid, spodoptera litura (F.) following intoxication by deleterious chemicals}, journal = {Journal of Insect Behavior}, volume = {18}, number = {1}, year = {2005}, month = {JAN}, pages = {105-114}, publisher = {SPRINGER/PLENUM PUBLISHERS}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The objective of this study was to determine whether the presence of a deleterious chemical in a preferred host plant could alter the feeding preference of a polyphagous insect. The preference of the Asian armyworm, Spodoptera litura (F.) (Lepidoptera: Noctuidae) for castor, Ricinus communis (L.) (family: Euphorbiaceae) relative to cabbage, Brassica oleracea (L.) (family: Brassicaceae) was quantified by two separate two-way choice tests (without treatment and with treatment of the test chemicals used in the present study) with naive third instar larvae each time. This was followed, by continuous feeding (48 h) on the preferred host treated with the test chemicals and using naive third instar larvae for conditioning. Each treatment consisted of one of nine compounds, including seven naturally occurring allelochemicals (viz. (-)-alpha-pinene, (-)-beta-pinene, beta-myrcene, D-limonene, cineole, rutin, and ajwain oil) and two synthetic insecticides (viz. alphamethrin and malathion). Following this, a two-way choice test was repeated with the same batch of larvae without any test chemical. Larvae continued to maintain preference for castor despite exposure to the deleterious chemicals. Among the test chemicals, D-limonene and alphamethrin caused significant reduction in growth. Preference for castor was not overcome by exposure to novel deleterious chemicals, suggesting that aversion, though experienced is not learned.

}, keywords = {aversion learning, deleterious chemicals, polyphagy, preference, Spodoptera litura}, issn = {0892-7553}, doi = {10.1007/s10905-005-9350-z}, author = {Ghumare, S. S. and Mukherjee, Samindra N.} } @article {42824, title = {Analysis of the use of genomic DNA as a universal reference in two channel DNA microarrays}, journal = {BMC Genomics}, volume = {6}, year = {2005}, month = {MAY}, pages = {Article Number. 66}, type = {Article}, abstract = {

Background: DNA microarray is an invaluable tool for gene expression explorations. In the two-dye microarray, fluorescence intensities of two samples, each labeled with a different dye, are compared after hybridization. To compare a large number of samples, the {\textquoteright}reference design{\textquoteright} is widely used, in which all RNA samples are hybridized to a common reference. Genomic DNA is an attractive candidate for use as a universal reference, especially for bacterial systems with a low percentage of non-coding sequences. However, genomic DNA, comprising of both the sense and anti-sense strands, is unlike the single stranded cDNA usually used in microarray hybridizations. The presence of the antisense strand in the {\textquoteright}reference{\textquoteright} leads to reactions between complementary labeled strands in solution and may cause the assay result to deviate from true values. Results: We have developed a mathematical model to predict the validity of using genomic DNA as a reference in the microarray assay. The model predicts that the assay can accurately estimate relative concentrations for a wide range of initial cDNA concentrations. Experimental results of DNA microarray assay using genomic DNA as a reference correlated well to those obtained by a direct hybridization between two cDNA samples. The model predicts that the initial concentrations of labeled genomic DNA strands and immobilized strands, and the hybridization time do not significantly affect the assay performance. At low values of the rate constant for hybridization between immobilized and mobile strands, the assay performance varies with the hybridization time and initial cDNA concentrations. For the case where a microarray with immobilized single strands is used, results from hybridizations using genomic DNA as a reference will correspond to true ratios under all conditions. Conclusion: Simulation using the mathematical model, and the experimental study presented here show the potential utility of microarray assays using genomic DNA as a reference. We conclude that the use of genomic DNA as reference DNA should greatly facilitate comparative transcriptome analysis.

}, doi = {10.1186/1471-2164-6-66}, author = {Gadgil, Mugdha and Lian, W. and Gadgil, Chetan J. and Kapur, V. and Wu, WS} } @article { ISI:000232141000038, title = {Assessing the role of FecB mutation in productivity of Indian sheep}, journal = {Current Science}, volume = {89}, number = {5}, year = {2005}, month = {SEP}, pages = {887-890}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {FecB (Booroola) gene, Garole sheep, PCR-RFLP test, prolificacy}, issn = {0011-3891}, author = {Pardeshi, V. C. and Sainani, Mohini N. and Maddox, J. F. and Ghalsasi, P. M. and Nimbkar, C. and Gupta, V. S.} } @article { ISI:000226726900020, title = {Backbone-extended pyrrolidine peptide nucleic acids (bepPNA): design, synthesis and DNA/RNA binding studies}, journal = {Chemical Communications}, number = {4}, year = {2005}, month = {JAN}, pages = {495-497}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

One-carbon extended conformationally constrained pyrrolidine PNA monomer (bepPNA) has been synthesized, incorporated into PNA sequences at predefined positions, and showed selective RNA binding properties.

}, issn = {1359-7345}, doi = {10.1039/B413542C}, author = {Govindaraju, T and Kumar, VA} } @article { ISI:000227933800013, title = {Benzoyl transfer reactivities of racemic 2,4-Di-O-acyl-myo-inosityl 1,3,5-orthoesters in the solid state: molecular packing and intermolecular interactions correlate with the ease of the reaction}, journal = {Chemistry-A European Journal}, volume = {11}, number = {7}, year = {2005}, month = {MAR}, pages = {2103-2110}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {hydrogen bonds, Inositol, solid-state reactions, structure elucidation, transesterification}, issn = {0947-6539}, doi = {10.1002/chem.200400851}, author = {Sarmah, M. P. and Gonnade, Rajesh G. and Shashidhar, M. S. and Bhadbhade, Mohan M.} } @article { ISI:000232166800055, title = {Carbohydrate-based approach for the total synthesis of 1,3-polyol/alpha-pyrone antifungal natural products}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {20}, year = {2005}, month = {SEP}, pages = {8216-8219}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0022-3263}, doi = {10.1021/jo050972v}, author = {Ramana, Chepuri V. and Srinivas, B. and Puranik, Vedavati G. and Gurjar, M. K.} } @article { ISI:000229484600029, title = {Carbohydrate-based approach for the total synthesis of strictifolione}, journal = {Tetrahedron Letters}, volume = {46}, number = {23}, year = {2005}, month = {JUN}, pages = {4073-4075}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A chiral pool approach starting with D-glucose, using the Yamaguchi protocol and a Z-selective HWE reaction followed by lactonization, has been applied to execute the total synthesis of strictifolione. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {D-Glucose, double elimination, Horner-Wadsworth-Emmons reaction, lactonization, strictifolione, Yamaguchi protocol}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.04.031}, author = {Ramana, C. V. and Raghupathi, N. and Gurjar, M. K. and Chorghade, Mukund S.} } @article { ISI:000232801900001, title = {Characterization of barium titanate: BaTiO3 (BT) ceramics prepared from sol-gel derived BT powders}, journal = {Journal of Electroceramics}, volume = {15}, number = {2}, year = {2005}, month = {NOV}, pages = {103-108}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Sol-gel synthesis was attempted at room temperature by adding drop wise a clear solution (made by reacting BaCO3 with glacial acetic acid) to an equi-molar solution of titanium tetrabutoxide in isopropanol (IPA) and acetic acid. The gelation occurred within 30 minutes. The as-dried gel was calcined at 750 degrees C/6 h in air to obtain carbon free BaTiO3 powders. The resulting BT powders were further pressed into pellets and sintered at 1280 degrees C/4 h in air to get dense ceramics (density similar to 94\%). XRD and SEM techniques were used for phase and microstructure analysis respectively. The room temperature relative permittivity (e) of 1280 increased to 7200 (at Curie temperature of 127 degrees C) at 1 kHz frequency. The dissipation factor (tan delta) similar to 1.6\% was observed in these samples. Also, the ferroelectric properties such as spontaneous polarization (Ps similar to 13 mu C/cm(2)), coercive field (E-c similar to 4.0 kV/cm) and dielectric strength (similar to 34 kV/cm) are estimated for these samples. These performance parameters are compared with the available standard data from the literature.

}, keywords = {barium titanate, ferroelectricity, Microstructure, relative permittivity, sol-gel processing}, issn = {1385-3449}, doi = {10.1007/s10832-005-1460-7}, author = {Deshpande, S. B. and Godbole, P. D. and Khollam, Y. B. and Potdar, H. S.} } @article { ISI:000229558600004, title = {Characterization of two midgut proteinases of helicoverpa armigera and their interaction with proteinase inhibitors}, journal = {Journal of Insect Physiology}, volume = {51}, number = {5}, year = {2005}, month = {MAY}, pages = {513-522}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {elastase, Helicoverpa armigera gut proteinases, insect-resistant plants, plant proteinase inhibitors}, issn = {0022-1910}, doi = {10.1016/j.jinsphys.2004.12.004}, author = {Telang, M. A. and Giri, Ashok P. and Sainani, Mohini N. and Gupta, Vidya S.} } @article { ISI:000232860300043, title = {Chiral 2-C-methylene glycosides and carbohydrate-derived pyrano[2,3-b][1]benzopyrans: synthesis via InCl3 catalyzed stereoselective ferrier rearrangement of 2-C-acetoxymethyl glycal derivatives}, journal = {Tetrahedron Letters}, volume = {46}, number = {46}, year = {2005}, month = {NOV}, pages = {8047-8051}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

2-C-Acetoxymethyl glycal derivatives react with aliphatic alcohols in the presence of InCl3 (30 mol \%) to furnish the corresponding 2-C-methylene glycosides in excellent yields and with exclusive alpha-selectivity except for the methyl 2-C-methylene glycosides, which are formed in similar to 2:1 anomeric ratio in favour of the alpha-anomer. The reaction of 2-C-acetoxyglycals with phenols, however, produces the corresponding chiral carbohydrate-derived pyranobenzopyran derivatives via initial Ferrier rearrangement followed by tandem cyclization in excellent yields and moderate to high stereoselectivities in favour of the corresponding 10a-R-pyrano[2,3-b][1]benzopyran derivatives. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {2-C-methylene glycoside, InCl3, pyranobenzopyran, Stereoselective}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.09.059}, author = {Ghosh, R. and Chakraborty, A. and Maiti, D. K. and Puranik, Vedavati G.} } @article { ISI:000226743800002, title = {Computational study of a single-phase flow in packed beds of spheres}, journal = {AICHE Journal}, volume = {51}, number = {2}, year = {2005}, month = {FEB}, pages = {365-378}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Packed-bed reactors are widely used in petrochemical, fine chemical, and pharmaceutical industries. Detailed knowledge of interstitial flow in the void space of such packed-bed reactors is essential for understanding the heat and mass transfer characteristics. In this paper, fluid flow through the array of spheres was studied using the unit-cell approach, in which different periodically repeating arrangements of particles such as simple cubical, 1-D rhombohedral, 3-D rhombohedral, and face-centered cubical geometries were considered. Single-phase flow through these geometries was simulated using computational fluid dynamics (CFD). The model was first validated by comparing predicted results with published experimental and computational results. The validated model was further used to study the effect of particle arrangement/orientation on velocity distribution and heat transfer characteristics. The simulated results were also used to understand and to quantify, relative contributions of surface drag and form drag in overall resistance to the flow through packed-bed reactors. The model and the results presented here would be useful in elucidating the role of microscopic flow structure on mixing and other transport processes occurring in packed-bed reactors. (C) 2005 American Institute of Chemical Engineers.

}, keywords = {CFD, drag, heat transfer, packed bed, packing arrangement}, issn = {0001-1541}, doi = {10.1002/aic.10314}, author = {Gunjal, P. R. and Ranade, V. V. and Chaudhari, Raghunath V.} } @article { ISI:000233775600007, title = {Concomitant dimorphs of tri-O-[p-halobenzoyl]-myo-inositol 1,3,5-orthoformates with different halogen bonding contacts: first order crystal-to-crystal thermal phase transition of kinetic form to the thermodynamic form}, journal = {Chemical Communications}, number = {47}, year = {2005}, month = {OCT}, pages = {5870-5872}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/b511754b}, author = {Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S. and Sanki, A. K.} } @article { ISI:000229223600004, title = {Conformationally constrained PNA analogues: structural evolution toward DNA/RNA binding selectivity}, journal = {Accounts of Chemical Research}, volume = {38}, number = {5}, year = {2005}, month = {MAY}, pages = {404-412}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Since its discovery 12 years ago, aminoethylglycyl peptide nucleic acid (aeg-PNA) has emerged as one of the successful DNA mimics for potential therapeutic and diagnostic applications. An important requisite for in vivo applications that has received inadequate attention is engineering PNA analogues for able discrimination between DNA and RNA as binding targets. Our approach toward this aim is based on structural preorganization of the backbone to hybridization-competent conformations to impart binding selectivity. This strategy has allowed us to design locked PNAs to achieve specific hybridization with DNA or RNA with aims to increase the binding strength without losing the binding specificity. This Account presents results of our rationale in design of different conformationally constrained PNA analogues, their synthesis, and evaluation of hybridization specificities.

}, issn = {0001-4842}, doi = {10.1021/ar030277e}, author = {Kumar, VA and Ganesh, Krishna N.} } @article { ISI:000234092500005, title = {Convenient synthesis of the enantiomerically pure beta-blocker (S)-betaxolol using hydrolytic kinetic resolution}, journal = {Tetrahedron-Asymmetry}, volume = {16}, number = {23}, year = {2005}, month = {NOV}, pages = {3802-3806}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Enantiopure (S)-betaxolol was prepared in an extremely simple and practical way using hydrolytic kinetic resolution of a terminal epoxide by Jacobsen{\textquoteright}s catalyst. High enantiomeric purity (99\% ee) has been achieved and the method is amenable to industrial scale-up. (c) 2005 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2005.10.028}, author = {Joshi, Ramesh A. and Garud, Dinesh R. and Muthukrishnan, Murugan and Joshi, Rohini R. and Gurjar, M. K.} } @article { ISI:000229592000044, title = {Copper- and ligand-free sonogashira reaction catalyzed by Pd(0) nanoparticles at ambient conditions under ultrasound irradiation}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {12}, year = {2005}, month = {JUN}, pages = {4869-4872}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0022-3263}, doi = {10.1021/jo0503815}, author = {Gholap, Atul R. and Venkatesan, K. and Pasricha, R. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI:000228898600009, title = {Co-precipitation method for the preparation of ferroelectric CaBi4Ti4O15}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {16}, number = {4}, year = {2005}, month = {APR}, pages = {229-231}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A simple co-precipitation technique has been successfully applied for the preparation of pure single phase CaBi4Ti4O15 (CBT) powders. Ammonium oxalate and ammonium hydroxide were used to precipitate Ca2+, Bi3+ and Ti4+ cations simultaneously. No pyrochlore phase was found while heating powder at 600\° C and pure CBT phase was found to be formed by X-ray diffraction. Particle size and morphology was studied by transmission electron microscopy (TEM). The room temperature dielectric constant at 1 kHz is 400. The ferroelectric hysteresis loop parameters of these samples were also studied. (C) 2005 Springer Science + Business Media, Inc.

}, issn = {0957-4522}, doi = {10.1007/s10854-005-0773-2}, author = {Gaikwad, S. P. and Dhage, S. R. and Ravi, V.} } @article { ISI:000227603500004, title = {Co-precipitation method for the preparation of fine ferroelectric BaBi2M2O9}, journal = {Ceramics International}, volume = {31}, number = {3}, year = {2005}, month = {JAN}, pages = {379-381}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

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

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

}, keywords = {Ceramics, Chemical synthesis, electronic materials, ferroelectricity, Oxides}, issn = {1385-3449}, doi = {10.1007/s10832-005-6588-y}, author = {Gaikwad, S. P. and Dhage, S. R. and Potdar, H. S. and Samuel, V. and Ravi, V.} } @article { ISI:000232157000041, title = {Crystallization and preliminary x-ray characterization of a lectin from Cicer arietinum (chickpea)}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {61}, number = {1}, year = {2005}, month = {JAN}, pages = {141-143}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1744-3091}, doi = {10.1107/S1744309104032166}, author = {Katre, Uma V. and Gaikwad, S. M. and Bhagyawant, S. S. and Deshpande, U. D. and Khan, Mohammad Islam and Suresh, C. G.} } @article { ISI:000228797100055, title = {Deposition and characterization of silver nano-films by a novel solid liquid interface reaction technique (SLIRT)}, journal = {Materials Letters}, volume = {59}, number = {14-15}, year = {2005}, month = {JUN}, pages = {1958-1961}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Solid-liquid interface reaction technique (SLIRT) is used to deposit silver film on glass substrate. The solid film of silver nitrate is formed by modified spin coating method. This film is subsequently processed by dipping it in a reducing solution so as to initiate a reaction at the interface and ultimately transform it to totally silver film. In situ transformation of silver nitrate to silver is studied with respect to time spectrophotometrically. The characterization of silver film is done by various physicochemical techniques namely XRD, XPS, ED, TEM and UV visible spectroscopy. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Electron microscopy, Nano-Particles, solid-liquid interface reaction, thin film}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.02.035}, author = {Godbole, P. D. and Mitra, A. and Pasricha, R. and Mandale, A. B. and Patil, K. R.} } @article { ISI:000228904900011, title = {Deposition of indium nitride films by activated reactive evaporation process - a feasibility study}, journal = {Applied Surface Science}, volume = {245}, number = {1-4}, year = {2005}, month = {MAY}, pages = {73-78}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Indium nitride (InN) films are deposited by {\textquoteleft}activated reactive evaporation (ARE){\textquoteright} process using parallel plate coupled nitrogen plasma (radio frequency source of 13.56 MHz) and evaporation of pure indium powder by resistive heating. Depositions are carried out by varying RF plasma power, on n-type silicon \&LANGBRAC; 1 0 0\&RANGBRAC; substrate, maintained at room temperature, at a nitrogen gas pressure of 1.06 x 10(-1) Pa (8 x 10 (-4) Torr). The film{\textquoteright}s crystallinity was examined by X-ray diffraction (XRD) and topography by scanning electron microscope (SEM). The diffraction pattern shows polycrystalline nature of the deposited films with characteristics of hexagonal structure. XRD peak intensity increases with increase in power. SEM observations show a smooth and pinhole free surface having improved quality of film with hexagonal structure as the power is increased from 60 to 120 W. Primary X-ray photoelectron spectroscopy (XPS) results show binding energies of the In 3d levels and N 1s level matching well with that of stoichiometric InN. Further, the refractive index of the films, measured by ellipsometry, is in the range of η = 2.79-2.91 with the variation of plasma power, which is in good agreement with the standard value for indium nitride (η = 2.9). These results indicate the feasibility of using, {\textquoteleft}activated reactive evaporation (ARE){\textquoteright} process for indium nitride depositions on silicon \&LANGBRAC; 1 0 0\&RANGBRAC; substrates maintained at room temperature. {\textcopyright} 2004 Elsevier B.V. All rights reserved.

}, keywords = {activated reactive evaporation, ellipsometry, indium nitride, SEM, XRD}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2004.09.119}, author = {Patil, Sheetal J. and Bodas, Dhananjay S. and Mandale, A. B. and Gangal, S. A.} } @article { ISI:000228904900029, title = {Deposition of PTFE thin films by RF plasma sputtering on < 100 > silicon substrates}, journal = {Applied Surface Science}, volume = {245}, number = {1-4}, year = {2005}, month = {MAY}, pages = {202-207}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Polymers have been studied extensively due to the wonderful array of properties presented by them. Polymer materials can be coated/deposited by various techniques like sputtering (magnetron, ion beam, RF or dc), plasma polymerization, etc. and can be used in coatings, paint industries, etc. The present study deals with the RF sputter deposition of poly(tetrafluoro ethylene) (PTFE), commonly known as Teflon. Depositions were carried out on mirror polished silicon (1 0 0) substrates at different powers in the range of 100-200 W. The deposition time was kept constant at 60 min. The sputtered film shows lower contact angle of 50\&DEG; with water and 44\&DEG; with diiodomethane, a lower interfacial tension value of 0.76 dyne/cm, indicating hydrophilicity and good adhesion of the film with the substrate. FHR indicates presence of C-F, C-F-2 bonding groups in the deposited film. Further, XPS study shows presence of CF3 (292.2 eV), CF2 (290.8 eV), C-F (288.0 eV) and C-CF (286.4 eV) moieties indicating deposition of PTFE films at higher power levels of plasma. {\textcopyright} 2004 Elsevier B.V. All rights reserved.

}, keywords = {Contact angle measurement, FTIR, PTFE, RF plasma sputtering, XPS}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2004.10.023}, author = {Bodas, Dhananjay S. and Mandale, A. B. and Gangal, S. A.} } @article { ISI:000227299100006, title = {Destructive adsorption of methyl parathion over nanocrystalline MgO}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {44}, number = {2}, year = {2005}, month = {FEB}, pages = {251-255}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Destructive adsorption of methyl parathion (MP) has been investigated over few transition metal oxides and alkali earth metal oxides. Performance of alkaline earth oxides have been found to be better than transition metal oxides and best performance has been shown by aerogel method prepared nanocrystalline AP-MgO. The AP-MgO powder has been characterized by XRD, AFM and BET surface area measurements. Destructive adsorption of MP over AP-MgO has been compared with that of activated carbon. Both are found to adsorb methyl parathion effectively. An IR investigation of the surface of treated AP-MgO and activated carbon reveals that activated carbon adsorbs methyl parathion as such in the molecular form and AP-MgO adsorbs it destructively.

}, issn = {0376-4710}, author = {Reddy, V. S. and RadheShyam, A. and Dwivedi, Reena and Gupta, R. K. and Chumbhale, Vilas R. and Prasad, R.} } @article { ISI:000226473300004, title = {DNA and PNA as templates for building nanoassemblies via electrostatic complexation with gold nanoparticles}, journal = {Current Applied Physics}, volume = {5}, number = {2}, year = {2005}, note = {Indo-Japan Workshop on Advanced Molecular Electronics and Bionics, Kyushu Inst Technol, Grad Sch Life Sci \& Syst Engn, Kitakyushu, JAPAN, DEC 11-13, 2003}, month = {FEB}, pages = {102-107}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {DNA, DNA-gold nanoparticle interactions, nanoassemblies, PNA}, issn = {1567-1739}, doi = {10.1016/j.cap.2004.06.020}, author = {Gourishankar, A and Shukla, S and Pasricha, R and Sastry, M and Ganesh, Krishna N.} } @article { ISI:000230717500010, title = {DNA-binding studies of mixed ligand cobalt(III) complexes}, journal = {Transition Metal Chemistry}, volume = {30}, number = {3}, year = {2005}, month = {APR}, pages = {312-316}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The DNA binding characteristics of mixed ligand complexes of the type [Co(en)(2)(L)]Br-3 where en = N,N{\textquoteright}-ethylenediamine and L = 1,10-phenanthroline (phen), 2,2{\textquoteright}-bipyridine (bpy), 1,10-phenanthroline-5,6-dione (phendione), dipyrido[3,2-a:2{\textquoteright},3{\textquoteright}-c]phenazine (dppz) have been investigated by absorption titration, competitive binding fluorescence spectroscopy and viscosity measurements. The order of intercalative ability of the coordinated ligands is dppz \> phen \> phendione \> bpy in this series of complexes.

}, issn = {0340-4285}, doi = {10.1007/s11243-004-5855-0}, author = {Barve, A. C. and Ghosh, Smita and Kumbhar, A. A. and Kumbhar, A. S. and Puranik, Vedavati G.} } @article { ISI:000226083500005, title = {Dynamics of drop impact on solid surface: experiments and VOF simulations}, journal = {AICHE Journal}, volume = {51}, number = {1}, year = {2005}, month = {JAN}, pages = {59-78}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The process of spreading/recoiling of a liquid drop after collision with a flat solid surface was experimentally, and computationally studied to identify the key issues in spreading of a liquid drop oil a solid surface. The long-term objective of this study is to gain an insight in the phenomenon of wetting of solid particles in the trickle-bed reactors. Interaction of a falling liquid drop with a solid surface (impact, spreading, recoiling, and bouncing) was studied using a high-speed digital camera. Experimental data oil dynamics of a drop impact on flat surfaces (glass and Teflon) are reported over a range of Reynolds numbers (550-2500) and Weber numbers (2-20). A computational fluid dynamics (CFD) model, based on the volume of fluid (VOF) approach, was used to simulate drop dynamics on the flat sufaces. The experimental results were compared with the CFD simulations. Simulations showed reasonably good agreement with the experimental data. A VOF-based computational model was able to capture key features of the interaction of a liquid drop with solid surfaces. The CFD simulations provide information about finer details of drop interaction with the solid surface. Information about gas-liquid and liquid-solid drag obtained from VOF simulations would be useful for CFD modeling of trickle-bed reactors. (C) 2004 American Institute of Chemical Engineers.

}, keywords = {CFD, drop impact, recoiling, spreading, trickle bed, VOF}, issn = {0001-1541}, doi = {10.1002/aic.10300}, author = {Gunjal, P. R. and Ranade, V. V. and Chaudhari, Raghunath V.} } @article { ISI:000227930800016, title = {Efficient method for the synthesis of methyl 11 alpha-amino-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate}, journal = {Tetrahedron}, volume = {61}, number = {14}, year = {2005}, month = {APR}, pages = {3605-3612}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {11-aminosteroid, 11-azidosteroid, base catalyzed epimerization, HIV-1 protease inhibitors, steroidal enamines}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.073}, author = {Salunke, D. B. and Hazra, Braja G. and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Pore, V. S.} } @article { ISI:000227928200058, title = {Efficient total synthesis of sapinofuranone B}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {7}, year = {2005}, month = {APR}, pages = {2843-2846}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient enantioselective synthesis of sapinofuranone B (1) using Sharpless asymmetric dihydroxylation, Sonogashira coupling, and Wittig olefination as the key steps is described.

}, issn = {0022-3263}, doi = {10.1021/jo048087k}, author = {Kumar, P and Naidu, SV and Gupta, P} } @article { ISI:000227026100019, title = {Electrochemical studies of poly (3,4-ethylenedioxythiophene) PEDOT/VS2 nanocomposite as a cathode material for rechargeable lithium batteries}, journal = {Electrochemistry Communications}, volume = {7}, number = {2}, year = {2005}, month = {FEB}, pages = {213-218}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Here, we demonstrate the electrochemical characterization of a new type of layered poly (3,4-ethylenedioxythiophene) PEDOT/ VS2 nanocomposite. It has been prepared via flocculation of delaminated VS2 with subsequent in situ oxidative polymerization of 3,4-ethylenedioxythiophene (EDOT) with VS2 as a host material in the presence of an external oxidizing agent. The interlayer spacing Of VS2 expands from 5.71 to 14.01 A and this interlayer separation is consistent with the existence of a monolayer of PEDOT in the VS2 framework. X-ray diffraction, XPS and TEM studies have been;shown the change in interlayer separation is consistent with the existence of two phases of organic and inorganic species in the nanocomposites corresponding to the intercalation of PEDOT in the VS2 framework. The application potential of the nanocomposite as a cathode material for rechargeable lithium batteries is also demonstrated by the electrochemical intercalation of lithium into the PEDOT/VS2 nanocomposite, where a significant enhancement in the discharge capacity is observed (similar to130 mAh/g) compared to that (80 mAh/g) for pristine VS2. (C) 2004 Published by Elsevier B.V.

}, keywords = {layered nanocomposite, lithium batteries, polythiophene, vanadium disulfide}, issn = {1388-2481}, doi = {10.1016/j.elecom.2004.12.013}, author = {Murugan, A. Vadivel and Gopinath, Chinnakonda S. and Vijayamohanan, K.} } @article { ISI:000231661800039, title = {Enantioselective synthesis of tarchonanthuslactone via iterative hydrolytic kinetic resolution}, journal = {Tetrahedron Letters}, volume = {46}, number = {38}, year = {2005}, month = {SEP}, pages = {6571-6573}, 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 tarchonanthuslactone has been achieved in high diastereomeric excess using iterative Jacobsen{\textquoteright}s hydrolytic kinetic resolution and ring closing metathesis as the key steps. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Jacobsen{\textquoteright}s hydrolytic kinetic resolution, Ring closing metathesis, tarchonanthuslactone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.07.056}, author = {Gupta, P and Naidu, SV and Kumar, P} } @article { ISI:000233825900101, title = {Enhancement of double-layer capacitance behavior and its electrical conductivity in layered poly (3, 4-ethylenedioxythiophene)-based nanocomposites}, journal = {Applied Physics Letters}, volume = {87}, number = {24}, year = {2005}, month = {DEC}, pages = {243511}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

In this letter, we report on the enhanced double-layer capacitance of a layered poly (3, 4-ethylene dioxythiophene) PEDOT-MoO3 nanocomposite, which has been synthesized by a novel microwave irradiation method. The x-ray photoelectron spectroscopy analysis shows the changes in electron density and the shift in binding energy suggesting charge transfer from sulfur atoms upon PEDOT intercalation between MoO3 layers. The room-temperature conductivity for the PEDOT-MoO3 composite is found to be 1.82x10(-1) S cm(-1), which is four orders of magnitude higher than that of the pristine oxide (3.78x10(-5) S cm(-1)). The enhanced double-layer capacitance of the PEDOT-MoO3 nanocomposite (similar to 300 F g(-1)) compared to that (similar to 40 mF g(-1)) of pristine MoO3 is attributed to higher electronic conductivity, enhanced bidimensionality, and increase in surface area of the nanocomposite.

}, issn = {0003-6951}, doi = {10.1063/1.2140468}, author = {Murugan, A. Vadivel and Viswanath, A. K. and Campet, Guy and Gopinath, Chinnakonda S. and Vijayamohanan, K.} } @article { ISI:000232737900002, title = {Enzymatic hydrolysis of delignified bagasse polysaccharides}, journal = {Carbohydrate Polymers}, volume = {62}, number = {1}, year = {2005}, month = {OCT}, pages = {6-10}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {bagasse polysaccharides, Cellulase, chemical treatment, Enzymatic hydrolysis, Penicillium janthinellum, Sugarcane bagasse, Xylanase}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2005.07.010}, author = {Adsul, Mukund G. and Ghule, J. E. and Shaikh, H. and Singh, R. and Bastawade, Kulbhushan B. and Gokhale, D. V. and Varma, Anjanikumar} } @article { ISI:000228094400009, title = {Gene expression patterns of helicoverpa armigera gut proteases}, journal = {Insect Biochemistry and Molecular Biology}, volume = {35}, number = {4}, year = {2005}, month = {APR}, pages = {355-367}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {expression, gut proteinases, Helicoverpa armigera, Proteinase inhibitors, RT-PCR}, issn = {0965-1748}, doi = {10.1016/j.ibmb.2005.01.006}, author = {Chougule, Nanasaheb P. and Giri, Ashok P. and Sainani, Mohini N. and Gupta, Vidya S.} } @article { ISI:000229384000006, title = {General melting point prediction based on a diverse compound data set and artificial neural networks}, journal = {Journal of Chemical Information and Modeling}, volume = {45}, number = {3}, year = {2005}, month = {MAY}, pages = {581-590}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report the development of a robust and general model for the prediction of melting points. It is based on a diverse data set of 4173 compounds and employs a large number of 2D and 3D descriptors to capture molecular physicochemical and other graph-based properties. Dimensionality reduction is performed by principal component analysis, while a fully connected feed-forward back-propagation artificial neural network is employed for model generation. The melting point is a fundamental physicochemical property of a molecule that is controlled by both single-molecule properties and intermolecular interactions due to packing in the solid state. Thus, it is difficult to predict, and previously only melting point models for clearly defined and smaller compound sets have been developed. Here we derive the first general model that covers a comparatively large and relevant part of organic chemical space. The final model is based on 2D descriptors, which are found to contain more relevant information than the 3D descriptors calculated. Internal random validation of the model achieves a correlation coefficient of R-2 = 0.661 with an average absolute error of 37.6 degrees C. The model is internally consistent with a correlation coefficient of the test set of Q(2) = 0.658 (average absolute error 38.2 degrees C) and a correlation coefficient of the internal validation set of Q(2) = 0.645 (average absolute error 39.8 degrees C). Additional validation was performed on an external drug data set consisting of 277 compounds. On this external data set a correlation coefficient of Q(2) = 0.662 (average absolute error 32.6 degrees C) was achieved, showing ability of the model to generalize. Compared to an earlier model for the prediction of melting points of druglike compounds our model exhibits slightly improved performance, despite the much larger chemical space covered. The remaining model error is due to molecular properties that are not captured using single-molecule based descriptors, namely both inter- and intramolecular interactions and crystal packing, for which examples of and reasons for outliers are given.

}, issn = {1549-9596}, doi = {10.1021/ci0500132}, author = {Karthikeyan, Muthukumarasamy and Glen, R. C. and Bender, Andreas} } @article { ISI:000227170600016, title = {Gradual transitions in morphology of diamond films grown by using N-2 admixtures of CH4+H-2 gas in a hot filament assisted chemical vapour deposition system}, journal = {Diamond and Related Materials}, volume = {14}, number = {2}, year = {2005}, month = {FEB}, pages = {232-242}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A study of the evolution of morphology of diamond films grown as a function of N-2 gas additions to the CH4+H-2 precursor in an HF-CVD system is presented. With the increase of admixture of N2 fraction, in contrast to earlier studies, the morphology was observed first to gradually change from {111}-faceted crystallites texture to that of an intermediate cubo-octahedral crystallite texture and then gradually but finally to transform completely into that of {100}-faceted crystallites. The threshold nitrogen concentration, [N-2](thr), required to bring about the said transition in morphology was much larger than it was reported previously. Moreover, the morphology transition required a larger [N-2](thr) when a large fraction of methane was employed. Further additions of nitrogen, that just exceeded the [N-2](thr), resulted in growth of films containing slightly bigger {100}-multi-layered grains or isolated planar {100}-platelets. For extremely large nitrogen additions, the growth of nanocrystalline or amorphous carbon films was observed. The N-2 additions more than 50 vol.\% did not yield any deposition. Raman scattering and photoluminescence measurements were used respectively for characterizing the quality and nitrogen doping in the films. These results are attributed to the possible catalytic role of atomic nitrogen at the growing surface. (C) 2005 Elsevier B.V. All rights reserved.

}, keywords = {diamond film, hot filament CVD, morphology transitions, nitrogen}, issn = {0925-9635}, doi = {10.1016/j.diamond.2004.11.042}, author = {Kshirsagar, S. T. and Kshirsagar, R. B. and Patil, P. S. and Kulkarni, A. and Mandate, A. B. and Gaikwad, A. B. and Gokhale, Suresh P.} } @article { ISI:000232864800021, title = {Growth kinetics and thermodynamic stability of octadecyltrichlorosilane self-assembled monolayer on Si (100) substrate}, journal = {Materials Letters}, volume = {59}, number = {29-30}, year = {2005}, month = {DEC}, pages = {3890-3895}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We have studied the growth kinetics and thermodynamic stability of octadecyltrichlorosilane (OTS) self-assembled monolayers on Si (100) substrate in order to understand its role in controlling the adhesion and surface hydrophobicity. Time-dependent contact angle measurements, using water as a function of OTS concentration, show rapid monolayer formation in the initial stage followed by a slow attainment of full coverage and the overall kinetics approximately follows the Langmuir adsorption isotherm. The adsorption rate constant (k(a) = 150 M-1 s(-1)) is found to be significantly greater than the desorption rate constant (k(d) = 0.156 s(-1)) while the Gibbs free energy (Delta G(ads)) change amounts to -4.2 kcal/mol suggesting thermodynamic stability of OTS monolayer on a silicon surface. Partial monolayer formation by a {\textquoteleft}uniform{\textquoteright} growth mechanism, even at low coverage, is revealed by atomic force microscopy (AFM) in conjunction with grazing angle FTIR spectroscopy. Analysis of the interfacial adhesion properties using Zisman plot suggests a critical surface tension (gamma(c)) of 20.7 dyn/cm for OTS monolayer on Si (100) surface. (C) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Gibbs{\textquoteright}s free energy (AG), growth kinetics, octadecyltrichlorosilane (OTS), self-assembled monolayers (SAMs), Zisman plot}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.07.026}, author = {Kulkarni, S. A. and Mirji, S. A. and Mandale, A. B. and Gupta, R. P. and Vijayamohanan, K. P.} } @article { ISI:000233684200006, title = {Higher accumulation of proteinase inhibitors in flowers than leaves and fruits as a possible basis for differential feeding preference of Helicoverpa armigera on tomato (Lycopersicon esculentum Mill, Cv. Dhanashree)}, journal = {Phytochemistry}, volume = {66}, number = {22}, year = {2005}, month = {NOV}, pages = {2659-2667}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, keywords = {alpha-diimine nickel complex, Ethylene polymerization, late transition-metal, propylene polymerization}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2004.11.046}, author = {Liu, Hua-Rong and Gomes, P. T. and Costa, S. I. and Duarte, M. T. and Branquinho, R. and Fernandes, A. C. and Chien, J. C. W. and Singh, R. P. and Marques, Maria M.} } @article { ISI:000230828800038, title = {Hydrodynamics of trickle-bed reactors: experiments and CFD modeling}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {16}, year = {2005}, month = {AUG}, pages = {6278-6294}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{Hydrodynamics of trickle-bed reactors involve complex interactions of gas and liquid phases with packed solids. Such complex interactions manifest in different flow regimes occurring in trickle-bed reactors. Knowledge of prevailing flow regime, pressure drop, and liquid holdup is essential for design and performance evaluation of the reactor. Detailed knowledge of fluid dynamics is essential for {\textquoteleft}{\textquoteleft}a priory{\textquoteright}{\textquoteright} predictions as well as for interpretation of available data. In this study, we have used wall pressure fluctuation measurements to identify prevailing flow regime in trickle beds. Experiments were carried out on two scales of columns (of diameter 10 cm and 20 cm) with two sets of particles (3 min and 6 mm diameter spherical particles). Effects of prewetted and unwetted bed conditions on pressure drop and liquid holdup were reported for a range of operating conditions (V-G = 0.22-0.44 kg/m(2)s

}, issn = {0888-5885}, doi = {10.1021/ie0491037}, author = {Gunjal, P. R. and Kashid, M. N. and Ranade, V. V. and Chaudhari, Raghunath V.} } @article { ISI:000231767400051, title = {Identical molecular strings woven differently by intermolecular interactions in dimorphs of myo-inositol 1,3,5-orthobenzoate}, journal = {Crystal Growth \& Design}, volume = {5}, number = {5}, year = {2005}, month = {SEP}, pages = {1977-1982}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1528-7483}, doi = {10.1021/cg050272j}, author = {Bhosekar, Gaurav V. and Murali, Chebrolu and Gonnade, Rajesh G. and Shashidhar, M. S. and Bhadbhade, Mohan M.} } @article { ISI:000225953600006, title = {In situ polymerization of ethylene with bis(imino)pyridine iron(II) catalysts supported on clay: the synthesis and characterization of polyethylene-clay nanocomposites}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {43}, number = {2}, year = {2005}, month = {JAN}, pages = {304-318}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

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

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

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

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

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

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

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

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

}, keywords = {high-resolution, quadrupolar nuclei, sensitivity, Solid-state NMR}, issn = {1090-7807}, doi = {10.1016/j.jmr.2004.11.001}, author = {Amoureux, J. P. and Delevoye, L. and Steuernagel, S. and Gan, Zhengting and Ganapathy, Subramanian and Montagne, L.} } @article { ISI:000233351600005, title = {IndCollections: biological specimens in Indian collections}, journal = {Current Science}, volume = {89}, number = {9}, year = {2005}, month = {NOV}, pages = {1454-1455}, publisher = {CURRENT SCIENCE ASSN}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Chavan, V. and Rane, N. S. and Ghate, H. V. and Krishnan, S.} } @article {42819, title = {India: apremier destination for outsourcing}, volume = {42}, year = {2005}, month = {JAN}, author = {Chorghade, Mukund S. and Chorghade, V. M. and Gurjar, Mukund K. and Ramana, Chepuri V. and Kamerkar, A. V. and Zafran, H. and Mashelkar, Raghunath Anant} } @article { ISI:000227966600021, title = {Insight into the mechanism of selective mono-N-methylation of aniline on Cu1-xZnxFe2O4: a DRIFTS study}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {231}, number = {1-2}, year = {2005}, month = {APR}, pages = {169-180}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Mechanism of selective mono-N-methylation of aniline with methanol on Cu1-xZn2FeO4 catalysts was investigated in detail. The interaction of reactants (aniline. methanol and methanol: aniline) and possible products (N-methylaniline (NMA), N,N-dimethylaniline (DMA) and o-toluidine (OT)) on catalysts surface was studied by temperature-dependent in situ FTIR spectroscopy. Methanol adsorbs dissociatively over catalysts surface at 373 K as methoxy species and is oxidized to formate species at high temperature through dioxymethylene and/or formaldehyde as a surface intermediate species. On the other hand, adsorption of aniline:methanol mixtures shows that methanol oxidation was completely hindered in the presence of aniline. Aniline adsorbs on the Lewis acid sites at \<= 373 K with phenyl ring oriented in a perpendicular manner to the catalyst surfaced however, N-H bond scission occurs above 373 K. A comparison of adsorbed NMA and methanol: am line (3:1) mixture on Cu0.5Zn0.5Fe2O4 shows NMA forms from the reaction mixture at 473 K. However, maximum activity at 573 K in catalytic reaction studies suggests that desorption limits the methylation kinetics. FTIR study displays stable aniline and methyl species on ZnFe2O4 even at 573 K; however. no methyl species is detected on Cr0.95Zn0.05Fe2O4 at 473 K due to methanol reforming reaction and that limits the overall reaction and hence low catalytic activity. It is proposed that methanol is protonated on catalysts surface by the labile H+ due to N-H bond scission. Co-adsorption of acidity probes with aniline and methanol indicates that aniline methylation takes place at single acid-base site. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Aniline, Cu1-xZnxFe2O4, desorption limited, DRIFT, IR, Methanol, N-methylaniline, N-methylation, reaction mechanism}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.01.014}, author = {Vijayaraj, M. and Murugan, B. and Shubhangi B. Umbarkar and Hegde, S. G. and Gopinath, Chinnakonda S.} } @article { ISI:000230945400267, title = {Isopropyl 2,5-anhydro-3,4-di-O-tert-butyldiphenyl-silyl-L-ribonate}, journal = {Acta Crystallographica Section E - Structure Reports Online}, volume = {61}, number = {8}, year = {2005}, month = {AUG}, pages = {O2724-O2726}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

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

}, issn = {1600-5368}, doi = {10.1107/S1600536805023822}, author = {Glawar, A. F. G. and Watkin, D. J. and Sanjayan, G. J. and Tranter, G. E. and Edwards, Alison A. and Fleet, George W. J.} } @article { ISI:000230467900038, title = {Isothermal kinetic study of nitric oxide adsorption and decomposition on Pd(111) surfaces: molecular beam experiments}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {27}, year = {2005}, month = {JUL}, pages = {13283-13290}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The kinetics of NO adsorption and dissociation on Pd(111) surfaces and the NO sticking coefficient (S-NO) were probed by isothermal kinetic measurements between 300 and 525 K using a molecular beam instrument. NO dissociation and N-2 productions were observed in the transient state from 425 K and above on Pd(l 11) surfaces with selective nitrogen production. Maximum nitrogen production was observed between 475 and 500 K. It was found that, at low temperatures, between 300 and 350 K, molecular adsorption occurs with a constant initial SNO of 0.5 until the Pd(I 11) surface is covered to about 70-80\% by NO. Then SNO rapidly decreases with further increasing NO coverage, indicating typical precursor kinetics. The dynamic adsorption-desorption equilibrium on Pd(I 11) was probed in modulated beam experiments below 500 K. CO titration experiments after NO dosing indicate the diffusion of oxygen into the subsurface regions and beginning surface oxidation at \>= 475 K. Finally, we discuss the results with respect to the rate-limiting character of the different elementary steps of the reaction system.

}, issn = {1520-6106}, doi = {10.1021/jp050813f}, author = {Thirunavukkarasu, K and Thirumoorthy, K and Libuda, X and Gopinath, Chinnakonda S.} } @article { ISI:000229478400004, title = {Kunitz trypsin inhibitor from chickpea (Cicer arietinum L.) that exerts anti-metabolic effect on podborer (Helicoverpa armigera) larvae}, journal = {Plant Molecular Biology}, volume = {57}, number = {3}, year = {2005}, month = {FEB}, pages = {359-374}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {biodegradability, hardwood lignins, lignin-carbohydrate complex, softwood lignins, Sugarcane bagasse, sulfur-free lignins, xylanase enzyme}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2005.07.011}, author = {Singh, R. and Singh, S. and Trimukhe, K. D. and Pandare, K. V. and Bastawade, Kulbhushan B. and Gokhale, D. V. and Varma, Anjanikumar} } @article { ISI:000228499400014, title = {Main chain thermotropic liquid crystalline polyurethanes containing biphenyl mesogens based on novel AB-type self-polycondensation route: FT-IR and XRD studies}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {43}, number = {9}, year = {2005}, month = {MAY}, pages = {1903-1912}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The detailed mesophasic characterization of main chain liquid crystalline polyurethanes containing biphenyl mesogen, which were synthesized by the novel AB-type self-polycondensation approach, was carried out by using Differential Scanning Calorimetry (DSC), Polarized Optical Microscopy (POM), variable temperature X-ray Diffraction (XRD), and Fourier Transform Infrared (FT-IR) spectroscopic studies. The type of mesophase present in these polymers was identified to be the smectic A phase by POM and XRD studies. The smectic layer thickness was found to increase as the length of the spacer increased. The effect of temperature on the hydrogen bonding was analyzed by FT-IR studies. The curve-fitting analysis of the NH stretching and C=O stretching modes of vibrations indicated a gradual decrease in hydrogen bonding during the transition from the crystalline state to the mesophase. The mesophase to isotropic liquid transition was then accompanied by the complete disappearance of the hydrogen bonding. The biphenyl bands also showed changes during phase transitions due to the coupling of biphenyl vibration modes with the urethane linkage attached to it. (c) 2005 Wiley Periodicals, Inc.

}, keywords = {FT-IR, liquid-crystalline polymers, polyurethanes, XRD studies}, issn = {0887-624X}, doi = {10.1002/pola.20668}, author = {Ranganathan, T. and Gowd, E. B. and Ramesh, C. and Kumar, Anil} } @article { ISI:000227146700004, title = {MCM-41-supported platinum carbonyl cluster-derived asymmetric hydrogenation catalyst}, journal = {Journal of Catalysis}, volume = {229}, number = {2}, year = {2005}, month = {JAN}, pages = {298-302}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Anionic platinum carbonyl cluster has been ion paired with cinchonidium groups that are chemically bound to the surface of MCM-41 and fumed silica. In the hydrogenation of methyl pyruvate or acetophenone the fumed silica-based catalyst gives zero enantioselectivity, but under optimum conditions enantiomeric excesses of \>90 and similar to40\%, respectively, are obtained with the MCM-41-based catalyst. (C) 2004 Elsevier Inc. All rights reserved.

}, keywords = {asymmetric catalysis, functionalized inorganic oxides, hydrogenation catalysts, platinum carbonyl cluster}, issn = {0021-9517}, doi = {10.1016/j.jcat.2004.11.010}, author = {Basu, Susmit and Paul, Himadri and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000230717500014, title = {Metalloantitubercular compounds part 3: synthesis, crystal structure, spectroscopy, electrochemistry and antimycobacterial activity of the copper(II) ciproploxacin (cfH) complex and its phenanthroline adduct}, journal = {Transition Metal Chemistry}, volume = {30}, number = {3}, year = {2005}, month = {APR}, pages = {334-340}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {4-amino-3, 4-dihydroquinolin-2-ones, azetidin-2-ones, imines, ketenes, Microwave, transfer hydrogenation}, doi = {10.3998/ark.5550190.0006.106}, author = {Shirode, N. M. and Kulkarni, K. C. and Gumaste, V. K. and Deshmukh, A. R. A. S.} } @article { ISI:000232103800003, title = {Mitochondrial sequence reveals high levels of gene flow between breeds of domestic sheep from Asia and Europe}, journal = {Journal of Heredity}, volume = {96}, number = {5}, year = {2005}, month = {SEP}, pages = {494-501}, publisher = {OXFORD UNIV PRESS INC}, type = {Article}, address = {JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA}, abstract = {

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

}, issn = {0022-1503}, doi = {10.1093/jhered/esi100}, author = {Meadows, J. R. S. and Li, K. and Kantanen, J. and Tapio, M. and Sipos, W. and Pardeshi, V. and Gupta, V. and Calvo, J. H. and Whan, V. and Norris, B. and Kijas, J. W.} } @article { ISI:000230467900037, title = {Molecular beam study of the NO plus CO reaction on Pd(111) surfaces}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {27}, year = {2005}, month = {JUL}, pages = {13272-13282}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nitric oxide (NO) reduction with carbon monoxide (CO) on the Pd(111) surface was studied under isothermal conditions by molecular beam techniques as a function of temperature, NO:CO beam composition, and beam flux. Systematic experiments were performed under transient and steady state conditions. Displacement of adsorbed CO by NO in the transient state of the reaction was observed at temperatures between 375 and 475 K for all the NO: CO compositions studied. NO accumulation occurs on Pd(l 11) surface under steady state conditions, below 475 K, due to stronger chemisorption of NO. The steady state reaction rates attain a maximum at about 475 K, nearly independent of beam composition. N-2 was found to be the major product of the reduction, along with a minor production of N2O. The production of N2 and N2O indicates molecular and dissociative adsorption of NO on Pd(l 11) at temperatures up to 525 K. Postreaction TPD measurements were performed in order to determine the nitrogen coverage under steady-state conditions. Finally, the results are discussed with respect to the rate-controlling character of the different elementary steps of the reaction system.

}, issn = {1520-6106}, doi = {10.1021/jp050478v}, author = {Thirunavukkarasu, K and Thirumoorthy, K and Libuda, J and Gopinath, Chinnakonda S.} } @article { ISI:000234827500083, title = {Molecular dynamics simulations of H2O with sites of Cu-I-FAU and Cu-II-FAU}, journal = {Studies in surface science and catalysis }, volume = {158}, number = {A-B}, year = {2005}, note = {3rd Conference of the Federation-of-European-Zeolite-Association, Prague, CZECH REPUBLIC, AUG 23-29, 2005}, month = {OCT}, pages = {655-662}, publisher = {Elsevier Science}, type = {Article, Proceedings Paper}, address = {Prague, Czech Republic}, abstract = {

A Born Oppenheimer molecular dynamic (BOMD) approach was chosen to study the interaction of water molecules with Cu-FAU models. We have compared the reactivity of Cu-I and Cu-II with the zeolite and compared the results to those calculated for Na. This Study shows a decrease of the coordination with time for Cu-I whereas there is not a significant change for Cu-II. BOMD shows also that, in the presence of water, Na+ may lead to easier cation exchange than for transition metal cations.

}, isbn = {0-444-52082-1}, issn = {0167-2991}, doi = {10.1016/S0167-2991(05)80397-0}, author = {Berthomieu, D. and Krishnamurty, S. and Heine, Thomas and Goursot, A.}, editor = {Cejka, J. and Zilkova, N. and Nachtigall, P.} } @article { ISI:000232598600005, title = {Molecular mapping of stem and leaf rust resistance in wheat}, journal = {Theoretical and Applied Genetics}, volume = {111}, number = {5}, year = {2005}, month = {SEP}, pages = {846-850}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

Stem rust caused by Puccinia graminis f. sp. tritici Eriks and Henn and leaf rust caused by Puccinia triticina Rob. ex Desm. are major constraints to wheat production worldwide. In the present study, F-4-derived SSD population, developed from a cross between Australian cultivars {\textquoteleft}Schomburgk{\textquoteright} and {\textquoteleft}Yarralinka{\textquoteright}, was used to identify molecular markers linked to rust resistance genes Lr3a and Sr22. A total of 1,330 RAPD and 100 ISSR primers and 33 SSR primer pairs selected on the basis of chromosomal locations of these genes were used. The ISSR marker UBC 840(540) was found to be linked with Lr3a in repulsion at a distance of 6.0 cM. Markers cfa2019 and cfa2123 flanked Sr22 at a distance of 5.9 cM (distal) and 6.0 cM (proximal), respectively. The use of these markers in combination would predict the presence or absence of Sr22 in breeding populations. A previously identified PCR-based diagnostic marker STS638 linked to Lr20 was validated in this population. This marker showed a recombination value of 7.1 cM with Lr20.

}, issn = {0040-5752}, doi = {10.1007/s00122-005-0005-4}, author = {Khan, R. R. and Bariana, Harbans S. and Dholakia, Bhushan B. and Naik, S. V. and Lagu, Meena D. and Rathjen, A. J. and Bhavani, Sridhar and Gupta, V. S.} } @article { ISI:000230698100015, title = {Molecular origins of wettability of hydrophobic poly(vinylidene fluoride) microporous membranes on poly(vinyl alcohol) adsorption: Surface and interface analysis by XPS}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {29}, year = {2005}, month = {JUL}, pages = {13941-13947}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

irreversible adsorption of poly(vinyl alcohol) (PVA) on hydrophobic, porous poly(vinylidene fluoride) (PVDF) membranes was carried out using aqueous PVA solution. Water permeation was observed in PVDF microporous membranes after PVA adsorption, and maximum permeability was obtained after treatment with 4\% PVA solution. Water permeability increased linearly with increasing PVA concentration up to 4\%, and then a marginal decrease with a further increase in PVA concentration occurred. PVA adsorbed PVDF membranes were subjected to intense physicochemical analysis, especially with XPS. XPS results display the presence of an interface between PVA and PVDF, and the binding energy (BE) of the interface is low for the PVDF membranes treated with 4\% PVA. Carbon from CF2-groups and F 1s core level clearly showed a decrease in its content on the surface after PVA adsorption and showed a minimum fluorine content at 4\% PVA. F Is BE shifts by 0.5 eV upon PVA adsorption and is independent of PVA concentration. EDAX analysis indicates that the bulk oxygen content remains within 4.5 +/- 0.6\% and is independent of the PVA concentration. Nonetheless, a large amount of surface atom percentage of oxygen (20 +/- 4\%) from 0 Is core level shows an increase in PVA content on the surface of PVDF, and it is restricted mostly to the surface. The 4\% PVA treated PVDF membrane clearly shows a broadening of O 1s core level to lower BE and indicates the interaction between PVDF and PVA which is significantly different compared to any other compositions. A new valence band feature at low BE, which is nonexistent on PVDF, develops after PVA adsorption. This indicates that the shift in the nature of the highest occupied molecular orbital (HOMO) derived mostly from oxygen; simultaneously, a suppression in the PVDF derived band indicates the change in nature of the PVA adsorbed surfaces from hydrophobic to hydrophilic. The above observations also suggest an irreversible electronic interaction between PVA and PVDF, possibly through charge transfer.

}, issn = {1520-6106}, doi = {10.1021/jp050806r}, author = {Gholap, S. G. and Badiger, Manohar V. and Gopinath, Chinnakonda S.} } @article { ISI:000231397200071, title = {Morphological consequences of interchange reactions during solid state copolymerization in poly(ethylene terephthalate) and polycarbonate oligomers}, journal = {Polymer}, volume = {46}, number = {18}, year = {2005}, month = {AUG}, pages = {7443-7449}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Poly(ethylene terephthalate) (PET) (IV:0.15dL/g) oligomer was obtained by depolymerisation of high molecular weight PET. Polycarbonate (PC) oligomer (IV: 0. 15 dL/g) was synthesized by standard melt polymerization procedure using bisphenol A and diphenyl carbonate in the presence of a basic catalyst. Blends of varying compositions were prepared by melt blending the chemically distinct PET and PC oligomers. The copolymer, poly(ethylene terephthalate-co-bisphenol A carbonate) was synthesized by simultaneous solid state polymerization and ester-carbonate interchange reaction between the oligomers of PET and PC. The reaction was carried out under reduced pressure at temperatures below the melting temperature of the blend samples. DSC and WAXS techniques characterized the structure and morphology of the blends, while (NMR)-N-1 spectroscopy was used to monitor the progress of interchange reactions between the oligomers. The studies have indicated the amorphisation of the PET and PC crystalline phases in solid state with the progress of solid-state polymerization and interchange reaction. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {amorphization, poly(ethylene terephthalate), Polycarbonate}, issn = {0032-3861}, doi = {10.1016/j.polymer.2005.05.075}, author = {Gowd, EB and Ramesh, C} } @article { ISI:000230848700026, title = {Nature of manganese species in Ce1-xMnxO2-delta solid solutions synthesized by the solution combustion route}, journal = {Chemistry of Materials}, volume = {17}, number = {15}, year = {2005}, month = {JUL}, pages = {3983-3993}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0897-4756}, doi = {10.1021/cm050401j}, author = {Murugan, B. and Ramaswamy, A. V. and Srinivas, D. and Gopinath, Chinnakonda S. and Ramaswamy, V.} } @article { ISI:000226669000004, title = {New bis-andrographolide ether from androgphis paniculata nees and evaluation of anti-HIV activity}, journal = {Natural Product Research}, volume = {19}, number = {3}, year = {2005}, month = {APR}, pages = {223-230}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

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

}, keywords = {Acanthaceae, Andrographis paniculata, anti-HIV, bis-andrographolide ether, Cytotoxic activity}, issn = {1478-6419}, doi = {10.1080/14786410410001709197}, author = {Reddy, V. L. N. and Reddy, S. M. and Ravikanth, V. and Krishnaiah, P. and Goud, T. V. and Rao, T. P. and Ram, T. S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Venkateswarlu, Y} } @article { ISI:000233052200016, title = {O-H center dot center dot center dot O-bridged dimers linked via C-H center dot center dot center dot O and C-H center dot center dot center dot pi interactions in 4,6-di-O-benzyl-myo-inositol 1,3,5-orthoformate}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {61}, number = {11}, year = {2005}, month = {NOV}, pages = {O628-O630}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {0108-2701}, doi = {10.1107/S0108270105029422}, author = {Manoj, Kochunnoonny and Devaraj, Subramanian and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000227565800022, title = {Oxidative dehydrogenation of ethylbenzene over vanadia-alumina catalysts in the presence of nitrous oxide: structure-activity relationship}, journal = {Journal of Catalysis}, volume = {230}, number = {2}, year = {2005}, month = {MAR}, pages = {484-492}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {absorption edge energy, Alumina, ethylbenzene, Nitrous oxide, oxidative dehydrogenation, polyvanadates, styrene, vanadia}, issn = {0021-9517}, doi = {10.1016/j.jcat.2005.01.010}, author = {Shiju, N. R. and Anilkumar, Mettu and Mirajkar, Subhash P. and Gopinath, Chinnakonda S. and Rao, B. S. and Satyanarayana, C. V.} } @article { ISI:000226887500027, title = {Phase transitions in octanethiol-capped Ag nanocluster microfilm assemblies}, journal = {Thermochimica Acta}, volume = {426}, number = {1-2}, year = {2005}, month = {FEB}, pages = {207-212}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We describe phase transitions in microfilm assemblies of octanethiol (OT)-capped 2-4 nm-diameter Ag nanoclusters prepared from solutions with OT/Ag+ ratios of similar to50. Using DSC we observe two melting/crystallization-type reversible phase transitions: one at similar to61 degreesC due to interdigiated unattached octanethiol, and the other at similar to125 degreesC due to the phase comprised of the assembly of OT-capped nanoclusters. Increased thermal fluctuations weaken the inter-chain hydrophobic interactions between interdigitated OT molecules, leading to both phase transitions. The thiolate bond of OT-molecules bound to Ag nanoclusters are more rigid, thereby requiring a higher temperature to increase the flexibility of the alkyl chain of OT, and to melt the nanocluster assembly. The mobility of the nanoclusters in the melt is limited, and morphological features of the original assemblies are retained during recrystallization. No observable mass loss is detected up to similar to180 degreesC, above which OT molecules desorb from the Ag nanoclusters. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {differential thermal analysis, infrared spectroscopy, phase transitions, silver nanoclusters}, issn = {0040-6031}, doi = {10.1016/j.tca.2004.08.009}, author = {Ellis, A. and D{\textquoteright}Arcy-Galla, J. and Vijayamohanan, K. and Goswami, R. and Ganesan, P. G. and Ryu, C. and Ramanath, G.} } @article { ISI:000231365900024, title = {PNA C-C+ i-motif: superior stability of PNA TC8 tetraplexes compared to DNA TC8 tetraplexes at low pH}, journal = {Chemical Communications}, number = {34}, year = {2005}, month = {JUL}, pages = {4330-4332}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

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

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

}, keywords = {Cicer arietinum, Helicoverpa armigera, insect response, proteinase, Proteinase inhibitor}, issn = {0022-1910}, doi = {10.1016/j.jinsphys.2005.07.005}, author = {Srinivasan, A. and Chougule, Nanasaheb P. and Giri, Ashok P. and Gatehouse, J. A. and Gupta, Vidya S.} } @article { ISI:000228760300034, title = {Polymerization in surfactant liquid crystalline phases}, journal = {Chemistry of Materials}, volume = {17}, number = {9}, year = {2005}, month = {MAY}, pages = {2460-2465}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report the formation of cross-linked polysiloxane particles having rodlike and sheetlike morphologies by condensation of monomers in organized liquid crystalline mesophases of nonionic surfactants. The characteristic diffraction pattern obtained from the liquid crystalline surfactant assembly is preserved during polymer synthesis. The polymer colloids are rodlike when synthesized in a hexagonal mesophase and are sheetlike when synthesized in a lamellar mesophase. Interestingly, the size of the polymer particles is on the order of micrometers, viz. 3 orders of magnitude larger than the characteristic size of the surfactant mesophase. Thus, the polymers phase separate from the liquid crystalline phase during polymerization, and organize to resemble the mesophase geometry. The polymer particles are organized so as to minimize the elastic distortion of the surfactant mesophase after they phase separate. We speculate that the observed particle morphologies are formed due to the slow kinetics of polycondensation under our experimental conditions.

}, issn = {0897-4756}, doi = {10.1021/cm048240r}, author = {Wadekar, M. N. and Pasricha, R. and Gaikwad, A. B. and Kumaraswamy, Guruswamy} } @article { ISI:000232326700015, title = {Porous gold nanospheres by controlled transmetalation reaction: a novel material for application in cell imaging}, journal = {Chemistry of Materials}, volume = {17}, number = {20}, year = {2005}, month = {OCT}, pages = {5000-5005}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0897-4756}, doi = {10.1021/cm051165f}, author = {Shukla, Sourabh and Priscilla, Anie and Banerjee, Meenal and Bhonde, Ramesh R. and Ghatak, J. and Satyam, P. V. and Sastry, Murali} } @article { ISI:000228253200008, title = {Preparation of nanocrystalline ferroelectric BaNb(2)O6 by citrate gel method}, journal = {Bulletin of Materials Science}, volume = {28}, number = {2}, year = {2005}, month = {APR}, pages = {121-123}, publisher = {INDIAN ACADEMY SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {Ceramics, Chemical synthesis, electronic material, ferroelectricity, Oxides}, issn = {0250-4707}, doi = {10.1007/BF02704230}, author = {Gaikwad, S. P. and Samuel, V and Pasricha, R and Ravi, V} } @article { ISI:000230877900002, title = {Preparation of nanocrystalline ferroelectric CaBi2Ta2O9 by the urea method}, journal = {Ceramics International}, volume = {31}, number = {6}, year = {2005}, month = {JAN }, pages = {773-775}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A precipitate was formed when a aqueous solution of CaCl2, BiCl3, TaF5 and urea in stoichiometric ratio (total metal cations to urea ratio is 5) is heated on a water bath. This precipitate on decomposition at 600 degrees C yielded the nanocrystallites of ternary oxide CaBi2Ta2O9 (CBT) as confirmed by X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). Ferroelectric hysteresis loop parameters such as remnant polarization (P-r) and coercive field (E-C) were also determined. TEM investigations revealed that the average particle size of the polycrystalline powder is 70 nm. The room temperature dielectric constant was found to be 110. (c) 2004 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {dielectric properties, Electron microscopy, ferroelectric properties, powders : chemical preparation}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2004.08.011}, author = {Gaikwad, S. P. and Pasricha, R and Ravi, V} } @article { ISI:000227447800010, title = {Preparation of nanocrystalline ferroelectric CaBi2TaO9 by citrate gel method}, journal = {Materials Science and Engineering B-Solid State Materials for Advanced Technology}, volume = {117}, number = {2}, year = {2005}, month = {MAR}, pages = {159-161}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A gel was formed when an aqueous solution of CaCl2, BiCl3, TaF5 and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 600degreesC yielded the nano-crystallites of ternary oxide, CaBi2Ta2O9 (CBT) as confirmed by X-ray diffraction study (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). Ferroelectric hysteresis loop parameters such as remnant polarization (P-r) and coercive field (E-C) are also determined. TEM investigations revealed that the average particle size of the polycrystalline powder is 40 nm. The room temperature dielectric constant was found to be 90. (C) 2004 Elsevier B.V All rights reserved.

}, keywords = {Bismuth, diffraction, Electron microscopy}, issn = {0921-5107}, doi = {10.1016/j.mseb.2004.11.006}, author = {Gaikwad, S. P. and Pasricha, R and Ravi, V} } @article { ISI:000233616100001, title = {Proceedings of the National Conference on Nanoscience and Technology - Part II - Foreword}, journal = {Pramana-Journal of Physics}, volume = {65}, number = {5, SI}, year = {2005}, month = {NOV}, publisher = {INDIAN ACAD SCIENCES}, type = {Editorial Material}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0304-4289}, author = {Sood, AK and Ganesh, Krishna N. and Sundar, CS and Raychaudhuri, AK} } @article { ISI:000232886800001, title = {Proceedings of the National Conference on Nanoscience and Technology Part I - National Chemical Laboratory - Pune - 7-8 March 2005 - Foreword}, journal = {Pramana-Journal of Physics}, volume = {65}, number = {4, SI}, year = {2005}, month = {OCT}, pages = {547-548}, publisher = {INDIAN ACAD SCIENCES}, type = {Editorial Material}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0304-4289}, author = {Sood, AK and Ganesh, Krishna N. and Sundar, CS and Raychaudhuri, AK} } @article { ISI:000228698900038, title = {PVA stabilized gold nanoparticles by use of unexplored albeit conventional reducing agent}, journal = {Materials Chemistry and Physics}, volume = {92}, number = {1}, year = {2005}, month = {JUL}, pages = {229-233}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {Chemical synthesis, electronic materials, Nanostructures, Polymer}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.01.016}, author = {Khanna, P. K. and Gokhale, R. and Subbarao, V. V. V. S. and Vishwanath, A. K. and Das, B. K. and Satyanarayana, C. V. V.} } @article { ISI:000230522300022, title = {Quantitative method for normalization of transfection efficiency using enhanced green fluorescent protein}, journal = {Analytical Biochemistry}, volume = {342}, number = {2}, year = {2005}, month = {JUL}, pages = {341-344}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, issn = {0003-2697}, doi = {10.1016/j.ab.2005.02.006}, author = {Dandekar, D. H. and Kumar, M. and Ladha, J. S. and Ganesh, Krishna N. and Mitra, Debashis} } @article { ISI:000228575900026, title = {Ring-closing metathesis mediated total synthesis of microcarpalide and herbarumin III}, journal = {Arkivoc}, number = {3}, year = {2005}, month = {FEB}, pages = {237-257}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

Total synthesis of naturally occurring microcarpalide and herbarumin III are described. The ring-closing metathesis (RCM) approach to coin the medium sized rings present in their molecular structures form the basic premise of this investigation.

}, keywords = {herbarumin III, microcarpalide, microfilament, phosphodiesterase, ring-closing metathesis (RCM)}, author = {Gurjar, M. K. and Nagaprasad, R. and Ramana, C. V. and Karmakar, S. and Mohapatra, Debendra K.} } @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:000230909100041, title = {Self-assembly with degenerate prototropy}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {16}, year = {2005}, month = {AUG}, pages = {6461-6467}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, issn = {1528-7483}, doi = {10.1021/cg049621k}, author = {Manoj, Kochunnoonny and Sureshan, K. M. and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI: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: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: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: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: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 {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: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: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: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: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: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: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: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: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: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: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:000226847200018, title = {Tetrazine derived mononuclear Ru-II(acac)(2)(L)(1), [Ru-II(bpy)(2)(L)](ClO4)(2)(2) and [Ru-II(bpy)(L)(2)](ClO4)(2)(3) (L=3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine, acac = acetylacetonate, bpy=2,2 {\textquoteright}-bipyridine): syntheses, structures, spectra}, journal = {Polyhedron}, volume = {24}, number = {2}, year = {2005}, month = {JAN}, pages = {333-342}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Electrochemistry, redox, ruthenium-tetrazine, spectra, structure, synthesis}, issn = {0277-5387}, doi = {10.1016/j.poly.2004.11.019}, author = {Nayak, A. and Patra, S. and Sarkar, B. and Ghumaan, Sandeep and Puranik, Vedavati G. and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000228936300008, title = {Textural/structural, stability and morphological properties of mesostructured silicas (MCM-41 and MCM-48) prepared using different silica sources}, journal = {Catalysis Communications}, volume = {6}, number = {5}, year = {2005}, month = {MAY}, pages = {361-366}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of MCM-41 and MCM-48 samples have been synthesized under hydrothermal and static conditions using different silica sources (fumed silica, silica sot and ethyl silicate) and characterized by powder XRD, scanning electron microscopy and N-2 adsorption. The silica source reactivity trend observed was as: ethyl silicate \> fumed silica \> silica sot. However, the extent of contraction caused by calcination, magnitude of the wall thickness and stability were found to depend not only upon the type of silica source used but also on the type of structure formed. Noticeable morphological differences were observed in case of only MCM-41 when silica sources were varied. {\textcopyright} 2005 Elsevier B.V. All rights reserved.

}, issn = {1566-7367}, doi = {10.1016/j.catcom.2005.02.011}, author = {Gaydhankar, T. R. and Taralkar, U. S. and Jha, Ratnesh Kumar and Joshi, P. N. and Kumar, R} } @article { ISI:000230123500009, title = {Thermal degradation kinetics of polyesters containing mesogenic aromatic diols}, journal = {Journal Applied Polymer Science}, volume = {97}, number = {3}, year = {2005}, month = {AUG}, pages = {784-792}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A series of polyesters were synthesized by reacting structurally differing aromatic diols with either saturated (flexible) or unsaturated (rigid) dicarboxylic acid halide by a stirred interfacial polycondensation technique. Thermal degradation kinetics of these polyesters were investigated by applying Coats-Redfern and Horowitz-Metzger nonisothermal procedures. The dynamic thermogravimetry experiments were conducted in nitrogen to obtain differential thermogravimetric plots. Thermal stability of these polyesters was discussed on the basis of semiquantitative methods such as differential procedural decomposition temperature, integral procedural decomposition temperature, and fraction decomposition temperature (e.g., 10 \% DT). Degradation proceeded in multiple stages. The thermal degradation patterns and activation energies in these stages were discussed in relation to central bridging moieties of aromatic diol. The activation energies of these polyesters were found to be in the range of 100 to 200 kJ/mol. The effect of spacer type on activation energy was also reported. (c) 2005 Wiley Periodicals, Inc.

}, keywords = {Activation energy, Degradation, kinetics (polym.), Polycondensation, polyesters}, issn = {0021-8995}, doi = {10.1002/app.21587}, author = {Mule, Smita Atmaram and Ghadage, R. S. and Jacob, Nalini E. and Rajan, C. R. and Ponrathnam, Surendra} } @article { ISI:000232218700049, title = {Thermoreversible behavior of associating polymer solutions: thermothinning versus thermothickening}, journal = {Macromolecules}, volume = {38}, number = {20}, year = {2005}, month = {OCT}, pages = {8512-8521}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Self-assembling properties of poly(sodium acrylate) grafted with dodecyl [C12], PAAgC12, or poly(N-isopropylacrylamide) [PNIPA] side chains, PAAgPNIPA, were studied in unentangled semidilute aqueous solution. While PAAgC12 self-associates through hydrophobic interactions, the gelation of PAAgPNIPA is triggered by heating in response to the lower critical solution temperature of PNIPA (LCST similar to 32 degrees C). The local structure of the physical networks was investigated by small-angle neutron scattering, and the scattering patterns were described using a polydisperse sphere model taking into account hard-sphere interactions. This model allow us to draw a realistic picture of physical gels with quantitative information concerning the size of hydrophobic cores, the volume fraction of stickers in the aggregates, the fraction of stickers which take part in the aggregation process, the range of repulsive interactions, and the structural modifications induced by temperature. The description of the network is in good agreement with complementary data obtained from DSC and C-13 NMR. In the present work, a special emphasis has been given to the important relationship existing between the viscoelastic properties of associating polymer solutions and the binding energy of stickers leaving temporarily the micellar junction. Depending on the endothermic or exothermic nature of the disengagement process of the sticker (heat of demicellization), the relaxation time of the network and the viscoelastic properties will either decrease or increase with the temperature. The consequence is that aqueous solutions of PAAgC12 and PAAgPNIPA exhibit opposite rheological properties with the temperature, namely thermothinning and thermothickening. By mixing these two copolymers, we show that intermediate properties can be obtained but in that case a microphase-separated network is obtained as a result of copolymer segregation.

}, issn = {0024-9297}, doi = {10.1021/ma050786r}, author = {Hourdet, Dominique and Gadgil, Jayant and Podhajecka, K. and Badiger, Manohar V. and Brulet, A. and Wadgaonkar, P. P.} } @article { ISI:000232196200008, title = {TiO2 ceramic varistor modified with tantalum and barium}, journal = {Materials Science and Engineering B-Solid State Materials for Advanced Technology}, volume = {123}, number = {1}, year = {2005}, month = {NOV}, pages = {50-52}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The non-linear current (I)-voltage (V) characteristics of titanium dioxide doped with small quantities of tantalum and barium (99.9 TiO2 + 0.1 Ta and 99.4 TiO2 + 0.1 Ta + 0.5 Ba, all are in at.\%) were investigated. These samples have the non-linear coefficient (alpha) values of (20-30) with high breakdown voltages (E-B similar to 400-700 V mm(-1)). The pentavalent tantalum acts as donor and increases the electronic conductivity. The higher electrical conductivity and decrease in the breakdown field strength with barium addition is attributed to higher density. The acceptor like surface states formed by barium ions segregate to grain boundaries due size misfit to thereby modifying the electrical barrier characteristics of grain boundaries. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Oxides, TiO2, varistor, X-ray diffraction}, issn = {0921-5107}, doi = {10.1016/j.mseb.2005.06.015}, author = {Gaikwad, A. B. and Navale, SC and Ravi, V} } @article { ISI:000230613600002, title = {Unraveling biochemical properties of cockroach (Periplaneta americana) proteinases with a gel X-ray film contact print method}, journal = {Comparative Biochemistry and Physiology B-Biochemistry \& Molecular Biology}, volume = {141}, number = {3}, year = {2005}, month = {JUL}, pages = {261-266}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Eleven proteinase activity bands were detected in American cockroach (Periplaneta americana) gut. These were partially purified and characterized using a gel X-ray film contact print method. Cockroach gut proteinases (CGPs) show activity over a broad range of pH with maximum activity between pH 6 and 10, and optimal activity at 50-70 degrees C. CGPs were partially purified by preparative gel electrophoresis and analyzed using synthetic substrates and inhibitors. Four of the proteases exhibited chymotrypsin-like (C1 to C4) activity and seven trypsin-like (T I to T7) activity. Accuracy of the gel X-ray film contact print method is confirmed by including bovine chymotrypsin in CGP analysis. Inhibition of CGPs with different plant proteinaceous proteinase inhibitors allowed identification of potential CGP inhibitors. Our results imply that presence of several CGP activity bands, and their stability and activity over a broad pH and temperature range might contribute to adaptation of P americana to extreme environmental conditions and the polyphagous nature of the species. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {activity visualization, cockroach, gut enzymes, Periplaneta americana, plant proteinase inhibitors, Proteinases}, issn = {1096-4959}, doi = {10.1016/cbpc.2005.02.015}, author = {Hivrale, Vandana K. and Chougule, Nanasaheb P. and Chhabda, Pavan J. and Giri, Ashok P. and Kachole, M. S.} } @article { ISI:000231197500017, title = {Vanadium-containing ordered mesoporous silicas: synthesis, characterization and catalytic activity in the hydroxylation of biphenyl}, journal = {Applied Catalysis A - General}, volume = {290}, number = {1-2}, year = {2005}, month = {AUG}, pages = {148-158}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {biphenyl, heterogenity, MCM-41, Mesoporous molecular sieves, Vanadium}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.05.012}, author = {George, J. and Shylesh, S and Singh, AP} } @article { ISI:000229488700008, title = {Vapor phase oxidation of 4-fluorotoluene over vanadia-titania catalyst}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {234}, number = {1-2}, year = {2005}, month = {JUN}, pages = {51-57}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The vapor phase oxidation of 4-fluorotoluene has been carried out over vanadia-titania catalysts with moderate conversion and selectivity for 4-fluorobenzaldehyde. Two series of V2O5/TiO2 catalysts with 1-10 mol\% vanadia were prepared by sol-gel technique using vanadium and titanium peroxide as vanadia and titania precursors respectively and by impregnation technique using vanadium peroxide on anatase titania support. The samples were characterized by X-ray diffraction, NH3-TPD, FT-IR and BET surface area measurements. The XRD of the catalysts prepared by impregnation technique showed retention of the anatase titania whereas the catalysts prepared by sol-gel technique showed the formation of rutile titania with minor amount of anatase phase at lower vanadia content (1-3 \%), which completely transformed into anatase phase at higher vanadia loading. The samples prepared by sol-gel method showed higher acidity and surface area compared to the samples prepared by impregnation. Pyridine adsorption study by FT-IR revealed the presence of Lewis acidity at lower vanadia loading (1-3 \%) and presence of both Lewis as well as Bronsted acidity at higher vanadia loading. The catalytic activity for oxidation of 4-fluorotoluene increased with vanadia loading in the sol-gel catalysts. The catalysts prepared by impregnation technique were found to be less active. However the selectivity for 4-fluorobenzaldehyde decreased with increase in vanadia content. The influence of vanadia loading, reaction temperature and contact time on the catalytic activity for 4-fluorotoluene oxidation has been investigated. The structure of the catalyst and its catalytic activity has been correlated. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Catalyst, fluorotoluene, Oxidation, vanadia-titania, vapor phase}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.02.020}, author = {Maurya, S. K. and Patil, P. and Shubhangi B. Umbarkar and Gurjar, M. K. and Dongare, Mohan K. and Rudiger, S. and Kemnitz, E.} } @article { ISI:000227566200019, title = {Wet-chemical templateless assembly of metal nanowires from nanoparticles}, journal = {Chemical Communications}, number = {11}, year = {2005}, month = {JAN}, pages = {1435-1437}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We describe a new, simple, room-temperature wet-chemical approach for assembling Au and Ag nanoparticles into nanowire networks, without the use of lithographic templates. Five to 35 nm-diameter nanowires passivated with a thin organic layer were synthesized by mechanically agitating a biphasic liquid mixture of an aqueous hydrosol containing the nanoparticles, and toluene. Nanowire structure and surface chemistry are discussed based on electron microscopy, UV-visible spectroscopy and thermogravimetric analyses.

}, issn = {1359-7345}, doi = {10.1039/b414447n}, author = {Maddanimath, Trupti and Kumar, Anil and D{\textquoteright}Arcy-Galla, J. and Ganesan, P. G. and Vijayamohanan, K. and Ramanath, G.} } @article { ISI:000232354200011, title = {X-ray crystallographic studies on C-phycocyanins from cyanobacteria from different habitats: marine and freshwater}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {61}, number = {9}, year = {2005}, month = {SEP}, pages = {844-847}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1744-3091}, doi = {10.1107/S1744309105025649}, author = {Satyanarayana, L. and Suresh, C. G. and Patel, A. and Mishra, Satyendra and Ghosh, P. K.} } @article { ISI:000236119700018, title = {2,4,6-tris(2-pyridyl)-1,3,5-triazine (tptz)-derived [Ru-II(tptz)(acac)(CH3CN)](+) and mixed-valent [(acac)(2)Ru-III{(mu-tptz-H+)(-)}Ru-II(acac)(CH3CN)](+)}, journal = {Inorganic Chemistry}, volume = {45}, number = {6}, year = {2006}, month = {MAR}, pages = {2413-2423}, type = {Article}, abstract = {

Mononuclear [Ru-II(tptz)(acac:)(CH3CN)]ClO4 ((ClO4)-Cl-[1]) and mixed-valent dinuclear [(acac)(2)Ru-III{(mu-tptz-H+)(-)}Ru-II(acac)(CH3CN)]ClO4 ([5]ClO4; acac = acetylacetonate) complexes have been synthesized via the reactions of Ru-II(acac)2(CH3CN)(2) and 2,4,6-tris(2-pyridyl)-1,3,5-triazine (tptz), in 1:1 and 2:1 molar ratios, respectively. In [1]ClO4, tptz binds with the Ru-II ion in a tridentate N,N,N mode (motif A), whereas in [5]ClO4, tptz: bridges the metal ions unsymmetrically via the tridentate neutral N,N,N mode with the Ru-II center and cyclometalated N,C- state with the Ru-III site (motif F). The activation of the coordinated nitrile function in [1]ClO4 and [5]ClO4 in the presence of ethanol and alkylamine leads to the formation of iminoester ([2]ClO4 and [7]ClO4) and amidine ([4]ClO4) derivatives, respectively. Crystal structure analysis of [2]ClO4 reveals the formation of a beautiful eight-membered water cluster having a chair conformation. The cluster is H-bonded to the pendant pyridyl ring N of tptz and also with the O atom of the perchlorate ion, which, in turn, makes short (C-H{\textendash}{\textendash}-O) contacts with the neighboring molecule, leading to a H-bonding network. The redox potentials corresponding to the (RuI)-I-I state in both the mononuclear {[(acac)(tptz)Ru-II-N=-C-CH3]ClO4 ([1]ClO4) \>\> [(acac)(tptz)Ru-II-NH=C(CH3)-OC2H5]ClO4 ([2]ClO4) \> [(acac)(tptz)(RuNH2)-N-II-C6H4(CH3)]ClO4 ([3]ClO4) \> [(acac)(tptz)Ru-II-NH=C(CH3)-NHC2H5]ClO4 ([4]ClO4)} and dinuclear {[(acac)(2)Ru-III-{mu-tptz-H+)(-)}Ru-II(acac)(N equivalent to C-CH3)]ClO4 {(mu-tptz-H+)(-)}Ru-II(acac)(N equivalent to C-CH3)]ClO4 ([5]ClO4), [(acac)(2)Ru-III[(mu-tptz-H+(N-O ([6]ClO4), [(acac)(2)Ru-III{(mu-tptz-H+)(-)}Ru-II(acac)(NH=C(CH3)-OC2H5)]ClO4( [7]ClO4), and [(acac)(2)Ru-III{(mu-tptz-H+)(-)}Ru-II(acac)(NC4H4N)]ClO4 ([8]ClO4), complexes vary systematically depending on the electronic nature of the coordinated sixth ligands. However, potentials involving the Ru-III center in the dinuclear complexes remain more or less invariant. The mixed-valent (RuRuIII)-Ru-II species ([5]ClO4-[8]ClO4) exhibits high comproportionation constant (K-c) values of 1.1 X 10(12)-2 x 109, with substantial contribution from the donor center asymmetry at the two metal sites. Complexes display Ru-II- and Ru-III-based metal-to-ligand and ligand-to-metal charge-transfer transitions, respectively, in the visible region and ligand-based transitions in the UV region. In spite of reasonably high K, values for [5]ClO4[8]ClO4, the expected intervalence charge-transfer transitions did not resolve in the tpical near-IR region up to 2000 nm. The paramagnetic (RuRuIII)-Ru-II species ([5]ClO4-[8]ClO4) displays rhombic electron paramagnetic resonance (EPR) spectra at 77 K (\< g \> similar to 2.15 and Delta g similar to 0.5), typical of a low-spin Ru-III ion in a distorted octahedral environment. The one-electron-reduced tptz complexes [RuII(tptz center dot-)(acac)(CH3CN)] (1) and [(acac)(2)Ru-III{mu-tptz-H+)(center dot 2-)}-Ru-II(acac)(CH3CN)] (5), however, show a free-radical-type EPR signal near g = 2.0 with partial metal contribution.

}, doi = {10.1021/ic0514288}, author = {Ghumaan, Sandeep and Kar, S. and Mobin, Shaikh M. and Harish, B. and Puranik, Vedavati G. and Lahiri, Goutam Kumar} } @article { ISI:000239326400010, title = {On the {\textquoteleft}{\textquoteleft}Active spacer and stabilizer{\textquoteright}{\textquoteright} role of Zn in Cu1-xZnxFe2O4 in the selective mono-N-methylation of aniline: XPS and catalysis study}, journal = {Journal of Catalysis}, volume = {241}, number = {1}, year = {2006}, month = {JUL}, pages = {83-95}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

A systematic catalytic methylation study on ferrospinel materials led to the selective production of N-methylaniline (NMA) with Cu1-xZnxFe2O4. Aniline methylation was carried out on Cu1-xZnxFe2O4 with a feed composition of CH3OH:PhNH2:H2O = 3:1:1 at 513-633 K. NMA was formed selectively on all of the catalyst compositions, with trace amounts of secondary products under most of the conditions. Cu0.5Zn0.5Fe2O4 composition showed high catalytic activity and stability up to 100 h. Although the Cu2+ was responsible for methylation activity, Zn2+ enhanced the overall stability of the catalyst system. XPS investigations revealed that the degree of Cu2+ reduction decreased dramatically from x = 0.05/0.25 to 0.5/0.75 on spent catalysts. TPR studies indicated that the reducibility of Cu2+ decreased from fully reducible at 523 K with Cu-rich compositions to partially reducible at 573 K on x = 0.5. Stable activity observed on Cu0.5Zn0.5Fe2O4 can be attributed to the highly heterogeneous distribution of metal ions. This heterogeneous distribution indicates an important role of zinc, likely as an {\textquoteleft}{\textquoteleft}active spacer cum stabilizee{\textquoteright} that hinders the reduction of active Cu2+ and contributes to prolonged activity. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {Aniline, Ferrite, N-methylaniline, N-methylation, spacer, stabilizer, surface distribution, TPR, XPS}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.04.010}, author = {Vijayaraj, Munusamy and Gopinath, Chinnakonda S.} } @article { ISI:000237835100010, title = {Adsorption of octadecyltrichlorosilane on mesoporous SBA-15}, journal = {Applied Surface Science}, volume = {252}, number = {12}, year = {2006}, month = {APR}, pages = {4097-4103}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Adsorption, OTS, SBA-15, Self-assembly, thermal stability}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2005.06.009}, author = {Mirji, S. A. and Halligudi, Shivaraj B. and Sawant, Dhanashri P. and Jacob, Nalini E. and Patil, K. R. and Gaikwad, A. B. and Pradhan, S. D.} } @article { ISI:000240393500018, title = {Analysis of single PEM fuel cell performances based on current density distribution measurement}, journal = {Journal of Fuel Cell Science and Technology}, volume = {3}, number = {3}, year = {2006}, note = {1st Conference on European Fuel Cell Technology and Applications (EFC2005), Rome, ITALY, DEC 14-16, 2005}, month = {AUG}, pages = {351-357}, publisher = {Univ Perugia; Italian Agcy New Technol \& Environm; Amer Soc Mech Engineers}, type = {Article}, address = {THREE PARK AVE, NEW YORK, NY 10016-5990 USA}, abstract = {

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

}, keywords = {current density distribution, fuel cell performance, PEFC}, issn = {1550-624X}, doi = {10.1115/1.2173664}, author = {Ghosh, P. C. and Wuester, T. and Dohle, H. and Kimiaie, N. and Mergel, J. and Stolten, D.} } @article { ISI:000241492900018, title = {Autoreduction of cyanoferrate(III) ions in a polymer electrolyte membrane: all solid state electrochemical and spectroscopic investigations}, journal = {Chemistry of Materials}, volume = {18}, number = {22}, year = {2006}, month = {OCT}, pages = {5244-5252}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The effect of dielectric confinement on proton-coupled electron-transfer behavior and spectroscopic properties of cyanoferrate ions in a polymer electrolyte membrane (Nafion) has been investigated in an {\textquoteleft}{\textquoteleft}all-solid-state{\textquoteright}{\textquoteright} electrochemical cell, using techniques such as cyclic voltammetry, zero current chronopotentiometry, electrochemical impedance, diffuse reflectance infrared Fourier transform spectroscopy (DRIFT), UV-visible spectroscopy, X-ray photoelectron spectroscopy (XPS), and electron spin resonance spectroscopy (ESR). From the above investigations, we found that cyanoferrate(III) ions undergo autoreduction in the ionomer matrix, for which a sulfonate-coupled mechanism has been proposed. This report demonstrates the effectiveness of the micellar interface in tuning the redox potential of the confined ions. A systematic analysis of the cyclic voltammetry and impedance data for the [Fe(CN)(6)](4)(-)- containing Nafion membrane enables the estimation of a standard rate constant for [Fe(CN) 6](4-) oxidation, k(o), as 5.44 x 10(-6) cm/s and a diffusion coefficient, D-o, as 1.3 x 10(-12) cm(2)/s. A similar calculation yields a value of 4.8 x 10(-12) cm(2)/s for the diffusion coefficient of protons and 9.1 x 10(-6) cm/s for the standard rate constant for hydrogen oxidation. The similarity in mass-transfer coefficients calculated for protons and [Fe(CN)(6)](4-) ions suggests a proton-coupled electron-transfer mechanism for the [Fe(CN)(6)](4-)/[Fe(CN)(6)](3-) couple. The results of the above investigations could have direct technological relevance for deciding catalyst materials having redox compatibility with the polymer electrolyte, especially in the preparation of catalyst-coated membranes (wherein the fuel-cell catalyst is directly coated onto the polymer membrane instead of on the carbon support).

}, issn = {0897-4756}, doi = {10.1021/cm061444i}, author = {Parthasarathy, Meera and Gopinath, Chinnakonda S. and Pillai, Vijayamohanan K.} } @article { ISI:000241426600022, title = {Binding of T-antigen disaccharides to artocarpus hirsuta lectin and jacalin are energetically different}, journal = {Photochemistry and Photobiology}, volume = {82}, number = {5}, year = {2006}, month = {SEP}, pages = {1315-1318}, publisher = {AMER SOC PHOTOBIOLOGY}, type = {Article}, address = {BIOTECH PARK, 1021 15TH ST, SUITE 9, AUGUSTA, GA 30901-3158 USA}, abstract = {

The thermodynamics of binding of Me-alpha-GalNAc, Gal-beta-1-3GalNAc-alpha-O-Me (T-antigen-alpha), Gal-beta-1-3GalNAc and Gal-alpha-1-6Glc (mellibiose) to Artocarpus hirsuta lectin was studied using fluorescence spectroscopy. The binding affinities of the saccharides are in the order Gal-beta-1-3GalNAc-alpha-O-Me \> Me-alpha-GalNAc \> Me-alpha-Gal \> Gal-beta-1-3GalNAc \> Gal-alpha-1-6Glc. The binding affinities were comparable to those for jacalin. However, binding of the saccharides to the A. hirsuta lectin was not affected as strongly by temperature as observed in jacalin and the trend was found to be reversed. Values for Delta H and Delta S were found to be positive in A. hirsuta lectin-disaccharide binding despite similar binding affinities. Thus, with 99\% structural and 96\% sequence homology, with similar sugar specificity and affinity, the energetics of the disaccharide binding of the two lectins seem to be different. Me-alpha-GalNAc binding to A. hirsuta lectin is enthalpically driven, because the association constant decreases with increasing temperature. However, the binding of the T-antigen disaccharides and mellibiose disaccharides to the lectin is entropically driven. The difference in the molecular associations in the packing and variation of the C-terminal length of the P chain of the A. hirsuta lectin could be reflected in the different disaccharide binding energetics.

}, issn = {0031-8655}, doi = {10.1562/2006-05-04-RN-892}, author = {Gaikwad, Sushama M. and Khan, Mohammad Islam} } @article { ISI:000241010400014, title = {Characterization of Cd1-xZnxSe thin films deposited at low temperature by chemical route}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {17}, number = {12}, year = {2006}, month = {DEC}, pages = {1055-1063}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Optoelectronic technologically important pseudo-binary Cd1-xZnxSe thin films with a variable composition ( 0 \< x \< 1) has been developed by chemical bath deposition method. The objective to study growth kinetics, physical, microscopic, compositional, optical, electrical and structural changes. Cd1-xZnxSe have been deposited on non-conducting glass substrate in tartarate bath containing Cd+2 and Zn+2 ions with sodium selenosulphate with an aqueous alkaline medium at 278 K. The quality and the thickness of the films are depends upon deposition temperature, deposition time and pH, etc. X-ray diffraction (XRD), atomic absorption spectroscopy, optical absorption, scanning electron microscopy and thermoelectric technique characterized the films. The XRD study indicates the polycrystalline nature in single cubic phase over whole range of composition. Analysis of absorption spectra gave direct type band gap, the magnitude of which increases non-linearly as zinc content in the film is increased and dc electrical conductivity at room temperature was found to decreases from 10(-7) to 10(-8) (Omega cm)(-1). All the films show n-type conductivity. The promising features observed are the formation of continuous solid solutions in a single cubic phase.

}, issn = {0957-4522}, doi = {10.1007/s10854-006-9034-2}, author = {Hankare, P. P. and Chate, P. A. and Asabe, M. R. and Delekar, S. D. and Mulla, Imtiaz S. and Garadkar, K. M.} } @article { ISI:000235860500029, title = {Chemical methods to synthesize FeTiO3 powders}, journal = {Materials Letters}, volume = {60}, number = {11}, year = {2006}, month = {MAY}, pages = {1425-1427}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Three different techniques were used to synthesize FeTiO3 powders. The first method is simple coprecipitation of both Fe and Ti ions under basic conditions using standard ammonia solution from aqueous ferric nitrate and titanium oxy chloride. This precipitate on heating at 400 degrees C produces ilmenite phase. The second method is to digest hydroxide precipitates at 100 degrees C to form FeTiO3 phase. The third technique is to make use of citrate process to form FeTiO3 powders. The phase contents and lattice parameters were Studied by powder X-ray diffraction (XRD). Particle size and morphology were studied by Transmission Electron Microscopy (TEM). (c) 2005 Elsevier B.V. All tights reserved.

}, keywords = {Chemical synthesis, Electron microscopy, electronic materials, X-ray methods}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.11.041}, author = {Mona, J. and Kale, Sangeeta N. and Gaikwad, A. B. and Murugan, A. Vadivel and Ravi, V.} } @article { ISI:000239818300010, title = {Clay-mediated selective hydrolysis of 5 {\textquoteleft}-O-acetyl-2 {\textquoteleft},3 {\textquoteleft}-isopropylidene/cyclohexylidene nucleosides}, journal = {Synthetic Communications}, volume = {36}, number = {16}, year = {2006}, month = {AUG}, pages = {2321-2327}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A generalized procedure for the selective hydrolysis of 5{\textquoteright}O-acetyl-2{\textquoteright},3{\textquoteright}-isopropylidene/cyclohexylidene nucleosides with a solid catalyst, Montmorillonite K-10 in refluxing methanol, to furnish 5{\textquoteright}-O-acetyl-nucleosides is described.

}, keywords = {5-O-acetylnucleosides, isopropylidene-nucleoside hydrolysis, montmorillonite K 10}, issn = {0039-7911}, doi = {10.1080/00397910600639968}, author = {Gurjar, Mukund K. and Mondal, Dhananjoy and Ravindranadh, S. V. and Chorghade, Mukund S.} } @article { ISI:000207781603334, title = {COLL 613-Studies on the vapor-phase photo-oxidation of methanol over nano-size titania clusters dispersed in MCM-41 mesoporous silica}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {232}, year = {2006}, month = {SEP}, pages = {613-COLL}, publisher = {AMER CHEMICAL SOC}, type = {Meeting Abstract}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0065-7727}, author = {Kumar, Dharmesh and Bhattacharyya, Kaustav and Tripathi, Arvind and Varma, Salil and Gupta, Narendra M.} } @article { ISI:000236523100094, title = {Comment on {\textquoteleft}{\textquoteleft}Photoelectron spectroscopic investigation of nitrogen-doped titania nanoparticles{\textquoteright}{\textquoteright}}, journal = {Journal of Physical Chemistry B}, volume = {110}, number = {13}, year = {2006}, month = {APR}, pages = {7079-7080}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {1520-6106}, doi = {10.1021/jp054495w {\textperiodcentered}}, author = {Gopinath, Chinnakonda S.} } @article {Li, title = {Conjugate addition of a silyl ketene acetal to alpha,beta-unsaturated lactones}, journal = {Synthetic Communications}, volume = {36}, number = {7}, year = {2006}, note = {International Conference on Nanomaterials (NANO 2005), Mepco Schlenk Engn Coll, Sivakasi, INDIA, JUL 13-15, 2005}, month = {AUG}, pages = {885-890}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

{Conjugate addition of a silyl ketene acetal [

}, keywords = {acetals, deprotection, MoO3/SiO2, protection}, issn = {0039-7911}, doi = {10.1080/00397910500466058}, author = {Gnaneshwar, Rudhramyna and Sivaram, S} } @article { ISI:000241906100003, title = {Construction of enantiopure pyrrolidine ring system via asymmetric [3+2]-cycloaddition of azomethine ylides}, journal = {Chemical Reviews}, volume = {106}, number = {11}, year = {2006}, month = {NOV}, pages = {4484-4517}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0009-2665}, doi = {10.1021/cr050011g}, author = {Pandey, Ganesh and Banerjee, Prabal and Gadre, Smita R.} } @article { ISI:000236960600013, title = {Contrasting solid-state structures of trithiocyanuric acid and cyanuric acid}, journal = {Crystal Growth \& Design}, volume = {6}, number = {4}, year = {2006}, month = {APR}, pages = {846-848}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Although trithiocyanuric acid (TTCA) has been investigated widely as an agent in the formation of molecular cocrystals, the crystal structure of pure TTCA has never been determined. Attempts to grow crystals of pure TTCA by crystallization from solution invariably lead to the formation of solvate cocrystals, and desolvation of these materials leads to polycrystalline powder samples. In this paper, we report the structure determination of pure TTCA directly from powder X-ray diffraction data, using the direct-space genetic algorithm technique for structure solution followed by Rietveld refinement. The structure presents interesting contrasts to that of the oxygen analogue, cyanuric acid, and alludes to the possibility that both compounds might be capable of exhibiting polymorphism.

}, issn = {1528-7483}, doi = {10.1021/cg0601094}, author = {Guo, F. and Cheung, E. Y. and Harris, Kenneth D. M. and Pedireddi, V. R.} } @article { ISI:000237886100006, title = {Convenient chemoenzymatic synthesis of (1S,7aS)-1-hydroxy-5-oxo-4-(2 {\textquoteleft}-carboxyethyl)-7a-methyltetrahydro-indane - a key intermediate of steroids}, journal = {Journal of Molecular Catalysis B-Enzymatic}, volume = {40}, number = {1-2}, year = {2006}, month = {MAY}, pages = {38-43}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A porcine pancreatic lipase mediated enzymatic hydrolysis of (+/-)-1-acetoxy-5-oxo-4-(2 {\textquoteleft}-carbomethoxyethyl)-7a-methyltetrahydroindane (5b) furnished (1S,7aS)-1-acetoxy-5-oxo-4-(2 {\textquoteleft}-carbomethoxyethyl)-7a-methyltetrahydro-indane (9) and (1R,7aR)-1-hydroxy-5-oxo-4-(2 {\textquoteleft}-carbomethoxyethyl)-7a-methyltetrahydro-indane (8) with \> 99\% e.e. which on further chemical hydrolysis gave 1 and ent-1, key intermediates of steroids. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {chemoenzymatic method, Enzymatic hydrolysis, steroids, terpenoids}, issn = {1381-1177}, doi = {10.1016/j.molcatb.2006.01.037}, author = {Kalkote, Uttam R. and Purude, A. N. and Puranik, Vedavati G. and Gurjar, M. K.} } @article { ISI:000234951400014, title = {Coprecipitation technique to prepare LiTaO3 powders}, journal = {Materials Letters}, volume = {60}, number = {8}, year = {2006}, month = {APR}, pages = {1047-1048}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple coprecipitation technique had been successfully applied for the preparation of pure ultrafine single phase LiTaO3 (LT). An aqueous mixture of ammonium carbonate and ammonium hydroxide was used to precipitate Li+ and Ta5+ cations as carbonate and hydroxide respectively. This precursor oil heating at 750 degrees C produces LT powders. For comparison, LT powders were also prepared by the traditional solid state method. The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD). Particle size and morphology were studied by transmission electron spectroscopy (TEM). (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.10.074}, author = {Navale, SC and Gaikwad, A. B. and Ravi, V} } @article { ISI:000237439300005, title = {Coprecipitation technique to prepare NaNbO3 and NaTaO3}, journal = {Bulletin of Materials Science}, volume = {29}, number = {2}, year = {2006}, month = {APR}, pages = {123-125}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

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

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

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

}, keywords = {Ceramics, Electron microscopy, ferroelectricity, Oxides, X-ray diffraction}, issn = {0250-4707}, doi = {10.1007/BF02706488}, author = {Murugan, A. Vadivel and Gaikwad, A. B. and Samuel, V. and Ravi, V.} } @article { ISI:000245010200010, title = {Differentially expressed gene transcripts in roots of resistant and susceptible chickpea plant (Cicer arietinum L.) upon Fusarium oxysporum infection}, journal = {Physiological and Molecular Plant Pathology}, volume = {68}, number = {4-6}, year = {2006}, month = {APR}, pages = {176-188}, publisher = {ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD}, type = {Article}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

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

}, keywords = {cDNA-AFLP, Chickpea, Cicer arietinum, differentially expressed genes, fusarium oxysporum, Transcriptome}, issn = {0885-5765}, doi = {10.1016/j.pmpp.2006.10.003}, author = {Nimbalkar, Suhas B. and Harsulkar, Abhay M. and Giri, Ashok P. and Sainani, Mohini N. and Franceschi, Vincent R. and Gupta, Vidya S.} } @article { ISI:000239289800024, title = {Double intramolecular oxymercuration: stereoselective synthesis of highly substituted bis-tetrahydrofuran}, journal = {Tetrahedron Letters}, volume = {47}, number = {33}, year = {2006}, month = {AUG}, pages = {5943-5947}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Stereoselective intramolecular oxymercuration has been demonstrated as the key reaction for the efficient preparation of mono- and dihydroxylated unsymmetrical bis-tetrahydrofuran skeletons present in naturally occurring biologically active acetogenins using carbohydrates. These trans- and syn-selective intramolecular oxymercurations were explored in an enantio selective synthesis of the bis-tetrahydrofuran skeleton of mucoxin. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {acetogenins, Barton-McCombie deoxygenation, demercuration, intramolecular oxymercuration, unsymmetrical bis-tetrabydrofuran, Wittig reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.06.049}, author = {Mohapatra, Debendra K. and Mohapatra, Seetaram and Gurjar, Mukund K.} } @article { ISI:000238491100062, title = {Effect of calcination cycles on the preparation of tin oxide based traditional drug: studies on its formation and characterization}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {41}, number = {4}, year = {2006}, month = {JUN}, pages = {1473-1478}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The preparation method of metal based Indian traditional drugs involves conversion of a pure metal into its oxide by repeated high temperature calcination cycles. In this work, the effect of number of calcination cycles followed in the preparation of tin oxide based Ayurvedic drug, {\textquoteleft}vanga bhasma{\textquoteright} was studied by a systematic characterization of the drug samples after various calcination stages. It was found that tin was in the form of Sn4+ state and that the formation of SnO2 proceeded step-wise through Sn(OH)(4). (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {calcination cycles, Oxidation, oxidation state of tin, Particle size, tin oxide, vanga bhasma}, issn = {0731-7085}, doi = {10.1016/j.jpba.2006.03.032}, author = {Wadekar, M. P. and Rode, C. V. and Bendale, Y. N. and Patil, K. R. and Gaikwad, A. B. and Prabhune, Asmita} } @article { ISI:000238110300002, title = {Effect of organic additives on the mitigation of volatility of 1-nitro-3,3 {\textquoteleft}-dinitroazetidine (TNAZ): next generation powerful melt cast able high energy material}, journal = {Journal of Hazardous Materials}, volume = {134}, number = {1-3}, year = {2006}, month = {JUN}, pages = {8-18}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {melt castable explosive, morphological structure, synthesis, Thermolysis, trinitroazetidine (TNAZ), volatility behavior}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2003.10.008}, author = {Talawar, M. B. and Singh, Alok and Naik, N. H. and Polke, B. G. and Gore, G. M. and Asthana, S. N. and Gandhe, B. R.} } @article { ISI:000240781100009, title = {Effect of spacer groups on the performance of MCM-41-supported platinum cluster-derived hydrogenation catalysts}, journal = {Journal of Catalysis}, volume = {242}, number = {2}, year = {2006}, month = {SEP}, pages = {332-339}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

MCM-41 was functionalized with (EtO)(3)SiCH2Cl, (MeO)(3)SiCH2CH2CH2Cl, and (CH3)Cl2SiCH2Cl. The functionalized materials were characterized by solid-state NMR (CPMAS, Si-29 and C-13) and XPS. The NMR data indicate that three new silicon environments were created by(EtO)(3)SiCH2Cl and (MeO)(3)SiCH2CH2CH2Cl, whereas with (CH3)Cl2SiCH2Cl, two new silicon environments were obtained. XPS results from Si 2p core level and the valence band from the material functionalized by (MeO)(3)Si(CH2)(3)Cl was found to be the same as that of the corresponding fresh catalyst (1a), in contrast to that of the materials functionalized by the other two silane reagents. After further functionalization with triethylamine, these materials were used as inorganic anion exchangers to support the cluster anion [Pt-12(CO)(24)](2-). Solid-state NMR (29Si, C-13, N-15) was used to establish the presence of the quaternary ammonium group in the cluster-supported species. Analogous materials were also created using fumed silica as the support, and all of the cluster-supported materials were tested as catalysts for the hydrogenation of methyl pyruvate, acetophenone, nitrobenzene, benzonitrile, ethylacetoacetate, 4-nitrotoluene, cyclohexanone, allyl alcohol, and styrene. The best activity was obtained for the catalyst that had MCM-41 as the support and chloropropyl as the spacer group. TEM showed that the supports and the spacer groups had observable effects on the platinum crystallite size of the catalysts. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {functionalized inorganic oxides, hydrogenation catalysts, MCM-41, platinum carbonyl cluster, Solid-state NMR, spacer groups, XPS}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.06.016}, author = {Maity, Niladri and Basu, Susmit and Mapa, Maitri and Rajamohanan, Pattuparambil R. and Ganapathy, Subramanian and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article {42616, title = {Efficient amano PS-catalyzed chemo-, regio- and enantioselective hydrolysis of (+/-)-2,3-di-O-acetyl-2-C-methyl-D-erythrono-1,4-lactone: a facile preparation of bioactive natural products (-)-saccharinic acid lactone and potassium (2R,3R)-2,3,4-trihydr}, journal = {Tetrahedron-Asymmetry}, volume = {17}, year = {2006}, month = {MAR}, pages = {927-932}, type = {Article}, doi = {10.1016/j.tetasy.2006.02.025}, author = {Gogoi, Sanjib and N. P. Argade} } @article { ISI:000244831800017, title = {Electrochemical polymerization of o-anisidine on low carbon steel from aqueous salicylate solution: corrosion protection study}, journal = {Surface \& Coating Technology}, volume = {201}, number = {6}, year = {2006}, month = {DEC}, pages = {2240-2247}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The electrochemical polymerization of o-anisidine was carried out on low carbon steel from an aqueous salicylate medium using cyclic voltammetry. The resulting poly(o-anisidine) coatings were uniform and adherent to the steel substrates. These coatings were characterized by cyclic voltammetry, LTV-visible absorption spectroscopy, Fourier transform infrared spectroscopy, X-ray diffraction measurements and scanning electron microscopy. The ability of the poly(o-anisidine) coatings to protect low carbon steel in an aqueous 3\% NaCl was evaluated by the potentiodynamic polarization measurements. The potentiodynamic polarization measurement reveals that the poly(o-anisidine) coating increases the corrosion potential and reduces the corrosion rate of low carbon steel almost by a factor of 15. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Conducting polymer coatings, corrosion protective coatings, cyclic voltammetry, Electrochemical polymerization, low carbon steel, poly(o-anisidine) coatings}, issn = {0257-8972}, doi = {10.1016/j.surfcoat.2006.03.028}, author = {Wankhede, M. G. and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000243335700022, title = {Electrochemical synthesis of corrosion protective polyaniline coatings on mild steel from aqueous salicylate medium}, journal = {Science and Technology of Advanced Materials}, volume = {7}, number = {7}, year = {2006}, month = {OCT}, pages = {732-744}, publisher = {NATL INST MATERIALS SCIENCE}, type = {Article}, address = {NATL INST MATERIALS SCIENCE, 1-2-1 SENGEN, TSUKUBA-CITY, IBARAKI, 305-0047, JAPAN}, abstract = {

Strongly adherent polyaniline coatings were electrochemically synthesized on mild steel from an aqueous salicylate medium. These coatings were characterized by cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy. The extent of the corrosion protection offered by polyaniline coatings to mild steel was investigated in aqueous 3\% NaCl solution, 0.01 M Na2SO4 Solution and in aqueous solutions of NaCl + Na2SO4 with different concentrations by potentiodynamic polarization technique and electrochemical impedance spectroscopy (EIS). The results of these studies reveal that the corrosion resistance of the polyaniline-coated mild steel is significantly higher and the corrosion rate is considerably lower than that of uncoated steel. (c) 2006 Published by NIMS and Elsevier Ltd.

}, keywords = {Conducting polymer coatings, corrosion protective coatings, cyclic voltammetry, Electrochemical polymerization, polyaniline coatings mild steel}, issn = {1468-6996}, doi = {10.1016/j.stam.2006.09.014}, author = {Pawar, Pritee and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000235860500014, title = {Electron beam induced surface cross-linking of functional monomers coated on silicon substrate}, journal = {Materials Letters}, volume = {60}, number = {11}, year = {2006}, month = {MAY}, pages = {1360-1365}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A 3: 1 composition of functional monomer: multifunctional acrylate was spin coated and later cross-linked under the influence of keV electron irradiation on the surface of silicon to generate a surface-anchored cross-linked network bearing functional moieties. Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) as well as wetting angle measurements were used for the analysis of functional monomer cross-linked surfaces. Results of the surface reconstruction of surfaces and electron irradiated on coated silicon wafers reveal that long-term hydrophilic surfaces can be achieved. Thus, the surface architecture can be favorably manipulated by using this remarkable technique with a Suitable combination of functional monomers and cross-linkers. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {electron beam irradiation, FTIR, Polymers, surface modification, XPS}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.11.029}, author = {Mahapatra, S. K. and Bodas, Dhananjay S. and Mandale, A. B. and Gangal, S. A. and Bhoraskar, Vasant N.} } @article { ISI:000238412100062, title = {Exfoliation-induced nanoribbon formation of poly(3,4-ethylene dioxythiophene) PEDOT between MoS2 layers as cathode material for lithium batteries}, journal = {Journal of Power Sources}, volume = {156}, number = {2}, year = {2006}, month = {JUN}, pages = {615-619}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A new type of layered nanocomposite synthesized by delaminated MoS2 nanosheets and poly(3,4-ethylenedioxythiophene) (PEDOT) are restacked to produce alternate polymer nanoribbons between layers Of MoS2 with an interlayer distance of similar to 1.38 nm. The unique properties of resulting nanocomposite are investigated by powder XRD, XPS, SEM, TEM, and four-probe conductivity measurements. The obtained nanocomposite can be used as a cathode material for a small power rechargeable lithium battery as demonstrated by the electrochemical insertion of lithium into the PEDOT/MoS2 nanocomposite. A significant enhancement in the discharge capacity (100 mAh g(-1)) is observed compared with that (40 mAh g(-1)) for MoS2. (c) 2005 Elsevier B.V All rights reserved.

}, keywords = {cathode material, lithium batteries, MoS2, organic-inorganic nanocomposite, PEDOT-nanoribbons}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2005.06.022}, author = {Murugan, A. Vadivel and Quintin, M. and Delville, M. H. and Campet, Guy and Gopinath, Chinnakonda S. and Vijayamohanan, K.} } @article { ISI:000236256600002, title = {Facile two-step chemoenzymatic access to natural germination inhibitor (+)-erigeronic acid A}, journal = {Tetrahedron}, volume = {62}, number = {13}, year = {2006}, month = {MAR}, pages = {2999-3003}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A facile two-step synthesis of natural germination inhibitor 5-butyl-3-oxo-2,3-dihydrofuran-2-yl-acetic acid [(+)-erigeronic acid A, 1] has been described via highly regioselective ring opening of (R)-acetoxysuccinic anhydride with the primary enolate of butyl methyl ketone, followed by an enzymatic hydrolysis and ail in situ dehydrative cyclization pathway with 77\% overall yield. Oil the basis of the present chemoenzymatic approach, (R)-configuration has been assigned to the C-2 chiral centre of the natural erigeronic acid. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {(+)-erigeronic acid, (R)acetoxysuccinic anhydride, natural germination inhibitor, primary enolate of butyl methyl ketone, synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.01.044}, author = {Gogoi, Sanjib and N. P. Argade} } @article { ISI:000242931900034, title = {Field emission from oriented tin oxide rods}, journal = {Thin Solid Films}, volume = {515}, number = {4}, year = {2006}, month = {DEC}, pages = {1450-1454}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Tin oxide (SnO2) films were grown on silicon substrates by a wet chemical route. It was found from scanning electron microscopy investigations that oriented SnO2 rods normal to the substrates were obtained. Field emission studies were carried out in diode configuration in an all metal ultra high vacuum chamber at a base pressure similar to 1.33 x 10(-8) mbar. The {\textquoteleft}onset{\textquoteright} field required to draw 0.1 mu A/cm(2) current density from the emitter cathode was found to be similar to 3.4 V/mu m for SnO2 rods. The field emission current and applied field follows the Folwer-Nordheim relationship in low field regime. The observed results indicate that the field emission characteristics of chemically grown SnO2 structures are comparable to the vapor grown nanostructures. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {field emission, microstructures, scanning electron microscopy, tin oxide}, issn = {0040-6090}, doi = {10.1016/j.tsf.2006.04.034}, author = {Deshpande, A. C. and Koinkar, Pankaj M. and Ashtaputre, S. S. and More, Mahendra A. and Gosavi, S. W. and Godbole, P. D. and Joag, Dilip S. and Kulkarni, S. K.} } @article { ISI:000236784200028, title = {Finite size effects on the structural and magnetic properties of sol-gel synthesized NiFe2O4 powders}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {302}, number = {1}, year = {2006}, month = {JUL}, pages = {190-195}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nanoparticles of nickel ferrite have been synthesized by the sol-gel method and the effect of grain size oil its structural and magnetic properties have been Studied in detail. X-ray diffraction (XRD) studies revealed that all the samples are single phasic possessing the inverse spinel structure. Grain size of the sol-gel synthesized powders has been determined from the XRD data and the strain graph. A grain size of 9 nm was observed for the as prepared powders of NiFe2O4 obtained through the sol-gel method. It was also observed that strain was induced during the firing process. Magnetization measurements have been carried out on all the samples prepared in the present series. It was found that the specific magnetization of the nanosized NiFe2O4 powders was lower than that of the corresponding coarse-grained counterparts and decreased with a decrease in grain size. The coercivity of the sol-gel synthesized NiFe2O4 nanoparticles attained a maximum value when the grain size was 15 nm and then decreased as the grain size was increased further. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {grain size, magnetic properties, Nanoparticles, Nickel ferrite, strain}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2005.08.029}, author = {George, M. and John, A. M. and Nair, S. S. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000242873400011, title = {General strategy for a short and efficient synthesis of 3-hydroxy-4-methylprolines (HMP)}, journal = {Tetrahedron Letters}, volume = {47}, number = {52}, year = {2006}, month = {DEC}, pages = {9215-9219}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The non-proteinogenic amino acid 3-hydroxy-4-methylproline (HMP) is an active constituent of some potent antimicrobials including echinocandins, nostopeptins, pneumocandins, sporiofungin and mulundocandins. A synthesis has been achieved in 10 steps with 29\% overall yield; the Evans{\textquoteright} aldol reaction using Crimmins{\textquoteright} modified method was pivotal to the success of the strategy. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {3, 4-disubstituted proline, Crimmins{\textquoteright} aldol reaction, Garner{\textquoteright}s aldehyde, non-proteinogenic amino acids, RUO4 mediated oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.10.137}, author = {Mohapatra, Debendra K. and Mondal, Dhananjoy and Chorghade, Mukund S. and Gurjar, Mukund K.} } @article { ISI:000244926000019, title = {Genetic diversity analysis in Gaultheria fragrantissima wall. (Ericaceae) from the two biodiversity hotspots in India using ISSR markers}, journal = {Current Science}, volume = {91}, number = {12}, year = {2006}, month = {DEC}, pages = {1634-1640}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {Gaultheria fragrantissima, Genetic diversity, heterozygosity, ISSR markers}, issn = {0011-3891}, author = {Apte, G. S. and Bahulikar, R. A. and Kulkarni, R. S. and Lagu, Meena D. and Kulkarni, B. G. and Suresh, H. S. and Rao, P. S. N. and Gupta, V. S.} } @article { ISI:000238418000031, title = {High performance poly(styrene-b-diene-b-styrene) triblock copolymers from a hydrocarbon-soluble and additive-free dicarbanionic initiator}, journal = {Journal of the American Chemical Society}, volume = {128}, number = {25}, year = {2006}, month = {JUN}, pages = {8158-8159}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0002-7863}, doi = {10.1021/ja062695v}, author = {Matmour, Rachid and More, Arvind S. and Wadgaonkar, Prakash P. and Gnanou, Yves} } @article { ISI:000241248000088, title = {Highly efficient organic-inorganic poly(3,4-ethylenedioxythiophene)-molybdenum trioxide nanocomposite electrodes for electrochemical supercapacitor}, journal = {Journal of Applied Physics}, volume = {100}, number = {7}, year = {2006}, month = {OCT}, pages = {Article No. 074319}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

In this paper, we report a highly efficient organic-inorganic nanocomposite electrode with enhanced double layer capacitance, which has been synthesized using 3,4-ethylenedioxythiophene and crystalline molybdenum trioxide (MoO3) in the presence of an external oxidizing agent. The interlayer spacing of MoO3 upon intercalation expands from 6.93 to 13.46 A and is followed by an exfoliation and restacking process. The resulting nanocomposite is characterized by powder x-ray diffraction, scanning electron microscopy, transmission electron microscopy, x-ray photoelectron spectroscopy, and four probe conductivity measurements. The application potential of this nanocomposite as an electrode material for electrochemical supercapacitors has been investigated, highlighting the unusual enhancement of double layer capacitance of poly(3,4-ethylenedioxythiphene) (PEDOT-MoO3) nanocomposites (similar to 300 F g(-1)) compared to that of pristine MoO3 (similar to 40 mF g(-1)). The improved electrochemical performance is attributed to the intercalation of electronically conducting PEDOT between MoO3 layers with enhanced bidimensionality and an increase in the surface area. (c) 2006 American Institute of Physics.

}, issn = {0021-8979}, doi = {10.1063/1.2356788}, author = {Murugan, A. Vadivel and Viswanath, Annamraju Kasi and Gopinath, Chinnakonda S. and Vijayamohanan, K.} } @article { ISI:000241179400014, title = {Hybrid foldamer with unique architecture from conformationally constrained aliphatic-aromatic amino acid conjugate}, journal = {Tetrahedron}, volume = {62}, number = {43}, year = {2006}, month = {OCT}, pages = {10141-10146}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Amino acids, Conformation, Foldamer, Peptidomimetics}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.08.032}, author = {Srinivas, Deekonda and Gonnade, Rajesh G. and Ravindranathan, Sapna and Sanjayan, Gangadhar J.} } @article { ISI:000234644600023, title = {Hydrothermal synthesis of MCM-41 using differently manufactured amorphous dioxosilicon sources}, journal = {Materials Letters}, volume = {60}, number = {7}, year = {2006}, month = {APR}, pages = {957-961}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Characterization, dioxosilicon sources, Hydrothermal synthesis, MCM-41, porosity, Structural stability}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.10.049}, author = {Gaydhankar, T. R. and Samuel, V. and Joshi, P. N.} } @article { ISI:000239975900022, title = {In situ optical emission spectroscopic investigations during arc plasma synthesis of iron oxide nanoparticles by thermal plasma}, journal = {IEEE Transactions on Plasma Science}, volume = {34}, number = {4, 1}, year = {2006}, month = {AUG}, pages = {1175-1182}, publisher = {IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC}, type = {Article}, address = {445 HOES LANE, PISCATAWAY, NJ 08855 USA}, abstract = {

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

}, keywords = {plasma arc device, plasma-materials processing applications, spectroscopy}, issn = {0093-3813}, doi = {10.1109/TPS.2006.878430}, author = {Banerjee, Indrani and Joshi, N. K. and Sahasrabudhe, S. N. and Kulkarni, Naveen V. and Karmakar, Soumen and Pasricha, R. and Ghorui, S. and Tak, Atul K. and Murthy, Shri P. S. S. and Bhoraskar, S. V. and Das, A. K.} } @article { ISI:000235439900024, title = {Low temperature route to prepare LaMnO3}, journal = {Materials Letters}, volume = {60}, number = {9-10}, year = {2006}, month = {MAY}, pages = {1213-1214}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A combination of digestion and further low temperature calcination to crystallize the product is employed to prepare LaMnO3(LM) ceramics. Freshly co-precipitated lanthanum and manganese hydroxides gel is allowed to react at 100 degrees C under refluxing and stirring conditions for 6-12 h. The X-ray amorphous product so formed is heated at 300 degrees C to form crystalline LM powders. This is the lowest temperature so far reported for the formation of LaMnO3. Transmission electron microscope (TEM) investigations revealed that the average particle size is 50 nm for the calcined powders. (c) 2005 Elsevier B.V All rights reserved.

}, keywords = {Chemical synthesis, LaMnO3, Precipitation, transmission electron microscopy, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.11.002}, author = {Daundkar, A. and Kale, Sangeeta N. and Gokhale, Suresh P. and Ravi, V} } @article { ISI:000238717900020, title = {Magnetic properties of NiCuZn ferrites synthesized by oxalate precursor method}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {305}, number = {1}, year = {2006}, month = {OCT}, pages = {110-119}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {initial permeability, magneticproperties, Magnetization, NiCuZn ferrites, XRD}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2005.11.041}, author = {Ghodake, S. A. and Ghodake, U. R. and Sawant, S. R. and Suryavanshi, S. S. and Bakare, P. P.} } @article { ISI:000236419800016, title = {MCM-41-supported platinum carbonyl cluster-derived catalysts for asymmetric and nonasymmetric hydrogenation reactions}, journal = {Journal of Catalysis}, volume = {239}, number = {1}, year = {2006}, month = {APR}, pages = {154-161}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Anionic platinum carbonyl Cluster ([Pt-12(CO)(24)](2-)) was ion-paired with the 3-chloropropyltrimethoxysilyl-ammonium group chemically bound to the surface of MCM-41. The materials undergo quick decarbonylation and have been characterized before decarbonylation by IR and UV-vis spectroscopy and after decarbonylation by XPS and TEM. They have been used as catalysts for the hydrogenations of methyl pyruvate, acetophenone, nitrobenzene, benzonitrile, and ethylacetoacetate. The support and the quaternary ammonium groups have significant effects on surface platinum concentration, crystallite size, and observed activity. In the hydrogenation of the prochiral substrates methyl pyruvate or acetophenone, the cinchonidine-based catalyst gives significant enantioselectivity under optimum conditions. A kinetic model that includes an enantioselective product-formation step and a hydrogen pressure-dependent step for the deactivation of the enantioselective sites gives reasonable agreement between predicted and observed enantioselectivity. The model is also in accordance with the XPS and TEM data. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {asymmetric/non-asymmetric catalysis, Enantioselectivity, functionalized MCM-41, hydrogenation catalysts, platinum carbonyl cluster}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.01.032}, author = {Basu, Susmit and Mapa, Maitri and Gopinath, Chinnakonda S. and Doble, Mukesh and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000238716600010, title = {Microwave assisted fast and clean conversion of mesylate to azide: synthesis of (1S,2R/1R,2S)-1-azido-2-carbocyclic amines as immediate precursors to versatile 1,2-cis-diamines}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {45}, number = {6}, year = {2006}, month = {JUN}, pages = {1492-1498}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

An efficient and rapid conversion of mesylate to azide under microwave irradiation has been carried out. It proceeds through inversion of configuration from chiral mesylates to provide optically pure cis-azides, immediate precursors of vicinal-cis-1,2-diamines. These diamines can serve as metal ligands in asymmetric catalysis and their derivatives can be employed as medicinal agents.

}, keywords = {asymmetric catalysis, Azide, diamines, medicinal agent, mesylate, microwave irradiation}, issn = {0376-4699}, author = {Govindaraju, T.} } @article { ISI:000237837500023, title = {Molecular geometry from molecular tensegrity: a case study of gas-phase MX2 compounds}, journal = {Current Science}, volume = {90}, number = {9}, year = {2006}, month = {MAY}, pages = {1251-1253}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

We define a tensegrity factor, t(00)(+/-), for X-M-X linkages of gas-phase MXn compounds (X is an atom of an insulating element) that is a measure of the matching of {\textquoteleft}ideal{\textquoteright} 1,2-(single-bonded) M-X distance, d(MX)(00), to the {\textquoteleft}ideal{\textquoteright} (non-bonded) 1,3-X{\textendash}-X distances, d(MX)(00). The actually observed 1,3-distance, d(XX) is given (within 1\% error) by 2CR(X)/F-S, where F-S (= 2-1.41(00)(+/-)) is shown to be an ab initio quantity with no adjustable parameter, no dependence on actual M-X distance or bond order and with 2CR(X) depending only on whether M is an atom of an insulating element (2CR(X) =d(XX)(00)) or whether M is metallic (2CR(X) = 1.1d(XX)(00)). This is illustrated for gas-phase MX2 compounds.

}, keywords = {gas-phase, molecular geometry, MX2 compounds, tensegrity}, issn = {0011-3891}, author = {Ganguly, Parthasarathy} } @article { ISI:000242621800023, title = {Molecular interactions between the specialist herbivore Manduca sexta (Lepidoptera, Sphingidae) and its natural host Nicotiana attenuata. VII. changes in the plant{\textquoteright}s proteome}, journal = {Plant Physiology}, volume = {142}, number = {4}, year = {2006}, month = {DEC}, pages = {1621-1641}, publisher = {AMER SOC PLANT BIOLOGISTS}, type = {Article}, address = {15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA}, abstract = {

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

}, issn = {0032-0889}, doi = {10.1104/pp.106.088781}, author = {Giri, Ashok P. and Wuensche, Hendrik and Mitra, Sirsha Sribas and Zavala, Jorge A. and Muck, Alexander and Svatos, Ales and Baldwin, Ian T.} } @article { ISI:000243169700025, title = {Molecular tensegrity: predicting 1,3-X{\textendash}-X distance in gas-phase MXn (n <= 4) compounds from atomic sizes}, journal = {Current Science}, volume = {91}, number = {11}, year = {2006}, month = {DEC}, pages = {1505-1508}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

This article extends an earlier definition(1) and use of molecular tensegrity for obtaining quantitatively the 1,3-non-bonded distances in gas-phase MX2 compounds to nearly 160 gas-phase MXn (n \<= 4) inorganic compounds (including those of transition metal elements), once a transferable {\textquoteleft}core{\textquoteright} atomic size is specified. The simple principles behind this methodology (involving only linear equations), its quantitative character, its transparency, its portability and its generality account very simply for molecular geometry in such compounds without requiring earlier theoretical methodologies. We also establish clear distinction in the prescription for obtaining the 1,3-distance when M is an atom of a metallic or insulating element.

}, keywords = {Atomic size, gas phase, molecular tensegrity, non-bonded distance}, issn = {0011-3891}, author = {Ganguly, Parthasarathy} } @article {43385, title = {Morphological mutants of gibberella fujikuroi for enhanced production of gibberellic acid}, journal = {Journal of Applied Microbiology}, volume = {100}, year = {2006}, month = {JAN}, pages = {65-72}, abstract = {

Aims: To examine the production of gibberellic acid by selected morphological mutants of Gibberella fujikuroi in liquid cultures. Methods and Results: Mutants of G. fujikuroi having different morphological characteristics were selected after UV irradiation. The production of gibberellic acid by mutants that had different hyphal lengths was examined in shake flasks in media with different concentrations of nutrients as well as different volumes of the medium. Fed-batch fermenter study was performed to evaluate the mutant Mor-25 for growth and production of gibberellic acid. The broth was analysed by high performance liquid chromatography for fusaric acid, the common mycotoxin produced by strains of Fusarium. A variety of morphological mutants having different mycelial and soluble pigmentation as well as colony morphologies were generated from G. fujikuroi upon exposure to UV radiation. A nonpigmented mutant (Car-1) was selected as intermediate parent and later, mutants Mor-1 and Mor-25 were selected based on their distinct morphology. The colonies on regeneration agar plates were small, compact and dry. In liquid medium, mutant Mor-25 grew in a micro-pelleted form and the mycelium had short, highly branched hyphae, curly at tips with thick, swollen cells. Mutant Mor-25 grew rapidly in a low-cost medium containing defatted groundnut flour, sucrose and salts. In media with higher nutrient concentrations as well as larger volumes, it produced twofold more gibberellic acid than the parent. Fusaric acid, the common mycotoxin, was absent in the fermentation broth of mutant Mor-25. The mutants have been deposited in National Collection of Industrial Microorganisms (NCIM), National Chemical Laboratory, Pune, India under following culture collection numbers (Car-1, NCIM 1323; Mor-1, NCIM 1322; and Mor-25, NCIM 1321). Conclusion: Growth of unpigmented, morphological mutants of G. fujikuroi that led to lower viscosity in fermentation broth resulted in increased production of gibberellic acid. Significance and Impact of Study: The use of morphological mutants that have lower viscosity in liquid cultures for gibberellic acid production is not reported earlier. Similar mutants can be useful for other types of fungal fermentations also.

}, doi = {10.1111/j.1365-2672.2005.02754.x}, author = {Lale, Geetanjali and Jogdand, Vitthal V. and Gadre, Ramchandra V.} } @article { ISI:000238629400001, title = {NaIO4/KI/NaCl: a new reagent system for iodination of activated aromatics through in situ generation of iodine monochloride}, journal = {Tetrahedron Letters}, volume = {47}, number = {28}, year = {2006}, month = {JUL}, pages = {4793-4796}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.05.062}, author = {Emmanuvel, Lourdusamy and Shukla, Ravi Kant and Sudalai, Arumugam and Gurunath, Suryavanshi and Sivaram, Swaminathan} } @article { ISI:000237651600007, title = {Palladium mediated cycloisomerization of sugar alkynols: synthesis of cyclic enol-ethers and spiroketals}, journal = {Tetrahedron Letters}, volume = {47}, number = {22}, year = {2006}, month = {MAY}, pages = {3649-3652}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Functionalized bicyclic enol-ethers and spiroketals are prepared by Pd catalyzed cycloisomerization of 3-C-alkynylfuranosyl derivatives. Cycloisomerization of differently substituted alkyne derivatives revealed a preference for 6-endo-dig cyclization over 5-exo-dig if the substituent is not sufficiently electron withdrawing. The scope of these cycloisomerizations has been further extended by integrating with conjugate addition. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {c-alkynylfuranose, cycloisomerization, enol-ether, Palladium, Spiroketal}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.03.143}, author = {Ramana, C. V. and Mallik, Rosy and Gonnade, Rajesh G. and Gurjar, Mukund K.} } @article { ISI:000241849900014, title = {Photoelectrochemical properties of electrochemically deposited CdIn2S4 thin films}, journal = {Journal of Physics and Chemistry of Solids}, volume = {67}, number = {11}, year = {2006}, month = {NOV}, pages = {2331-2336}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Thin films of CdIn2S4 have been deposited on to stainless steel and fluorine-doped tin oxide (FTO)-coated glass substrates from aqueous acidic bath using an electrodeposition technique. Ethylene diamine tetra-acetic acid (EDTA) disodium salt is used as complexing agent to obtain good-quality deposits by controlling the rate of the reaction. The different preparative parameters like concentration of bath, deposition time, bath temperature, pH of the bath have been optimized by the photoelectrochemical (PEC) technique in order to get good-quality photosensitive material. Different techniques have been used to characterize CdIn2S4 thin films. Optical absorption shows the presence of direct transition with band gap energy 2.17 eV. The X-ray diffraction (XRD) analysis of the as-deposited and annealed films showed the presence of polycrystalline nature. Energy-dispersive analysis by X-ray (EDAX) study for the sample deposited at optimized preparative parameters shows that the In-to-Cd ratio is almost 2 and S-to-Cd ratio is almost 4. Scanning electron microscopy (SEM) for samples deposited at optimized preparative parameters reveals that spherical grains are uniformly distributed over the surface of the substrate indicates the well-defined growth of polycrystalline CdIn2S4 thin film. PEC characterization of the films is carried out by studying photoresponse, spectral response and photovoltaic output characteristics. The fill factor (ff) and power conversion efficiency (eta) of the cell are 69 and 2.94\%, respectively. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {Thin films, X-ray diffraction}, issn = {0022-3697}, doi = {10.1016/j.jpcs.2006.05.022}, author = {Kokate, A. V. and Asabe, M. R. and Delekar, S. D. and Gavali, L. V. and Mulla, Imtiaz S. and Hankare, P. P. and Chougule, B. K.} } @article { ISI:000243088200025, title = {Photooxidation of vulcanized EPDM/montmorillonite nanocomposites}, journal = {Polymer Degradation and Stability}, volume = {91}, number = {12}, year = {2006}, month = {DEC}, pages = {3033-3039}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {EPDM, Nanocomposite, photooxidation rate, stabilization}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2006.08.026}, author = {Morlat-Therias, Sandrine and Fanton, Elisabeth and Tomer, Namrata S. and Rana, Sravendra and Singh, R. P. and Gardette, Jean Luc} } @article { ISI:000238072500037, title = {Pictet-Spengler cyclization in room temperature ionic liquid: a convenient access to tetrahydro beta-carbolines}, journal = {Journal of Heterocyclic Chemistry}, volume = {43}, number = {3}, year = {2006}, month = {MAY}, pages = {767-772}, publisher = {HETERO CORPORATION}, type = {Article}, address = {PO BOX 170, PROVO, UT 84603-0170 USA}, abstract = {

1,2,3,4-Tetrahydro-beta-carbolines have been synthesized in moderate to good yields in short reaction time using the ionic liquid [bbim] BF4 as reaction medium and promoter. There was no need for the use of an additional catalyst normally employed in Pictet-Spengler condensation.

}, issn = {0022-152X}, author = {Muthukrishnan, Murugan and More, Shivaji V. and Garud, Dinesh R. and Ramana, C. V. and Joshi, Rohini R. and Joshi, Ramesh A.} } @article { ISI:000236590300058, title = {Poly(o-toluidine) coatings on copper: electrochemical synthesis from aqueous media}, journal = {Surface \& Coating Technology}, volume = {200}, number = {16-17}, year = {2006}, month = {APR}, pages = {5094-5101}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {Conducting polymer coatings, Copper, Corrosion resistant coatings, cyclic voltammetry, poly(o-toluidine) coatings}, issn = {0257-8972}, doi = {10.1016/j.surfcoat.2005.05.026}, author = {Shinde, V. and Mandale, A. B. and Patil, K. R. and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000241106900008, title = {Preparation and characterization of sulfonated syndiotactic polystyrene ionomers/organoclay nanocomposites}, journal = {Macromolecules}, volume = {39}, number = {21}, year = {2006}, month = {OCT}, pages = {7199-7203}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0024-9297}, doi = {10.1021/ma061471u}, author = {Govindaiah, P. and Mallikarjuna, S. R. and Ramesh, C.} } @article { ISI:000238443200008, title = {Production of lactic acid and fructose from media with cane sugar using mutant of Lactobacillus delbrueckii NCIM 2365}, journal = {Letters in Applied Microbiology}, volume = {43}, number = {1}, year = {2006}, month = {JUL}, pages = {53-57}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

Aims: To examine the potential of Lactobacillus delbrueckii mutant, Uc-3 to produce lactic acid and fructose from sucrose-based media. Methods and Results: The mutant of L. delbrueckii NCIM 2365 was cultivated in shake flask containing hydrolysed cane sugar (sucrose)-based medium. The lactic acid yield and volumetric productivity with hydrolysed cane concentration up to 200 g l(-1) were in the range of 92-97\% of the theoretical value and between 2.7 and 3.8 g l(-1) h(-1), respectively. The fructose fraction of the syrup produced was more than 95\% when the total initial sugar concentration in the medium was higher (150-200 g l(-1)). There are no unwanted byproducts detected in the fermentation broth. Conclusions: We demonstrated that L. delbrueckii mutant Uc-3 was able to utilize glucose preferentially to produce lactic acid and fructose from hydrolysed cane sugar in batch fermentation process. Significance and Impact of the Study: These findings will be useful in the production of lactic acid and high fructose syrups using media with high concentrations of sucrose-based raw materials. This approach can lead to modification of the traditional fermentation processes to obtain value-added byproducts, attaining better process economics.

}, keywords = {fructose accumulation, hydrolyzed cane sugar, lactic acid production, Lactobacillus delbrueckii, Mutant}, issn = {0266-8254}, doi = {10.1111/j.1472-765X.2006.01907.x}, author = {Patil, S. S. and Kadam, S. R. and Patil, S. S. and Bastawade, Kulbhushan B. and Khire, Jayant Malhar and Gokhale, D. V.} } @article { ISI:000237610600013, title = {Purification, characterization and substrate specificity of thermostable alpha-galactosidase from Bacillus stearothermophilus (NCIM-5146)}, journal = {Process Biochemistry}, volume = {41}, number = {6}, year = {2006}, month = {JUN}, pages = {1311-1317}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

An extracellular thermostable alpha-galactosidase from Bacillus stearothermophilus (NCIM-5146) has been purified to homogeneity by chromatographic step, using Phenyl Sepharose CL-4B column. The specific activity of the enzyme was increased approximately 389-fold, from 1.03 U/mg protein to 400 U/mg protein. The molecular mass of the purified enzyme as determined by SDS-PAGE and gel filtration was 79.9 and 165.9 kDa, respectively, suggesting dimeric nature. The purified alpha-galactosidase is a non-glycosylated protein with a pI of 4.9. The pH and temperature optima for the purified enzyme are 6.5-7.0 and 65 degrees C, respectively. The alpha-galactosidase is stable over a broad pH range (3-9) and its half-life of inactivation (t(1/2)) at 70 degrees C is 30 min. The partial N-terminal sequence of alpha-galactosidase showed remarkable homology (80\% similarity) with earlier reported alpha-galactosidase from B. stearothermophilus NUB 3621. The secondary structure of the enzyme determined by circular dichroism (CD) spectroscopy exhibited alpha/beta class of protein and showed temperature induced conformational forms below and above the transition temperature. The purified enzyme showed biphasic Arrhenius plot with break point at 55 degrees C for pNPG and 50 degrees C for melibiose, raffinose and stachyose. The enzyme hydrolyzes alpha-1-3, alpha-1-4, and alpha-1-6 galactosidic linkages and not the beta-galactosidic linkages. Synthetic substrates pNPG and oNPG had lower K-m and higher K-cat as compare to natural substrates, melibiose, raffinose, and stachyose. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {alpha-galactosidase, Bacillus stearothermophilus (NCIM-5146), Purification, Secondary structure, thermostable enzyme}, issn = {1359-5113}, doi = {10.1016/j.procbio.2006.01.003}, author = {Gote, M. M. and Khan, Mohammad Islam and Gokhale, D. V. and Bastawade, Kulbhushan B. and Khire, Jayant Malhar} } @article {Datar, title = {Remarkably rapid regioselective synthesis of beta-enaminones using silica chloride in a heterogeneous as well as an ionic liquid in a homogeneous medium at room temperature}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {245}, number = {1-2}, year = {2006}, note = {6th International Conference on Solvothermal Reactions, Mysore, INDIA, AUG 24-27, 2004}, month = {FEB}, pages = {37-46}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {direct oxidation of H-2 to H2O2, H2O2 decomposition, H2O2 hydrogenation, Promoting action of chloride or bromide anions, supported Pd catalysts}, issn = {0021-9517}, doi = {10.1016/j.molcata.2005.09.021}, author = {Gholap, Atul R. and Chakor, N. S. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI: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 { 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: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: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 {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: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: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 {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:000238142900019, title = {Synthesis of beta-amino alcohols from aromatic amines and alkylene carbonates using Na-Y zeolite catalyst}, journal = {Synlett}, number = {9}, year = {2006}, month = {JUN}, pages = {1374-1378}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

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

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

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

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

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

}, issn = {0022-2461}, doi = {10.1007/s10853-006-2375-7}, author = {Shinde, V. and Sainkar, S. R. and Gangal, S. A. and Patil, P. P.} } @article { ISI: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 { 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:000239884300028, title = {Theoretical study of N2O reduction by CO in Fe-BEA zeolite}, journal = {Chemphyschem}, volume = {7}, number = {8}, year = {2006}, month = {AUG}, pages = {1795-1801}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Quantum mechanical (QM) and QM/molecular mechanics (MM) studies of the full catalytic cycle of N2O reduction by CO in Fe-BEA zeolite, that is, oxidation of BEA-Fe by NO and reduction of BEA-Fe-alpha O by CO, is presented. A large QM cluster, representing half of the channel of the BEA zeolite, is used. The contribution of the MM embedding to the calculated activation energies is found to be negligible. The minimum-energy paths for N2O decomposition and reduction with CO are calculated using the nudged elastic bond (NEB) method. Calculated band experimental activation energies ore in good agreement The two possible orientations for the gaseous molecules adsorbing on the Fe site that ore found lead to different activation energies.

}, keywords = {Density functional calculations, iron, nitrogen oxides, reaction mechanisms, zeolites}, issn = {1439-4235}, doi = {10.1002/cphc.200600228}, author = {Fischer, Gerd and Goursot, Annick and Coq, Bernard and Delahay, Gerard and Pal, Sourav} } @article { ISI:000240012600023, title = {Thermally assisted semiconductor-like to insulator transition in gold-poly(methyl methacrylate) nanocomposites}, journal = {Nanotechnology}, volume = {17}, number = {16}, year = {2006}, month = {AUG}, pages = {Article No. 4129-4134}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Gold-polymethylmethacrylate ( PMMA) nanocomposites were fabricated by mixing gold nanoparticles capped with oleylamine in polymethylmethacrylate. The samples were analysed using UV-vis absorption spectroscopy, transmission electron microscopy, small angle x-ray scattering, Fourier transform infrared spectrometry ( FTIR) and x-ray photoelectron spectroscopy ( XPS). Electrical resistivity of nanocomposite samples was measured by a four-probe technique in the 70-300 K range. The nanocomposites showed a transition with an onset at similar to 160-165 K. They exhibited a semiconductor-like conductivity at higher temperatures and nearly temperature independent conductivity at lower temperatures. The interfacial interaction of Au nanoparticles and PMMA polymer is investigated using FTIR and XPS. A ligand-exchange process occurs when capped gold nanoparticles are incorporated in PMMA polymer.

}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/16/023}, author = {Abyaneh, Majid Kazemian and Pasricha, Renu and Gosavi, S. W. and Kulkarni, S. K.} } @article { ISI:000240786300012, title = {Total synthesis of (-)-radicamine B}, journal = {Tetrahedron Letters}, volume = {47}, number = {39}, year = {2006}, month = {SEP}, pages = {6979-6981}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of a chiral cyclic nitrone with L-arabino configuration and its application in the total synthesis of radicamine B is reported. An agreement in the spectral data with natural radicamine B but specific rotation with an opposite sign warranted a revision of the absolute configuration of radicamine B. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {codonopsinine, Cyclic nitrone, Grignard addition, polyhydroxy pyrrolidine alkaloids, radicamine B}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.07.120}, author = {Gurjar, Mukund K. and Borhade, Ramdas G. and Puranik, Vedavati G. and Ramana, C. V.} } @article { ISI:000237651600037, title = {Towards the total synthesis of clavosolide A}, journal = {Tetrahedron Letters}, volume = {47}, number = {22}, year = {2006}, month = {MAY}, pages = {3781-3783}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of the monomeric unit of clavosolide A from 1,2:5,6-di-O-isopropylidene-alpha-D-glucose is presented. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {clavosolide A, diolide, reductive oxirane opening, seco acid, Simmons-Smith cyclopropanation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.03.107}, author = {Yakambram, Pedduri and Puranik, Vedavati G. and Gurjar, Mukund K.} } @article { ISI:000249453100008, title = {4-Formylazetidin-2-one as a useful building block for the formal synthesis of xylo-(2S,3R,4R)-phytosphingosine and threo-(2S,3S)-sphingosine}, journal = {Synthesis-Stuttgart }, volume = {17}, number = {17}, year = {2007}, month = {SEP}, pages = {2631-2636}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

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

}, keywords = {azetidin-2-one, beta-lactam, Grignard reaction, Phytosphingosine, Sphingosine}, issn = {0039-7881}, doi = {10.1055/s-2007-983815}, author = {Kale, Ajaykumar S. and Sakle, Prathmesh S. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000245519000047, title = {Active site directed chemical modification of alpha-galactosidase from bacillus stearothermophilus (NCIM 5146): involvement of lysine, tryptophan and carboxylate residues in catalytic site}, journal = {Enzyme and Microbial Technology}, volume = {40}, number = {5}, year = {2007}, month = {APR}, pages = {1312-1320}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

The catalytic amino acid residues of the extracellular a-galactosidase (alpha-D-galactoside galactohydrolase; EC 3.2.1.22) from Bacillus stearothermophilus NCIM 5146 were investigated by pH dependence and chemical modification studies. These results suggested that carboxylate and a lysine residue take part in catalysis and only lysine residues were essential for substrate binding. Carbodiimide mediated chemical modification of the enzyme also supported that a carboxylate residue located in the active site act as a nucleophile base in substrate cleavage. Acylation and reductive methylation of lysine residues by acetic, citraconic anhydride and sodium borohydride suggested that four protonated lysine residues carrying positive charge on its epsilon-amino group provides the positive charge density for binding of the substrate. Additionally four tryptophan residues also found near to the active site and in a moderately hydrophobic environment. Kinetic and thermal inactivation study of modified enzyme indicated that these tryptophan residues might have a role in the catalytic site as well as in the thermal stabilization of active site conformation at higher temperature. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {Active site, alpha-galactosidase, Bacillus stearothermophilus, carboxylate, Chemical modification, lysine, Tryptophan}, issn = {0141-0229}, doi = {10.1016/j.enzmictec.2006.10.004}, author = {Gote, M. M. and Khan, Mohammad Islam and Khire, Jayant Malhar} } @article { ISI:000242511300022, title = {Adsorption of methanol on mesoporous SBA-15}, journal = {Materials Letter}, volume = {61}, number = {1}, year = {2007}, month = {JAN}, pages = {88-92}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The adsorption of methanol onmesoporous SBA-15 has been studiedbyrising Brunauer-Emmett-Teller (BET) surface area analysis, scanning electron microscopy (SEM), Fourier transform infrared (FTIR) spectroscopy, X-ray photoclectrom spectroscopy (XPS) and tbennogravimettic analysis (TGA). The BET surface area analysis shows decreases of the surface area from 387 to 383 m(2)/g, pore volume from 0.88 to 0.81 cm(3)/g and pore diameter from 9.07 to 8.4 mm after methanol adsorption. The appearance of strong IR bands at 2862 and 2964cm(-1) due to methyl (-CH3) symmetric and asymmetric stretching demonstrate the presence of methanol and evidence of successful methanol adsorption. XPS results show increase of carbon and oxygen content on the surface of SBA-15. Thermogravirriettic analysis shows that the methanol adsorbed on SBA-15 is stable up to a temperature of 265 degrees C and that the methanol adlayers decompose between 265 and 588 degrees C. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Adsorption, Electron microscopy, Methanol, SBA-15, Surfaces, thermal stability}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.04.012}, author = {Mirji, S. A. and Halligudi, Shivaraj B. and Mathew, Nevin T. and Jacob, Nalini E. and Patil, K. R. and Gaikwad, A. B.} } @article { ISI:000247759200023, title = {Adsorption of zinc from aqueous solution using chemically treated newspaper pulp}, journal = {Bioresource Technology }, volume = {98}, number = {16}, year = {2007}, month = {NOV}, pages = {3136-3141}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Adsorption, newspaper pulp, TNP, zinc}, issn = {0960-8524}, doi = {10.1016/j.biortech.2006.10.040}, author = {Chakravarty, S. and Bhattacharjee, S. and Gupta, K. K. and Singh, M. and Chaturvedi, Hema T. and Maity, S.} } @article { ISI:000248238400001, title = {Application of hydrolytic kinetic resolution (HKR) in the synthesis of bioactive compounds}, journal = {Tetrahedron}, volume = {63}, number = {13}, year = {2007}, month = {MAR}, pages = {2745-2785}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, keywords = {Biological activity, bis-epoxides, Hydrolytic kinetic resolution, meso-epoxides, Natural products, synthesis, terminal epoxides}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.12.015}, author = {Kumar, Pradeep and Naidu, Vasudeva and Gupta, Priti} } @article { ISI:000245984200011, title = {Bile salt hydrolase, the member of Ntn-hydrolase family: differential modes of structural and functional transitions during denaturation}, journal = {IUBMB Life}, volume = {59}, number = {2}, year = {2007}, month = {FEB}, pages = {118-125}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

}, keywords = {Aggregation, Bile salt hydrolase, molten-globule, Unfolding}, issn = {1521-6543}, doi = {10.1080/15216540701245014}, author = {Kumar, R. Suresh and Suresh, C. G. and Brannigan, James A. and Dodson, Guy G. and Gaikwad, Sushama M.} } @article { ISI:000245350600013, title = {Butylation of toluene: influence of zeolite structure and acidity on 4-tert-butyltoluene selectivity}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {265}, number = {1-2}, year = {2007}, month = {MAR}, pages = {109-116}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Vapour phase alkylation of toluene with tert-butyl alcohol was studied over the large pore zeolites H beta, HY and HMCM-22. The influence of the acidity, reaction temperature, run duration, feed rate (WHSV) and molar ratio of the reactants on conversion of toluene and selectivity for 4-tertbutyl toluene was studied. Among the isomers formed during the reaction, the para-isomer was the predominant one, followed by the meta-isomer, while no ortho-isomer was found in the products due to steric factors. 4-tert-Butyl toluene selectivity decreases at higher temperatures, while going through a maximum in the 413-433 K temperature range. Zeolite HY with a high silica to alumina ratio (SiO2/Al2O3 = 80), that has strong acidity, but lower acid site density, possesses high activity for toluene conversion, high alkylation selectivity and also high para-selectivity. The improved para-selectivity of high silica HY zeolite is attributed to the low isomerization activity that results in the suppression of the secondary isomerization of 4-tert-butyl toluene. Both alkylation and selectivity are higher with feed mixtures containing a lower fraction of tert-butyl alcohol. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {4-t-butyltoluene, Acidity, butylation, large pore zeolites, Toluene}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.09.046}, author = {Pai, Shivanand and Gupta, Upendranath and Chilukuri, Satyanarayana V.} } @article { ISI:000250183300024, title = {Carbohydrate based approach towards the synthesis of aspercyclide C}, journal = {Tetrahedron Letter}, volume = {48}, number = {42}, year = {2007}, month = {OCT}, pages = {7524-7527}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A formal total synthesis of aspercyclide C (3) is described in which D-ribose is employed as a chiral pool material. The key step is a ring closing metathesis. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {chiron approach, D-ribose, Mukaiyama reagent, ring closing metathesis (RCM), Ullmann coupling}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.08.050}, author = {Ramana, C. V. and Mondal, Mohabul A. and Puranik, Vedavati G. and Gurjar, Mukund K.} } @proceedings { ISI:000291657600151, title = {Ce-Al-MCM-41: an efficient catalyst for Mukaiyama-Michael reaction}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1161-1166}, publisher = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {

The activity of cerium containing Al-MCM-41 mesoporous materials has been studied for carbon-carbon bond formation reaction like Mukaiyama-Michael reaction under mild liquid phase conditions. The catalysts were synthesized by hydrothermal method at 383 K for 24-36 h in Teflon-lined autoclave and characterized thoroughly by XRD, UV-VIS, TEM, EPR, XPS, (27)Al NMR, NH(3)-TPD, pyridine-IR and AAS in order to obtain well-ordered M41S type materials. The Mukiayama-Michael reactions between silyl enol ether and alpha,beta-unsaturated ketones give Michael product in very good yields (100\% selectivity). The catalysts were reusable.

}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Kalita, Pranjal and Kumar, Rajiv}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000243819800025, title = {Central core of uprolides D and E: a survey of some ring closing metathesis approaches}, journal = {Tetrahedron Letter}, volume = {48}, number = {6}, year = {2007}, month = {FEB}, pages = {1013-1016}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {cembranolides, ene-yne metathesis, Ring closing metathesis, Sharpless asymmetric epoxidation, uprolides D and E}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.11.176}, author = {Ramana, C. V. and Salian, Sumanth R. and Gurjar, Mukund K.} } @article { ISI:000244404400002, title = {Characterization of the proteins of bacterial strain isolated from contaminated site involved in heavy metal resistance - a proteomic approach}, journal = {Journal of Biotechnology}, volume = {128}, number = {3}, year = {2007}, month = {FEB}, pages = {444-451}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The present study describes response of a bacterial strain isolated from a polluted river to heavy metal toxicity. The bacterium was identified to be Klebsiella pneumoniae by biochemical tests using API 20E strips and 16S ribotyping. The isolate was studied for its tolerance to two heavy metals, i.e., cobalt (Co2+) and lead (Pb2+) by growing it in citrate mineral medium (CMM). Proteomic approach involving two-dimensional polyacrylamide gel electrophoresis (2D PAGE) and mass spectrometry (MS) was used to identify the differentially expressed proteins under heavy metal stress. Two of the differentially expressed proteins were identified to be L-isoaspartate protein carboxymethyltransferase type II and DNA gyrase A. To our knowledge, this is for the first time that K pneumoniae has been reported to be present in metal contaminated site and L-isoaspartate protein carboxymethyltransferase type II protein to be over expressed under heavy metal stress. The role of these proteins in metal tolerance is discussed. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {2D PAGE, heavy metal toxicity, Mass spectrometry}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2006.11.010}, author = {Bar, Chinmayee and Patil, Rajendra and Doshi, Jignesh and Kulkarni, Mahesh J. and Gade, Wasudeo N.} } @conference { ISI:000291657600157, title = {Chemoselective alkane oxidations by reactive superoxovanadium(V) species in vanadosilicate molecular sieves}, booktitle = {From ZEOLITES to Porous Mof Materials: The 40th Anniversary of International ZEOLITE Conference, Proceedings of The 15th International ZEOLITE Conference}, series = {Studies in Surface Science and Catalysis}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1205-1212}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {

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

}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Srinivas, D. and Ratnasamy, P.}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000244054900016, title = {Concise synthesis of beta-blockers (S)-metoprolol and (S)-betaxolol using hydrolytic kinetic resolution}, journal = {Tetrahedron}, volume = {63}, number = {8}, year = {2007}, month = {FEB}, pages = {1872-1876}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Enantiopure (S)-metoprolol and (S)-betaxolol were prepared in an extremely simple and practical way using Jacobsen{\textquoteright}s hydrolytic kinetic resolution of terminal epoxides in isopropanol. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {beta-blockers, betaxolol, Hydrolytic kinetic resolution, metoprolol}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.12.016}, author = {Muthukrishnan, Murugan and Garud, Dinesh R. and Joshi, Rohini R. and Joshi, Ramesh A.} } @article { ISI:000244008300030, title = {Co-precipitation technique to prepare BaTa2O6}, journal = {Ceramics International}, volume = {33}, number = {2}, year = {2007}, month = {JAN}, pages = {297-299}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

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

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

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

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

}, keywords = {Chemical synthesis, Electron microscopy, electronic materials, Oxides, X-ray methods}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.09.010}, author = {Samuel, V. and Gaikwad, A. B. and Jadhav, A. D. and Natarajan, N. and Ravi, V.} } @article { ISI:000246978800026, title = {Corrosion protection aspects of electrochemically synthesized poly(o-anisidine-co-o-toluidine) coatings on copper}, journal = {Electrochimica Acta}, volume = {52}, number = {19}, year = {2007}, month = {MAY}, pages = {5958-5967}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The poly(o-anisidine-co-o-toluidine) coatings were synthesized on copper substrates by electrochemical copolymerization of o-anisidine with o-toluidine using sodium salicylate as supporting electrolyte. These coatings were characterized by cyclic voltammetry, UV-vis absorption spectroscopy, Fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance spectroscopy (NMR) and scanning electron microscopy (SEM). The formation of the copolymer with the mixture of monomers in the aqueous sodium salicylate solution was ascertained by a critical comparison of the results obtained with the polymerization of the individual monomers, o-anisidine and o-toluidine, respectively. The corrosion protection aspects of poly(o-anisidine-co-o-toluidine) coatings to copper was investigated in aqueous 3\% NaCl solution by potentiodynamic polarization technique and electrochemical impedance spectroscopy (EIS). The results of the potentiodynamic polarization measurements and EIS studies showed that the poly(o-anisidine-co-o-toluidine) coatings provided the effective corrosion protection to copper than that of respective homopolymers. The corrosion rate is observed to depend on the feed ratio of o-toluidine used for the synthesis of the copolymer coatings. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {copolymer coatings, Copper, Corrosion resistant coatings, cyclic voltammetry, poly(o-anisidine-co-o-toluidine)}, issn = {0013-4686}, doi = {10.1016/j.electacta.2007.03.043}, author = {Pawar, Pritee and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000251244900032, title = {Data-driven dynamic modeling and control of a surface aeration system}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {25}, year = {2007}, note = {Joint 6th International Symposium on Catalysis in Multiphase Reactors/5th International Symposium on Multifunctional Reactors (CAMURE-6/ISMR-5-), Pune, INDIA, JAN 14-17, 2007}, month = {DEC}, pages = {8607-8613}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this study we have developed a support vector regression (SVR) based data-driven model for predicting two important design parameters of surface aerators, namely, the volumetric mass transfer coefficient (k(L)(a) under bar) and fractional gas hold-up (epsilon(G)). The dynamical state of the surface aerator system was captured by acquiring pressure fluctuation signals (PFSs) at various design and operating conditions. The most informative features from PFS were extracted using the chaos analysis technique, which includes estimation of Lyapunov exponent, correlation dimensions, and Kolmogorov entropy. At similar conditions the values of k(L)(a) under bar and epsilon(G) were also measured. Two different SVR models for predicting the volumetric mass transfer coefficient (k(L)(a) under bar) and overall gas hold-up (epsilon(G)) as a function of chaotic invariants, design parameters, and operating parameters were developed showing test accuracies of 98.8\% and 97.1\%, respectively. Such SVM based models for the surface aerator can be potentially useful on a commercial scale for online monitoring and control of desired process output variables.

}, issn = {0888-5885}, doi = {10.1021/ie0700765}, author = {Gandhi, Ankit B. and Joshi, Jyeshtharaj B. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000249329300010, title = {Deprotonation of 1,2-dialkylpyridinium ions: a DFT study of reactivity and site selectivity}, journal = {Journal of Physical Chemistry A}, volume = {111}, number = {36}, year = {2007}, month = {SEP}, pages = {8823-8828}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1089-5639}, doi = {10.1021/jp072812o}, author = {Gupta, Neelima and Garg, Reena and Shah, Kirti Kr. and Tanwar, Akhilesh and Pal, Sourav} } @article { ISI:000251763600015, title = {Development of support vector regression (SVR)-based correlation for prediction of overall gas hold-up in bubble column reactors for various gas-liquid systems}, journal = {Chemical Engineering Science}, volume = {62}, number = {24, SI}, year = {2007}, note = {8th International Conference on Gas-Liquid and Gas-Liquid-Solid Reactor Engineering, Indian Inst Technol Delhi, New Delhi, INDIA, DEC 16-19, 2007}, month = {DEC}, pages = {7078-7089}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The objective of this study was to develop a unified data-driven correlation for the overall gas hold-up for various gas-liquid systems using support vector regression (SVR)-based modeling technique. Over the years, researchers have amply quantified the hydrodynamics of bubble column reactors in terms of the overall gas hold-up. In this work, about 1810 experimental points were collected from 40 open sources spanning the years 1965-2007. The model for overall gas hold-up was established as a function of several parameters which include superficial gas velocity, superficial liquid velocity, gas density, molecular weight of gas, sparger type, sparger hole diameter, number of sparger holes, liquid viscosity, liquid density, liquid surface tension, operating temperature, operating pressure and column diameter of the gas-liquid system. For understanding the hold-up behavior, the data used for training the model was grouped into various gas-liquid systems viz., air-water, gas-aqueous viscous liquids, gas-organic liquids, gas-aqueous electrolyte solutions and gas-liquid systems operated over a wide range of pressure. A generalized model established using SVR was evaluated for its performance for various gas-liquid systems. Statistical analysis showed that the proposed generalized SVR-based correlation for overall gas hold-up has prediction accuracy of 97\% with average absolute relative error (\% AARE) of 12.11\%. A comparison of this correlation with the selected system specific correlations in the literature showed that the developed SVR-based correlation significantly gives enhanced prediction of overall gas hold-up. (C) 2007 Published by Elsevier Ltd.

}, keywords = {bubble column reactor, overall gas hold-up, support vector regression}, issn = {0009-2509}, doi = {10.1016/j.ces.2007.07.071}, author = {Gandhi, Ankit B. and Joshi, Jyeshtharaj B. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article {AYC:AYCHJ3047, title = {Different interaction motifs of dipolar S = O center dot center dot center dot C = O contacts that associate diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-{[(1S)-7,7-dimethyl-2-oxo-bicyclo[2.2.1]heptan-1-ylmethyl]-sulfonyl}-myo-inositol 1,3,5-ortho-acetate}, journal = {Acta Crystallographica Section C-Structural Chemistry}, volume = {63}, number = {9}, year = {2007}, month = {SEP}, pages = { O555-O558}, publisher = {Blackwell Publishing Ltd}, type = {Article}, abstract = {

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

}, issn = {1600-5759}, doi = {10.1107/S0108270107035858}, author = {Manoj, Kochunnoonny and Gonnade, R. G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000250610300004, title = {Diverse forms of pin-II family proteinase inhibitors from capsicum annuum adversely affect the growth and development of helicoverpa armigera}, journal = {Gene}, volume = {403}, number = {1-2}, year = {2007}, month = {NOV}, pages = {29-38}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {insect resistance, IP repeats, PI-insect interaction, Pichia pastoris, potato type 2 inhibitors (Pot-II), Solanaceae}, issn = {0378-1119}, doi = {10.1016/j.gene.2007.07.024}, author = {Tamhane, Vaijayantl A. and Giri, Ashok P. and Sainani, Mohini N. and Gupta, Vidya S.} } @article { ISI:000246978800037, title = {DMFC at low air flow operation: study of parasitic hydrogen generation}, journal = {Electrochimica Acta}, volume = {52}, number = {19}, year = {2007}, month = {MAY}, pages = {6060-6067}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In this paper, the effect of hydrogen generation in direct methanol fuel cells (DMFC) is described. Under certain operating conditions hydrogen generation occurs in DMFC causing an additional methanol consumption and a decrease of the cell voltage. For the present experiments a segmented cell with an active area of 244 cm 2 is used. The cell has 196 segments which are regularly distributed on the whole area. By this experimental setup hydrogen generation was found in regions with insufficient air supply. Hydrogen generation was analyzed by systematically applying different air flow rates and detecting the local current densities. The theory for hydrogen generation is confirmed by the results obtained from the segmented cell. A correlation between open circuit voltage (OCV), air flow rate and hydrogen generation was observed. Furthermore, half-cell measurements with different methanol concentrations were performed and used for analyzing the processes during hydrogen generation. The work clearly indicates the importance of sufficient cathode air supply for DMFC. Starved cathode areas not only do not contribute to the overall current generation but in addition reduce the power and efficiency by the parasitic generation of hydrogen. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {DMFC, Efficiency, electrolytic hydrogen evolution, oxygen depletion, side-effects}, issn = {0013-4686}, doi = {10.1016/j.electacta.2007.03.067}, author = {Dohle, H. and Mergel, J. and Ghosh, P. C.} } @article { ISI:000251621900034, title = {Efficient organocatalytic route to the atorvastatin side-chain}, journal = {Tetrahedron Letter}, volume = {48}, number = {48}, year = {2007}, month = {NOV}, pages = {8544-8546}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.09.133}, author = {George, Shyla and Sudalai, Arumugam} } @article { ISI:000241912700017, title = {Electrochromic device (ECD) cell characterization on electron beam evaporated MoO3 films by intercalating/deintercalating the H+ ions}, journal = {Current Applied Physics}, volume = {7}, number = {1}, year = {2007}, month = {JAN}, pages = {76-86}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {coloration efficiency, electrochromic device cells, molybdenum oxide thin films, optical density, stoichiometry}, issn = {1567-1739}, doi = {10.1016/j.cap.2005.12.001}, author = {Sivakumar, R. and Gopinath, Chinnakonda S. and Jayachandran, M. and Sanjeeviraja, C.} } @article {Shanbhag, title = {Enantioselective syntheses of (-)-pinellic acid, alpha- and beta-dimorphecolic acid}, journal = {Tetrahedron}, volume = {63}, number = {32}, year = {2007}, month = {AUG}, pages = {7624-7633}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.11.016}, author = {Narina, Srinivasarao V. and Kumar, Talluri Siva and George, Shyla and Sudalai, Arumugam} } @article { ISI:000247278400009, title = {Enantioselective synthesis of tarchonanthuslactone using proline-catalyzed asymmetric alpha-aminooxylation}, journal = {Tetrahedron-Asymmetry}, volume = {18}, number = {8}, year = {2007}, month = {MAY}, pages = {975-981}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, keywords = {ammonia-TPD, benzylation reaction, Ce-Al-MCM-41, Friedel-Crafts alkylation, pyridine-FrIR}, issn = {0935-9648}, doi = {10.1021/jo062032w}, author = {Baruah, Pranjal K. and Sreedevi, N. K. and Gonnade, Rajesh G. and Ravindranathan, Sapna and Damodaran, Krishnan and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @conference { ISI:000291657600254, title = {Ethane bridged hybrid mesoporous silsesquioxanes with sulfonic acid functionalities: synthesis, characterization and catalytic applications}, booktitle = {From Zeolites to Porous Mof Materials: the 40th Anniversary of International Zeolite Conference, Proceedings of the 15th International Zeolite Conference}, series = {Studies in Surface Science and Catalysis}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1899-1904}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {

Periodic mesoporous organosilicas having -CH(2)-CH(2)- groups in the framewall positions and sulfonic acid groups in the pore channels were prepared using 1,2-bis(triethoxysilyl) ethane, 3-mercaptopropyltriethoxysilane and cetyltrimethylammonium surfactant, under basic conditions, by a one-pot synthesis method. XRD, N(2) sorption isotherm and TEM analysis revealed that the mesoporous structural ordering is retained after the functionalization of organic groups while solid-state NMR techniques like (13)C CP MAS NMR and (29)Si MAS NMR show the presence of sulfonic acid groups and the stability of the mesoporous framework with integrated ethane moieties as bridging groups. The hybrid material was more active, selective and stable than the conventional sulfonic acid containing mesoporous catalysts in the Claisen-Schmidt condensation of acetophenone with benzaldehyde to form chalcone.

}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Shylesh, S. and Samuel, Prinson P. and Parischa, Renu and Singh, A. P.}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000251275500002, title = {Expeditious assembly of 3,4-benzannulated 8-oxabicyclo[3.2.1]octane systems by [2+2+2] alkyne cyclotrimerisation: Total synthesis of (-)-bruguierol A}, journal = {European Journal of Organic Chemistry}, number = {33}, year = {2007}, month = {NOV}, pages = {5483-5486}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Facile construction of benzene-fused 8-oxabicyclo[3.2.1]octane systems by employing a cross alkyne cyclotrimerisation reaction was explored. With this procedure, (-)-bruguierol A was synthesised, and its absolute configuration was established.

}, keywords = {cyclotrimerisation, epoxidation, Total synthesis, Wilkinson{\textquoteright}s catalyst}, issn = {1434-193X}, doi = {10.1002/ejoc.200700648}, author = {Ramana, Chepuri V. and Salian, Sumanth R. and Gonnade, Rajesh G.} } @article { ISI:000250234900007, title = {Fabrication of an effusive molecular beam instrument for surface reaction kinetics - CO oxidation and NO reduction on Pd(111) surfaces}, journal = {Catalysis Letters}, volume = {119}, number = {1-2}, year = {2007}, month = {NOV}, pages = {50-58}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

A simple molecular beam instrument (MBI) was fabricated for measuring the fundamental parameters in catalysis such as, sticking coefficient, transient and steady state kinetics and reaction mechanism of gas/vapor phase reactions on metal surfaces. Important aspects of MBI fabrication are given in detail. Nitric oxide (NO) decomposition and NO reduction with carbon monoxide (CO) on Pd(111) surfaces were studied. Interesting results were observed for the above reactions and they support the efficiency of the MBI to derive the fundamental parameters of adsorption and catalysis. Sustenance of CO oxidation at 400 K is dependent mostly on the absence of CO-poisoning; apparently, CO + O recombination is the rate determining step \<= 400 K. NO adsorption measurements on Pd(111) surface clearly indicating a typical precursor kinetics. Displacement of the chemisorbed CO by NO on Pd(111) surfaces was observed directly with NO + CO beams in the transient kinetics. It is also relatively easy to identify the rate-determining step directly from the MBI data and the same was demonstrated for the above reactions.

}, keywords = {carbon monoxide, catalysis, kinetics, molecular beam, nitric oxide, Pd(111)}, issn = {1011-372X}, doi = {10.1007/s10562-007-9184-8}, author = {Thirunavukkarasu, Kandasamy and Gopinath, Chinnakonda S.} } @conference { ISI:000252140200008, title = {Fault diagnosis using dynamic time warping}, booktitle = {Pattern Recognition and Machine Intelligence, Proceedings}, series = {LECTURE NOTES IN COMPUTER SCIENCE}, volume = {4815}, year = {2007}, note = {2nd International Conference on Pattern Recognition and Machine Intelligence, Calcutta, INDIA, DEC 18-22, 2007}, month = {DEC}, pages = {57-66}, publisher = {Indian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure \& Appl Math; Web Intelligence Consortium; Yahoo India Res \& Dev; Philips Res Asia}, organization = {Indian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure \& Appl Math; Web Intelligence Consortium; Yahoo India Res \& Dev; Philips Res Asia}, address = {Heidelberger Platz 3, D-14197 Berlin, Germany}, abstract = {

Owing to the superiority of Dynamic Time Warping as a similarity measure of time series, it can become an effective tool for fault diagnosis in chemical process plants. However, direct application of Dynamic Time Warping can be computationally inefficient, given the complexity involved. In this work we have tackled this problem by employing a warping window constraint and a Lower Bounding measure. A novel methodology for online fault diagnosis with Dynamic Time Warping has been suggested and its performance has been investigated using two simulated case studies.

}, isbn = {978-3-540-77045-9}, issn = {0302-9743}, author = {Rajshekhar and Gupta, Ankur and Samanta, A. N. and Kulkarni, B. D. and Jayaraman, Valadi K.}, editor = {Ghosh, A. and De, R. K. and Pal, S. K.} } @article { ISI:000245291700016, title = {Finite size effects on the electrical properties of sol-gel synthesized CoFe2O4 powders: deviation from Maxwell-Wagner theory and evidence of surface polarization effects}, journal = {Journal of Physics D-Applied Physics}, volume = {40}, number = {6}, year = {2007}, month = {MAR}, pages = {1593-1602}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Fine particles of cobalt ferrite were synthesized by the sol-gel method. Subsequent heat treatment at different temperatures yielded cobalt ferrites having different grain sizes. X-ray diffraction studies were carried out to elucidate the structure of all the samples. Dielectric permittivity and ac conductivity of all the samples were evaluated as a function of frequency, temperature and grain size. The variation of permittivity and ac conductivity with frequency reveals that the dispersion is due to Maxwell-Wagner type interfacial polarization in general, with a noted variation from the expected behaviour for the cold synthesized samples. High permittivity and conductivity for small grains were explained on the basis of the correlated barrier-hopping model.

}, issn = {0022-3727}, doi = {10.1088/0022-3727/40/6/001}, author = {George, Mathew and Nair, Swapna S. and Malini, K. A. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000250755100004, title = {Fluorescence quenching and time-resolved fluorescence studies of alpha-Mannosidase from Aspergillus fischeri (NCIM 508)}, journal = {Journal of Fluorescence}, volume = {17}, number = {6}, year = {2007}, month = {NOV}, pages = {599-605}, publisher = {SPRINGER/PLENUM PUBLISHERS}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Apart from the vital role in glycoprotein biosynthesis and degradation, alpha-mannosidase is currently an important therapeutic target for the development of anticancer agents. Fluorescence quenching and time-resolved fluorescence of alpha-mannosidase, a multitryptophan protein from Aspergillus fischeri were carried out to investigate the tryptophan environment. The tryptophans were found to be differentially exposed to the solvent and were not fully accessible to the neutral quencher indicating heterogeneity in the environment. Quenching of the fluorescence by acrylamide was collisional. Surface tryptophans were found to have predominantly positively charged amino acids around them and differentially accessible to the ionic quenchers. Denaturation led to more exposure of tryptophans to the solvent and consequently in the significant increase in quenching with all the quenchers. The native enzyme showed two different lifetimes, tau (1) (1.51 ns) and tau (2) (5.99 ns). The average lifetime of the native protein (tau) (3.187 ns) was not affected much after denaturation (tau) (3.219 ns), while average lifetime of the quenched protein samples was drastically reduced (1.995 ns for acrylamide and 1.537 ns for iodide). This is an attempt towards the conformational studies of alpha-mannosidase.

}, keywords = {alpha-Mannosidase, Denaturation, fluorescence, lifetime, Solute quenching}, issn = {1053-0509}, doi = {10.1007/s10895-007-0227-8}, author = {Shashidhara, K. S. and Gaikwad, Sushama M.} } @article {sanjayan, title = {Formal synthesis of herbarumin III}, journal = {Tetrahedron-Asymmetry}, volume = {18}, number = {14}, year = {2007}, month = {JUL}, pages = {1688-1692}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An enantioselective synthesis of herbarumin III is described employing Jacobsen{\textquoteright}s hydrolytic kinetic resolution and Sharpless asymmetric dihydroxylation as the key steps. (c) 2007 Published by Elsevier Ltd.

}, keywords = {carboxymethyl-cellulase, F. moniliforme, pectate lyase, plant pathogenesis, polygalacturonase, Xylanase}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2007.07.022}, author = {Gupta, Priti and Kumar, Pradeep} } @article { ISI:000250820000027, title = {Genetic diversity analysis of mango cultivars using inter simple sequence repeat markers}, journal = {Current Science}, volume = {93}, number = {8}, year = {2007}, month = {OCT}, pages = {1135-1141}, publisher = {CURRENT SCIENCE ASSOC}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

With 33 polymorphic Inter Simple Sequence Repeat (ISSR) markers, genetic diversity among 70 mango cultivars and a distant outgroup was analysed. Clustering was done using Dice and Jaccard coefficients with bootstrapping. Multivariate analysis was conducted using the Euclidean distances. Among the total 420 bands, 408 were polymorphic. Probability that any ISSR fragment is shared by two different cultivars was calculated to be 2.54 x 10(-1). Non-Indian mango cultivars were found genetically diverged from Indian mango germ pool. No separation was observed between North Indian and South Indian cultivars. Twelve different cultivar-specific bands were detected for six cultivars, which approved the effectiveness of ISSR markers in mango genetic diversity analysis.

}, keywords = {DNA finger printing, inter simple sequence repeat, Mangifera indica, principle coordinate analysis}, issn = {0011-3891}, author = {Pandit, Sagar S. and Mitra, Sirsha Sribas and Giri, Ashok P. and Pujari, Keshav H. and Patil, Bhimarao P. and Jambhale, Narayan D. and Gupta, Vidya S.} } @conference { ISI:000252140200050, title = {Granular support vector machine based method for prediction of solubility of proteins on overexpression in Escherichia coli}, booktitle = {Pattern Recognition and Machine Intelligence, Proceedings}, series = {LECTURE NOTES IN COMPUTER SCIENCE}, volume = {4815}, year = {2007}, note = {2nd International Conference on Pattern Recognition and Machine Intelligence, Calcutta, INDIA, DEC 18-22, 2007}, month = {DEC}, pages = {406-415}, publisher = {Indian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure \& Appl Math; Web Intelligence Consortium; Yahoo India Res \& Dev; Philips Res Asia}, organization = {Indian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure \& Appl Math; Web Intelligence Consortium; Yahoo India Res \& Dev; Philips Res Asia}, address = {Heidelberger Platz 3, D-14197 Berlin, Germany}, abstract = {

We employed a granular support vector Machines(GSVM) for prediction of soluble proteins on over expression in Escherichia coli. Granular computing splits the feature space into a set of subspaces (or information granules) such as classes, subsets, clusters and intervals [14]. By the principle of divide and conquer it decomposes a. bigger complex problem into smaller and computationally simpler problems. Each of the granules is then solved independently and all the results are aggregated to form the final solution. For the purpose of granulation association rules was employed. The results indicate that a difficult imbalanced classification problem can be successfully solved by employing GSVM.

}, isbn = {978-3-540-77045-9}, issn = {0302-9743}, author = {Kumar, Pankaj and Jayaraman, Valadi K. and Kulkarni, B. D.}, editor = {Ghosh, A. and De, R. K. and Pal, S. K.} } @article { ISI:000251763600057, title = {Hydrodynamics and liquid phase residence time distribution in mesh microreactor}, journal = {Chemical Engineering Science}, volume = {62}, number = {24, SI}, year = {2007}, note = {8th International Conference on Gas-Liquid and Gas-Liquid-Solid Reactor Engineering, Indian Inst Technol Delhi, New Delhi, INDIA, DEC 16-19, 2007}, month = {DEC}, pages = {7484-7493}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

This paper is focused on the experimental analysis of residence time distribution and phase hold-up in a mesh microreactor. A microreactor, where a finely weaved mesh is sandwiched between two flat plates with specific inlets for gas and liquid, is proposed. The microvolumes formed upon sandwiching the mesh are totally connected and thus it yields a view of several interconnected microvolumes. This system is easy to build and does not need precision micromachining. A high-speed photographic analysis yielded the phase distribution for different mesh types over a wide range of operating gas and liquid flow rates. The RTD was studied by measuring the liquid phase conductivity at the outlet of the reactor. Channeling prevailed for mesh with smaller open area. The ADEM was used for fitting the tracer curves with tailing ends. The RTD and the image analysis for all the mesh types showed hysteresis when the gas flow rate was maintained constant and the liquid flow rate was gradually increased and then decreased. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {hydrodynamics, hysteresis, image analysis, microreactor, residence time distribution}, issn = {0009-2509}, doi = {10.1016/j.ces.2007.08.063}, author = {Kulkarni, A. A. and Gorasia, A. K. and Ranade, V. V.} } @conference { ISI:000291657600253, title = {Immobilization of Ntn hydrolases on APTES fuctionalized SBA-15}, booktitle = {From Zeolites to Porous Mof Materials: the 40th Anniversary of International Zeolite Conference, Proceedings of the 15th International Zeolite Conference}, series = {Studies in Surface Science and Catalysis}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1891-1898}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {

APTES Functionalized mesoporous silica SBA-15 molecular sieves have been prepared and used for immobilization of Penicillin G acylase. Physico chemical characterization was done by nitrogen adsorption, powder XRD and TEM methods to understand the nature of immobilized PGA enzyme. XRD data indicate a good mesoscopic order. The characteristic hexagonal features of SBA-15 were maintained in PGA immobilized SBA-15 samples. Incorporation of PGA does not affect the original pore structure of the parent SBA-15. The adsorption of PGA on SBA-15 from buffered solutions with a pH value, 7.8 has been studied as a model protein adsorption system. The maximum activity of the immobilized enzyme was observed at pH 7.8, slightly below the isoelectric point of the enzyme. The loading capacity of immobilized PGA is 34 mg protein per 0.5 g of SBA-15. The stability of Penicillin G acylase was enhanced by the physical entrapment in SBA-15.

}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Shah, Pallavi and Sridevi, N. and Prabhune, Asmita and Ramaswamy, Veda}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article {17}, title = {Interfacial deposition of Ag on Au seeds leading to AucoreAgshell in organic media}, journal = {Journal of Colloid and Interface Science}, volume = {312}, number = {16}, year = {2007}, month = {AUG}, pages = {498-505}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, keywords = {core-shell nanoparticles, Gold, HRTEM, interfacial seeded growth, Silver, XPS}, issn = {0021-9797}, doi = {10.1016/j.jcis.2007.03.032}, author = {Chandran, S. Prathap and Ghatak, J. and Satyam, P. V. and Sastry, Murall} } @article {2}, title = {Investigating organization of molecules that facilitates intermolecular acyl transfer in crystals: reactivity and x-ray structures of O-benzoyl-myo-inositol 1,3,5-orthoesters}, journal = {European Journal of Organic Chemsitry}, volume = {293}, number = {7}, year = {2007}, month = {FEB}, pages = {1153-1159}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{Crystal structure analysis of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthobenzoate reveals helical organization of the molecules, remarkably similar to that observed earlier in crystals of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthoformate. Both these dibenzoates are isostructural despite the bulkier phenyl substituent in place of hydrogen. The latter compound shows highly facile intermolecular benzoyl transfer reactivity in its crystals and as anticipated from the crystal structure, the orthobenzoate indeed exhibits facile benzoyl transfer reactivity in its crystals. 2-O-Benzoyl-myo-inositol 1,3,5-orthoformate and the corresponding orthobenzoate also undergo transesterification in their crystals, but the specificity of acyl transfer is very low, and the reaction yields a mixture of products. The parameters of helical molecular assembly that facilitates acyl transfer in crystals have been investigated. A comparison of the molecular assemblies and lattice interactions in crystals of all the four compounds with the observed reactivity patterns show that facile acyl transfer reaction is brought about by a modular {\textquoteleft}{\textquoteleft}reaction tunnel{\textquoteright}{\textquoteright}

}, keywords = {AOT, CdS-Ag2S, core-shell, Nanoparticles, w/o microemulsion, XPS}, issn = {0927-7757}, author = {Murali, Chebrolu and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000243268600010, title = {Lactic acid production from waste sugarcane bagasse derived cellulose}, journal = {Green Chemistry}, volume = {9}, number = {1}, year = {2007}, month = {JAN}, pages = {58-62}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Production of L(+) lactic acid from sugarcane bagasse cellulose, one of the abundant biomass materials available in India, was studied. The bagasse was chemically treated to obtain a purified bagasse cellulose sample, which is much more amenable to cellulase enzyme attack than bagasse itself. This sample, at high concentration (10\%), was hydrolyzed by cellulase enzyme preparations (10 FPU g(-1) cellulose) derived from mutants generated in our own laboratory. We obtained maximum hydrolysis (72\%), yielding glucose and cellobiose as the main end products. Lactic acid was produced from this bagasse cellulose sample by simultaneous saccharification and fermentation (SSF) in a media containing a cellulase enzyme preparation derived from Penicillium janthinellum mutant EU1 and cellobiose utilizing Lactobacillus delbrueckii mutant Uc-3. A maximum lactic acid concentration of 67 g l(-1) was produced from a concentration of 80 g l(-1) of bagasse cellulose, the highest productivity and yield being 0.93 g l(-1) h(-1) and 0.83 g g(-1), respectively. The mutant Uc-3 was found to utilize high concentrations of cellobiose (50 g l(-1)) and convert it into lactic acid in a homo-fermentative way. Considering that bagasse is a waste material available in abundance, we propose to valorize this biomass to produce cellulose and then sugars, which can be fermented to products such as ethanol and lactic acid.

}, issn = {1463-9262}, doi = {10.1039/b605839f}, author = {Adsul, Mukund G. and Varma, Anjanikumar and Gokhale, Digambar V.} } @article { ISI:000245760900020, title = {Low temperature route to prepare LaFeO3 and LaCoO3}, journal = {Materials Letters}, volume = {61}, number = {10}, year = {2007}, month = {APR}, pages = {2030-2032}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A combination of digestion and further low temperature calcination to crystallize the product was employed to prepare LaFeO3 (LF) and LaCoO3 (LC) powders. Freshly co-precipitated lanthanum and ferric (or cobalt) hydroxide gels by sodium hydroxide were allowed to react at 100 degrees C under refluxing and stirring conditions for 4-6 h. These oven dried powders were heated at 450 degrees C to from crystalline LF (or LC) powders. The phase contents and lattice parameters were investigated by X-ray diffraction (XRD). Transmission electron microscope (TEM) investigations were carried out to examine the morphology and average particle size of these powders. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, LaFeO3, Precipitation, transmission electron microscopy, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.08.009}, author = {Jadhav, A. D. and Gaikwad, A. B. and Samuel, V. and Ravi, V.} } @article { ISI:000250178900006, title = {Low temperature synthesis and NOx sensing properties of nanostructured Al-doped ZnO}, journal = {Sensors and Actuators B-Chemical}, volume = {126}, number = {2}, year = {2007}, month = {OCT}, pages = {382-386}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Although ZnO is studied intensively as a sensing material, there are limited reports available on aluminum-doped ZnO (AZO) as a NO, sensor. This paper reports selective NO, sensing characteristics of M-doped ZnO synthesized in the form of porous pellets sintered at 350 degrees C. The salient feature of our experimental results is that our sensor can detect small concentrations of NO, at lower operating temperature. It is also observed that as compared to gases such as SOx HCl, LPG, H2S, H-2, ammonia, alcohol and acetone it selectively detects NOx due to Al-doping. The amount of Al in ZnO during synthesis is varied between 1 and 10 wt\%. Our sensor senses NO, concentration as low as 20ppm at 100 degrees C with a \%response of 11 and a \%response of 740 at 300 degrees C for 1 wt\% Al. Of all the compositions with Al-doping, I wt\% is found to give best results. Sensing experiments carried out at 350 C, however. do not show any significant improvement in the gas sensing properties. The phase contents and lattice parameters were determined by XRD and the average particle size was obtained using Scherrer formula. A probable mechanism for sensing NO, involving oxygen ion adsorption and desorption on the surface of sensor has been suggested. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {aluminum doping, nanomaterial, NOx, Sensor, ZnO}, issn = {0925-4005}, doi = {10.1016/j.snb.2007.03.019}, author = {Navale, S. C. and Ravi, V. and Mulla, Imtiaz S. and Gosavi, S. W. and Kulkarni, S. K.} } @article {REDDY, title = {Macroporous beads for lipase immobilization: kinetic resolution of a racemic drug intermediate}, journal = {Journal of Bioactive and Compatible Polymers}, volume = {22}, number = {2}, year = {2007}, month = {MAR}, pages = {174-194}, publisher = {HORTICULTURAL SOC INDIA}, type = {Article}, address = {DIV FRUITS \& HORTICULTURAL TECHNOL, INDIAN AGRICULTURAL RESEARCH INST, NEW DELHI, 110 012, INDIA}, abstract = {

{Lipase isolated from Arthrobacter sp. (RRLJ-1, MTCC No. 5125, named ABL), is effective in resolving a wide range of racemic drug intermediates. In this study, ABL was immobilized on a series of synthetic macroporous epoxy copolymers beads with varying pore sizes, surface area and hydrophobicity. Poly(glycidyl methacrylate-co-ethylene dimethacrylate) beads, with 75\% crosslink density and 10\% of epoxy groups modified with dibutyl amine [

}, keywords = {auxin pulse, coco-peat, grape, micropropagation, plantlet survival}, issn = {0972-8538}, author = {Bhushan, Indu and Parshad, Rajinder and Qazi, G. N. and Ingavle, Ganesh C. and Jamalpure, Trupti M. and Rajan, C. R. and Ponrathnam, Surendra and Gupta, V. K.} } @article { ISI:000249655500007, title = {Magnetic transition and large magnetocaloric effect associated with surface spin disorder in Co and CocoreAgshell nanoparticles}, journal = {Journal of Physical Chemistry C}, volume = {111}, number = {38}, year = {2007}, month = {SEP}, pages = {14060-14066}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report a reversible, large magnetocaloric effect in the vicinity of a low-temperature magnetic transition in Co and CocoreAgshell nanoparticles synthesized using a wet chemical method. The as-synthesized assembly of the particles shows a sharp low-temperature peak in the zero-field-cooled (ZFC) magnetization well below the blocking transition temperature, and this feature is associated with the surface spin disorder. Co nanoparticles show a large increase in the magnetic entropy at around 15 K with a peak value of nearly 2.25 J/K center dot kg for an applied field of 30 kOe. A similar trend is also observed in the silver-coated Co particles. These are some of the largest NICE values observed in nanoparticles to date. The features are ascribed to the low-temperature spin-glass-like freezing transition associated with the surface spins in the shell region that is distinct from the behavior of core spins. Our studies reveal that manipulating the surface anisotropy in core-shell nanoparticles has the potential to lead to a large NICE effect and thus prove to be useful for magnetic refrigeration.

}, issn = {1932-7447}, doi = {10.1021/jp073274i}, author = {Poddar, P. and Srinath, S. and Gass, James and Bhagavatula L. V. Prasad and Srikanth, H.} } @article { ISI:000251068800001, title = {Metal complexes of crosslinked chitosans. part II. an investigation of their hydrolysis to chitooligosaccharides using chitosanase}, journal = {International Journal of Biological Macromolecules}, volume = {41}, number = {5}, year = {2007}, month = {DEC}, pages = {491-496}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This paper investigates the behavior of crosslinked chitosans and metal-complexed crosslinked chitosans under similar hydrolytic conditions. Crosslinked chitosans with trimellitic anhydride, diisocyanatohexane, and dibromodecane as crosslinking agents under heterogenous reaction conditions were used as metal complexing agents by equilibrating them with metal salts such as ZnCl2, MnSO4, CuSO4, CdSO4, Pb(NO3)(2), and HgCl2. Crosslinked chitosan without metal complexation had the same hydrolytic behavior as uncrosslinked chitosan. However, when the crosslinked chitosans were complexed with metals, their rates of hydrolysis and extent of hydrolysis were significantly reduced. Thus, while for chitosan about 840 mu g/ml reducing sugar was produced in 4 h time, and 780 mu g/ml was produced for diisocyanatohexane crosslinked chitosan, only 400 mu g/ml and 320 [mu g/ml reducing sugars were produced for cadmium sulfate with crosslinked chitosan and diisocyanatohexane crosslinked chitosan, respectively. Similar results are obtained for other crosslinking agents. Studies on preincubation of the metal with the enzyme show that of the metals studied, Mn has no effect on preincubatioin with the enzyme, Hg, Cd, Pb, and Cu completely deactivates the enzyme, while Zn reduces the enzyme activity by about 43.3\%. Preincubation of the metal salts with the chitosan shows that Hg and Cu completely deactivate the molecule from enzyme hydrolysis, Cd and Zn inactivate it to the extent of 56.8\% and 43.3\%, respectively, while Mn has no effect. Availability of the amino functions seems to be a key feature for the chitosanase to hydrolyze the chitosan polymer. This was also proved by the significant increase in the extent of hydrolysis for chitosan samples with 88\% (final value 1120 mu g/ml reducing sugar) and 85\% deacetylation (final value 840 mu g/ml reducing sugar). HPIC studies of the products show that a variety of oligomers are produced in the chitosanase enzyme hydrolytic reaction. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {chitooligosaccharides, Chitosan, chitosanase hydrolysis, Crosslinked chitosan, metal-complexed crosslinked chitosan}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2007.06.009}, author = {Trimukhe, K. D. and Bachate, S. and Gokhale, D. V. and Varma, Anjanikumar} } @article { ISI:000249699500005, title = {Mitochondrial haplotypes reveal a strong genetic structure for three Indian sheep breeds}, journal = {Animal Genetics}, volume = {38}, number = {5}, year = {2007}, month = {OCT}, pages = {460-466}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

This survey represents the first characterization of mitochondrial DNA diversity within three breeds of Indian sheep (two strains of the Deccani breed, as well as the Bannur and Garole breeds) from different geographic regions and with divergent phenotypic characteristics. A 1061-bp fragment of the mitochondrial genome spanning the control region, a portion of the 12S rRNA gene and the complete phenyl tRNA gene, was sequenced from 73 animals and compared with the corresponding published sequence from European and Asian breeds and the European Mouflon (Ovis musimon). Analysis of all 156 sequences revealed 73 haplotypes, 52 of which belonged to the Indian breeds. The three Indian breeds had no haplotypes in common, but one Indian haplotype was shared with European and other Asian breeds. The highest nucleotide and haplotype diversity was observed in the Bannur breed (0.00355 and 0.981 respectively), while the minimum was in the Sangamneri strain of the Deccani breed (0.00167 and 0.882 respectively). All 52 Indian haplotypes belonged to mitochondrial lineage A. Therefore, these Indian sheep are distinct from other Asian and European breeds studied so far. The relationships among the haplotypes showed strong breed structure and almost no introgression among these Indian breeds, consistent with Indian sheep husbandry, which discourages genetic exchange between breeds. These results have implications for the conservation of India{\textquoteright}s ovine biodiversity and suggest a common origin for the breeds investigated.

}, keywords = {Genetic diversity, Indian sheep, mitochondrial DNA, mitochondrial lineage, phylogeographic distribution, sheep domestication}, issn = {0268-9146}, doi = {10.1111/j.1365-2052.2007.01636.x}, author = {Pardeshi, V. C. and Kadoo, Narendra Y. and Sainani, Mohini N. and Meadows, J. R. S. and Kijas, J. W. and Gupta, Vidya S.} } @article { ISI:000244127600016, title = {NaIO4-mediated asymmetric bromohydroxylation of alpha,beta-unsaturated carboxamides with high diastereoselectivity: a short route to (-)-cytoxazone and droxidopa}, journal = {Tetrahedron Letter}, volume = {48}, number = {8}, year = {2007}, month = {FEB}, pages = {1375-1378}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The NaIO4-mediated asymmetric bromohydroxylation of alpha,beta-unsaturated carboxamides was achieved using lithium bromide as the bromine source under acidic conditions at rt to afford the corresponding chiral alpha-bromo-beta-hydroxy carboxamides. Excellent yields (77-90\%) and diastereoselectivities (up to 10:1) along with exclusive control over regio- as well as anti-selectivity are the main features with a good scope of substrates. The method has successfully been applied in the enantioselective syntheses of two biologically important molecules, viz (-)-cytoxazone and L-threo-DOPS (droxidopa). (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {asymmetric bromohydroxylation, Carboxamide, cytoxazone, droxidopa, NaIO4}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.12.109}, author = {George, Shyla and Narina, Srinivasarao V. and Sudalai, Arumugam} } @article { ISI:000244293000015, title = {Nitrate reductase-mediated synthesis of silver nanoparticles from AgNO3}, journal = {Biotechnology Letters}, volume = {29}, number = {3}, year = {2007}, month = {MAR}, pages = {439-445}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {Capping Peptide, enzymatic method, nitrate reductase, silver nanoparticles}, issn = {0141-5492}, doi = {10.1007/s10529-006-9256-7}, author = {Kumar, S. Anil and Abyaneh, Majid Kazemian and Gosavi, S. W. and Kulkarni, Sulabha K. and Pasricha, Renu and Ahmad, Absar and Khan, Mohammad Islam} } @article { ISI:000243164000035, title = {Novel technique to prepare LiNbO3 at low temperature}, journal = {Materials Letter}, volume = {61}, number = {3}, year = {2007}, month = {FEB}, pages = {765-766}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Fresh niobium hydroxide was first precipitated from NbF5 solution using an aqueous ammonium hydroxide under basic conditions. Then a simple procedure of mixing lithium and niobium hydroxides together and heating at a low temperature (400 degrees C) produced pure ultrafine single phase LiNbO3 (LN). In the literature, this is the lowest temperature so far reported on the formation of LN. The phase content and lattice parameters are determined by X-ray diffraction (XRD). The average particle size and morphology were studied by transmission electron microscopy (TEM). (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, Electron microscopy, electronic materials, LiNbO3, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.05.056}, author = {Samuel, V. and Gaikwad, A. B. and Jadhav, A. D. and Mirji, S. A. and Ravi, V.} } @article {42750, title = {O-2-Naphthyl diphenylthiophosphinate}, journal = {Acta Crystallographica Section E-Crystallographic Communications}, volume = {63}, year = {2007}, month = {DEC}, pages = {4644}, type = {Article}, abstract = {

The mol-ecule of the title compound, C10H7OP(S)(C6H5)2 or C22H17OPS, exhibits distorted tetra-hedral geometry about the P atom. The P=S bond of 1.9355 (4) {\r A} is shorter than that found in Ph3P=S [1.950 (3) {\r A}] because the replacement of one carbon on phospho-rus by oxygen increases the effective electronegativity of the P atom, thereby enhancing pπ{\textendash}dπ back-donation from a lone-pair orbital of the S atom.

}, doi = {10.1107/S1600536807056127}, author = {Mague, Joel T. and Punji, Benudhar and Ganesamoorthy, Chelladurai and Balakrishna, Maravanji S.} } @article {43290, title = {One-step preparation of alpha-chlorostyrenes}, journal = {Tetrahedron Letters}, volume = {48}, year = {2007}, month = {JUL}, pages = {4869-4872}, abstract = {alpha-Chlorostyrenes were prepared via a one-step method involving Friedel-Crafts reaction of various aromatic substrates with acid chlorides in the presence of a heterogeneous Si-Fe catalyst. (c) 2007 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2007.05.065}, author = {Borate, Hanumant B. and Galkwad, Abaji G. and Maujan, Suleman R. and Sawargave, Sangmeshwer P. and Kalal, Kamalakar M.} } @article { ISI:000245141300053, title = {Photodegradation of ethylene/propylene/polar monomers, Co-, and terpolymers. II. prepared by Ni catalyst systems}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {3}, year = {2007}, month = {MAY}, pages = {1783-1791}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The copolymers of ethylene/propylene as well as their terpolymers with polar monomers were prepared by Ni-catalyst systems and their photodegradation behavior was studied by Fourier transform infrared spectroscopy. The polar monomers used to synthesize co- and terpolymers of ethylene/propylene/polar monomer were 5-hexen-1-ol, 10-undecen-1-ol, acrylamide, methylmethacrylate, acrylonitrile, and methylvinyl ketone. The morphological changes of the irradiated samples were determined by scanning electron microscopy. The photodegradation kinetics has also been studied. The surface damage caused by polychromatic irradiation (lambda \>= 290 nm) at 55 degrees C in atmospheric air is presented in different micrographs. The rate of photo-oxidative degradation is very fast in terpolymers containing polar monomers as compared with copolymers and homopolymers. The morphological study of the photodegraded samples showed a very good correlation with the photodegraded results. (c) 2007 Wiley Periodicals, Inc.

}, keywords = {copolymerization, Ethylene, Photodegradation, polar monomers, propylene}, issn = {0021-8995}, doi = {10.1002/app.25828}, author = {Fernandes, Susete N. and Correia, Sandra and Matos, Ines and Marques, Maria M. and Rana, Sravendra and Kumar, Bijandra and Gupta, M. K. and Singh, R. P.} } @article { ISI:000246552100042, title = {Poly(o-anisidine) films on mild steel: electrochemical synthesis and biosensor application}, journal = {Journal of Physics D-Applied Physics}, volume = {40}, number = {8}, year = {2007}, month = {APR}, pages = {2555-2562}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Poly(o-anisidine) (POA) films were synthesized on mild steel from an aqueous oxalic acid solution by electrochemical polymerization of o-anisidine using cyclic voltammetry. These films were characterized by cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared (FTIR) spectroscopy and scanning electron microscopy (SEM). The enzyme glucose oxidase (GOx) was entrapped into the POA film by a physical adsorption method. The resulting POA-GOx films were characterized by UV-visible absorption spectroscopy, FTIR and SEM. The amperometric response of the POA-GOx films was measured as a function of glucose concentration in phosphate buffer solution (pH 7.3). The POA-GOx films exhibited a fast amperometric response (1-5 s) and a linear response in the range of 2-20 mM glucose. The maximum current density and Michaelis-Menten constant of POA/GOx films were found to be similar to 406 mu A cm(-2) and 1.03 mM, respectively. The shelf stability, operational stability and thermal stability of these films were also investigated.

}, issn = {0022-3727}, doi = {10.1088/0022-3727/40/8/021}, author = {Patil, Dewyani and Gaikwad, A. B. and Patil, Pradip} } @article { ISI:000246260000011, title = {Preparation of nanocrystalline ferroelectric CaBi4Ti4O15 by citrate gel method}, journal = {Ceramics International}, volume = {33}, number = {4}, year = {2007}, month = {JAN}, pages = {569-571}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A gel was formed when an aqueous solution of CaCl2, BiNO3, TiOCl2 and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 700 degrees C produced nano crystallites of the ternary oxide, CaBi4Ti4O15 (CBT). The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). The room temperature dielectric constant at 1 kHz is 390. The ferroelectric hysteresis loop parameters of these samples were also studied by a home-built Sawyer-tower circuit. (c) 2006 Elsevier Ltd and Techna Group S.H. All rights reserved.

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2005.11.006}, author = {Murugan, A. Vadivel and Gaikwad, A. B. and Samuel, V. and Ravi, V.} } @article { ISI:000245563300037, title = {Protecting group directed ring-closing metathesis (RCM): the first total synthesis of an anti-malarial nonenolide}, journal = {Tetrahedron Letters}, volume = {48}, number = {14}, year = {2007}, month = {APR}, pages = {2621-2625}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The first synthesis of a newly found naturally occurring anti-malarial nonenolide is described. A pivotal step in the synthesis is the ring-closing metathesis of a dienoic ester prepared by coupling an acid and alcohol that were stereoselectively synthesized from (S)-alpha-hydroxy-gamma-butyrolactone and 1,2-O-isopropylidene D-glyceraldchyde, respectively. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2-O-isopropylidene, anti-malarial agent, D-glyceraldehyde, Nonenolide, Ring-closing metathesis, Yamaguchi esterification}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.02.040}, author = {Mohapatra, Debendra K. and Ramesh, Dhondi K. and Giardello, Michael A. and Chorghade, Mukund S. and Gurjar, Mukund K. and Grubbs, Robert H.} } @article { ISI:000244979700010, title = {Quick method for isolating RNA from raw and ripe fleshy fruits as well as for co-isolating DNA and RNA from polysaccharide- and polyphenol-rich leaf tissues}, journal = {Journal of Plant Biology}, volume = {50}, number = {1}, year = {2007}, month = {FEB}, pages = {60-64}, publisher = {BOTANICAL SOCIETY OF KOREA}, type = {Article}, address = {CATHOLIC UNIV KOREA, DEPT LIFE SCIENCES, PUCHON 420-743, SOUTH KOREA}, abstract = {

Qualitative and quantitative changes in its chemical composition make it difficult to use any single procedure for isolating good-quality RNA from fruits at various ripening stages. Although the CTAB method has eliminated some specific problems, e.g., low pH in raw fruit or high levels of polysaccharides, oligosaccharides and phenolics in raw and ripe fruits, the total time required is long and unsuitable for high throughput. Here, we successfully modified this CTAB protocol to isolate good-quality RNA from (i) fleshy fruits, especially raw and ripe mangos; (ii) the leaves of a succulent air plant; and (iii) an oligosaccharide-rich onion epidermis. This RNA proved useful for downstream transcriptomic applications, where RT-PCR followed by RACE yielded the complete open reading frame of the (mango) terpene synthase gene. We also extended the utility of this protocol to co-isolate good-quality genomic DNA from the supernatant that remained after RNA precipitation. This preparation was useful for the arbitrary primer multilocus amplification of genomic DNA as well as for single locus diversity marker amplifications of the ctDNA and mtDNA.

}, keywords = {DNA-RNA co-isolation, fleshy fruit, Mango, oligosaccharide-rich, Ripening, transcriptomic studies}, issn = {1226-9239}, author = {Pandit, Sagar Subhash and Mitra, Sirsha Sribas and Giri, Ashok P. and Gupta, Vidya Shrikant} } @article { ISI:000246492900025, title = {Rotary Cement Kiln Simulator (RoCKS): integrated modeling of pre-heater, calciner, kiln and clinker cooler}, journal = {Chemical Engineering Science}, volume = {62}, number = {9}, year = {2007}, month = {MAY}, pages = {2590-2607}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

This paper presents an integrated reaction engineering based mathematical model for clinker formation in cement industry. Separate models for pre-heater, calciner, rotary kiln and cooler were initially developed and coupled together to build an integrated simulator. Appropriate models for simulating gas-solid contact and heat transfer in pre-heaters were developed. Calciner was modeled by considering simultaneous combustion of coal particles and calcination of raw meal. Complex heat transfer and reactions (solid-solid, gas-solid and homogeneous reactions in gas phase) in rotary kiln were modeled using three sub-models coupled to each other. Solid-solid reactions in the bed region of the kiln were modeled using pseudo-homogeneous approximation. Melting of solids in the bed and formation of coating within the kiln were accounted. Clinker cooler was simulated by developing a two-dimensional model to capture cross-flow heat transfer between air and hot clinkers. The individual models were coupled with each other via mass and energy communication through common boundaries. The coupled model equations were solved iteratively. The model predictions agree well with the observations and experience from cement industry. The model was used to gain better understanding of influence of operating conditions on energy consumption in cement plant. Several ways for reducing energy consumption were computationally investigated. The integrated model, the developed software RoCKS (for Rotary Cement Kiln Simulator) and results presented here will be useful for enhancing our understanding and for enhancing the performance of clinker manufacturing. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {cement, energy consumption, reaction engineering model}, issn = {0009-2509}, doi = {10.1016/j.ces.2007.01.063}, author = {Mujumdar, Kaustubh S. and Ganesh, K. V. and Kulkarni, Sarita B. and Ranade, Vivek 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 { 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 { 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: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 {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: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: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: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: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: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.} } @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: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: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: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 { 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:000248795100038, title = {Titania nanoparticles synthesis in mesoporous molecular sieve MCM-41}, journal = {Journal of Colloid and Interface Science}, volume = {314}, number = {1}, year = {2007}, month = {OCT}, pages = {310-316}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Nanocrystalline titanium oxide (TiO2) is one of the most useful oxide material, because of its widespread applications in photocatalysis, solar energy conversion, sensors and optoelectronics. The control of particle size and monodispersity of TiO2 nanoparticles is a challenging task. The use of MCM-41, an inorganic template of uniform pore size (2-10 nm), can overcome this difficulty and produce stable nanoparticles of uniform size and shape. Here, we demonstrate the synthesis of titania nanoparticles inside the pores of silica based MCM-41 forming a TiO2/Si-MCM composite. Composites are formed in the alcoholic medium by incipient wetness impregnation method. Titania particles of average 3 nm size are obtained. Effect of silica and titania precursors on the quality of nanoparticles has been investigated. The characterization of titania-MCM-41 composites has been carried out using a variety of techniques like UV-vis absorption spectroscopy, X-ray diffraction, FT-IR spectroscopy, X-ray photoelectron spectroscopy, transmission electron microscopy and photoluminescence spectroscopy. It has been found that the titania particles are co-ordinated with Si-MCM by Si-O-Ti covalent bond. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {incipient wetness impregnation, Mesoporous material, template, titania}, issn = {0021-9797}, doi = {10.1016/j.jcis.2007.05.069}, author = {Lihitkar, N. B. and Abyaneh, Majid Kazemian and Samuel, V. and Pasricha, R. and Gosavi, S. W. and Kulkarni, S. K.} } @article {42816, title = {Total syntheses of schulzeines B and C}, journal = {Journal of Organic Chemistry}, volume = {72}, year = {2007}, month = {AUG}, pages = {6591-6594}, type = {Article}, abstract = {

Schulzeines B (2) and C (3) were synthesized by a convergent strategy using epimeric tricyclic lactam building blocks, 4 and 5, and the C28 fatty acid side chain 6. Syntheses of tricyclic lactams (4/5) were achieved by Bischler-Napieralski reaction. Sharpless asymmetric dihy-droxylation and BINAL-H-mediated asymmetric reduction of an enone was employed to prepare the key fatty acid side chain 6. The spectral as well as analytical data of 2 and 3 were in good agreement with the reported data for the natural products, thus confirming their assigned structures.

}, keywords = {Alpha-Glucosidase Inhibitors; Asymmetric Dihydroxylation; Adjuvant Activity; Pinellic Acid; Ketones; Reduction; Reagents; Configuration; Imbricatine;Alkaloids}, doi = {10.1021/jo070560h}, author = {Gurjar, Mukund K. and Pramanik, Chinmoy and Bhattasali, Debabrata and Ramana, Chepuri V. and Mohapatra, Debendra K.} } @article { ISI:000243703200018, title = {Total synthesis of pachastrissamine (jaspine B) enantiomers from D-glucose}, journal = {Tetrahedron Letters}, volume = {48}, number = {2}, year = {2007}, month = {JAN}, pages = {265-268}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthesis of both enantiomers of pachastrissamine is described from a common chiral template. The stereoselective construction of the central tetrahydrofuran units was based on the pseudodesymmetrization of a pentodialdo-1,4-furanose derivative taking advantage of the latent symmetry present. (c) 2006 Published by Elsevier Ltd.

}, keywords = {4-furanose, chiron approach, Ohira-Bestmann reaction, pachastrissamine/jaspine B, pentodialdo-1, ring isomerization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.11.048}, author = {Ramana, C. V. and Giri, Awadut G. and Suryawanshi, Sharad B. and Gonnade, Rajesh G.} } @article { ISI:000249308700005, title = {Towards the enantioselective synthesis of anti-HIV agents litseaverticillols C and K from D-glucose}, journal = {Tetrahedron}, volume = {63}, number = {12}, year = {2007}, month = {MAR}, pages = {2613-2621}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The first enantioselective synthesis towards the litseaverticillols C and K has been achieved, from D-glucose, using the ring closing metathesis (RCM) and Wittig reactions as key steps. (c) 2007 Elsevier Ltd. All rights reserved.

}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.01.037}, author = {Mohapatra, Debendra K. and Mondal, Dhananjoy and Guriar, Mukund K.} } @article { ISI:000249949800021, title = {Transesterification of alpha-haloesters and beta-ketoesters over Mg-Al-hydrotalcites (HT)-like anionic clays}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {276}, number = {1-2}, year = {2007}, month = {OCT}, pages = {158-161}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Transesterification of alpha-haloesters was achieved by reaction of alcohols in the presence of Mg-Al-HT-like anionic clays. beta-Ketoesters were also transesterified under similar conditions on reaction with alcohols with a wide variety of functional groups. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {alpha-haloesters, beta-ketoesters, heterogeneous catalyst, Hydrotalcites, transesterification}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.07.006}, author = {Bulbule, Vivek J. and Borate, Hanumant B. and Munot, Yogesh S. and Deshpande, Vishnu H. and Sawargave, Sangmeshwer P. and Gaikwad, Abaji G.} } @conference { ISI:000291657600173, title = {Tungstophosphoric acid and zirconia supported on mesoporous silica catalyst in veratrole acetylation}, booktitle = {From ZEOLITES to Porous Mof Materials: The 40th Anniversary of International ZEOLITE Conference, Proceedings of The 15th International ZEOLITE Conference}, series = {Studies in Surface Science and Catalysis}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1325-1330}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {

Tungstophosphoric acid (TPA) over zirconia dispersed uniformly in mesoporous silica (MS) channels of MCM-41 and MCM-48 was synthesised and tested for its catalytic activity in veratrole acetylation. Catalysts with different TPA loadings (5 to 50 wt.\%) on 22.4 wt.\% ZrO(2)/MCM-41 and 15 wt.\% TPA on different zirconia loadings (10-70 wt.\%)/MCM-41 were prepared and calcined at 1123 K. Catalysts were characterised by known techniques. Mesoporous silica supports play an important role in stabilising catalytically active TPA along with tetragonal phase of zirconia. Among the catalysts, 15 wt.\% TPA/22.4 wt.\% ZrO(2)/MCM-41 calcined at 1123 K was found to have the highest acidity and be at least four times more active than neat 15 wt.\% TPA/ZrO(2) in veratrole acetylation to acetoveratrone by acetic anhydride.

}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Halligudi, Shivaraj B.}, editor = {Xu, R. and Gao, Z. and Chen, J. and Yan, W.} } @article { ISI:000251868800001, title = {Versatile method for the preparation of conjugates of peptides with DNA/PNA/analog by employing chemo-selective click reaction in water}, journal = {Nucleic Acids Research}, volume = {35}, number = {21}, year = {2007}, month = {DEC}, pages = {e139}, publisher = {OXFORD UNIV PRESS}, type = {Article}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {

The specific 1,3 dipolar Hisgen cycloaddition reaction known as {\textquoteleft}click-reaction{\textquoteright} between azide and alkyne groups is employed for the synthesis of peptideoligonucleotide conjugates. The peptide nucleic acids (PNA)/DNA and peptides may be appended either by azide or alkyne groups. The cycloaddition reaction between the azide and alkyne appended substrates allows the synthesis of the desired conjugates in high purity and yields irrespective of the sequence and functional groups on either of the two substrates. The versatile approach could also be employed to generate the conjugates of peptides with thioacetamido nucleic acid (TANA) analog. The click reaction is catalyzed by Cu (I) in either water or in organic medium. In water, similar to 3-fold excess of the peptide-alkyne/azide drives the reaction to completion in 2 h with no side products.

}, issn = {0305-1048}, doi = {10.1093/nar/gkm935}, author = {Gogoi, Khirud and Mane, Meenakshi V. and Kunte, Sunita S. and Kumar, Vaijayanti A.} } @article { ISI:000254804700001, title = {2(7-3) fractional factorial optimization of polybenzimidazole based membrane electrode assemblies for H-2/O-2 fuel cells}, journal = {Journal of Applied Electrochemistry}, volume = {38}, number = {5}, year = {2008}, month = {MAY}, pages = {583-590}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

We describe the usefulness of a statistical fractional factorial design to obtain consistent and reproducible behavior of a membrane-electrode-assembly (MEA) based on a phosphoric acid (PA) doped polybenzimidazole (PBI) membrane, which allows a H-2/O-2 fuel cell to operate above 150 degrees C. Different parameters involved during the MEA fabrication including the catalyst loading, amount of binder, processing conditions like temperature and compaction load and also the amount of carbon in the gas diffusion layers (GDL) have been systematically varied according to a 2(7-3) fractional factorial design and the data thus obtained have been analyzed using Yates{\textquoteright}s algorithm. The mean effects estimated in this way suggest the crucial role played by carbon loading in the gas diffusion layer, hot compaction temperature and the binder to catalyst ratio in the catalyst layer for enabling continuous performance. These statistically designed electrodes provide a maximum current density and power density of 1,800 mA cm(-2) and 280 mW cm(-2), respectively, at 160 degrees C using hydrogen and oxygen under ambient pressure.

}, keywords = {Carbon loading, Fractional factorial optimization, MEA, PBI, PEMFC}, issn = {0021-891X}, doi = {10.1007/s10800-007-9475-1}, author = {Kannan, Ramaiyan and Islam, Md. Nazrul and Rathod, D. and Vijay, M. and Kharul, Ulhas K. and Ghosh, P. C. and Vijayamohanan, K.} } @article { ISI:000258784000005, title = {Antibacterial activity of synthesized 2,4,5-trisubstituted imidazole derivatives}, journal = {Chemical Biology \& Drug Design}, volume = {72}, number = {3}, year = {2008}, month = {SEP}, pages = {197-204}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Some novel chemically synthesized 2,4,5-trisubstituted imidazoles from aryl aldehydes and 1,2-diketones or alpha-hydroxyketone were screened against eight different human pathogenic bacteria and fungi. Seven compounds were found to be active against different bacteria. These compounds showed variation in activity and were found to be active against Gram-positive as well as Gram-negative bacteria. Compound 4-(4,5-diphenyl-1H-imidazol-2-yl)-phenol, 3d was the only compound which showed activity against Klebsiella pneumoniae while rest of the compounds did not show significant activity against this micro-organism. Minimum inhibitory concentrations of the compounds were in the range of 0.50 to 6.1 mu g/mL and minimum bactericidal concentration ranges from 1.11 to 12.9 mu g/mL. The candidature of active compounds to be an effective and novel drug was examined based on Lipinski{\textquoteright}s rule of Five which explained ClogP, LogS, H-bond acceptors, H-Bond donors and rotational bonds. Compounds 3a-d and 3f satisfies Lipinski{\textquoteright}s rule of Five and could be proposed as potent new antibacterial drugs.

}, keywords = {1, 2, 2-Diketones, 4, 5-trisubstituted imidazoles, alpha-hydroxyketone, antibacterial activity, aryl aldehydes}, issn = {1747-0277}, doi = {10.1111/j.1747-0285.2008.00691.x}, author = {Khan, Mohd Sajid and Siddiqui, Shafi Ahmad and Siddiqui, Mohammad Shaik Rafi Ahmad and Goswami, Usha and Srinivasan, Kumar Venkatraman and Khan, Mohammad Islam} } @article { ISI:000255661000004, title = {Atomic sizes and atomic properties}, journal = {Journal of Physics B-Atomic Molecular and Optical Physics}, volume = {41}, number = {10}, year = {2008}, month = {MAY}, pages = {105002}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

We examine the dependence of atomic properties on a new atomic size, r(n)(Z)(c), that has been rigorously defined by the presence of an interaction without depending on the strength or nature of the interaction. We have thus related the static dielectric polarizability radius, r(alpha), the inverse of the first ionization potential, I(-1), the inverse of Pauling electronegativity scale, chi(-1)(P) and the size CR of atoms that contribute to interatomic distance involving atoms of the main group elements in the periodic table. There is a linear relationship between r(n)(Z)(c) and a size-dependent atomic property P of the form P = C(P)r(atom) + D(P), where r(atom) is a simple and transparent function of r(n)(Z)(c) and DP is simply related to the property of the hydrogen atom, except for P = I(-1) when DP is a property of the occupancy of the valence s-and p-electrons. We find a strict criterion for metallicity in elements based on atomic sizes and show how this criterion can be used to account for changes in descriptions of interatomic distance for gas-phase MX compounds of metallic elements.

}, issn = {0953-4075}, doi = {10.1088/0953-4075/41/10/105002}, author = {Ganguly, P.} } @proceedings { ISI:000257623000146, title = {Blob-spring model for the dynamics of ring polymer in obstacle environment}, volume = {1027}, year = {2008}, note = {15th International Congress on Rheology/80th Annual Meeting of the Society-of-Rheology, Monterey, CA, AUG 03-08, 2008}, month = {AUG}, pages = {445-447}, publisher = {Soc Rheol}, address = {2 Huntington Quadrangle, STE 1no1, Melville, NY 11747-4501 USA}, abstract = {

The dynamical behavior of cyclic macromolecules in a fixed obstacle (FO) environment is very different than the behavior of linear chains in the same topological environment; while the latter relax by a snake-like reptational motion from their chain ends(1) the former can relax only by contour length fluctuations since they are endless.(2) Duke, Obukhov and Rubinstein proposed a scaling model (the DOR model) to interpret the dynamical scaling exponents shown by Monte Carlo simulations of rings in a FO environment.(2) We present a model (blob-spring model) to describe the dynamics of flexible and non-concatenated ring polymer in FO environment based on a theoretical formulation developed for the dynamics of an unentangled fractal polymer.(3) We argue that the perpetual evolution of ring perimeter by the motion of contour segments results in an extra frictional load. Our model predicts self-similar dynamics with scaling exponents for the molecular weight dependence of diffusion coefficient and relaxation times that are in agreement with the scaling model proposed by Obukhov et al.(2).

}, keywords = {fractal polymer dynamics, linear viscoelasticity, ring polymer dynamics}, isbn = {978-0-7354-0549-3}, issn = {0094-243X}, author = {Lele, Ashish K. and Iyer, Balaji V. S. and Juvekar, Vinay A.}, editor = {Co, A. and Leal, L. G. and Colby, R. H. and Giacomin, A. J.} } @article { ISI:000260756600004, title = {Carbohydrate templates for the synthesis of prototype renin inhibitors}, journal = {Tetrahedron-Asymmetry}, volume = {19}, number = {18}, year = {2008}, month = {SEP}, pages = {2123-2129}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A concise synthesis of a prototype renin inhibitor and its 7-epimer has been accomplished starting from readily available D-glucose. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2008.08.007}, author = {Mohapatra, Debendra K. and Sahoo, Gokarneswar and Sankar, Kuppusamy and Gurjar, Mukund K.} } @article { ISI:000256929600004, title = {Cationic polymerization of epoxides using novel xanthenyl phosphonium salts as thermo-latent initiator}, journal = {Polymer Bulletin}, volume = {60}, number = {6}, year = {2008}, month = {JUN}, pages = {755-763}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The present article describes the effect of steric and electronic factors on the efficiency of initiators based on novel xanthenyl phosphonium salts for cationic polymerization of epoxide monomers. 2-substituted (I(H), I(Cl), I(Me), and I(OMe)) xanthenyl phosphonium hexafluoroantimonate were synthesized and characterized by NMR ((1)H, (13)C and (31)P) and IR spectroscopy. The order of initiator activity in polymerization of glycidyl phenyl ether (GPE), was found as I(H)\> I(Cl)\> I(Me)\> I(OMe). To understand the effect of steric factor, the polymerization of cyclohexene oxide (CHO) was performed and the order of activity was found as I(Cl)\> I(H)\> I(Me) \> I(OMe). All the initiators were found to be latent at ambient temperature and initiates polymerization on thermal initiation. The order of initiator activity was influenced by electronic and steric factors in the system. The thermal stability of these salts was measured by Thermo gravimetric analysis (TGA). The solubility of the initiators in various organic solvents and epoxy monomers is also discussed.

}, issn = {0170-0839}, doi = {10.1007/s00289-008-0910-1}, author = {Gupta, Mukesh Kumar and Singh, Raj Pal} } @article { ISI:000262796500004, title = {Characterization of MoSe2 thin film deposited at room temperature from solution phase}, journal = {Journal of Crystal Growth}, volume = {311}, number = {1}, year = {2008}, month = {DEC}, pages = {15-19}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple, low-temperature method has been developed to synthesis molybdenum diselenide semiconductor thin films, based on the chemical reaction of conlplexed ammonium molybdate, hydrazine hydrate and sodium Selenosulphate in aqueous alkaline medium. The deposition parameter of the MoSe2 thin film is interpreted in the present investigation. The films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), optical absorption and electrical measurements. The deposited film was found to be polycrystalline in hexagonal form. The direct band gap {\textquoteleft}E-g{\textquoteright} for the film was found to be 1.43eV and electrical conductivity in the order of 10(-2)(Omega cm)(-1) with n-type conduction mechanism. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Crystal morphology, Growth from solution, Inorganic compound, Polycrystalline deposition, Semiconducting materials, X-ray diffraction}, issn = {0022-0248}, doi = {10.1016/j.jcrysgro.2008.09.188}, author = {Hankare, P. P. and Patil, A. A. and Chate, P. A. and Garadkar, K. M. and Sathe, D. J. and Manikshete, A. H. and Mulla, Imtiaz S.} } @article { ISI:000252757100011, title = {Chimeric (alpha-amino acid plus nucleoside-beta-amino acid)(n) peptide oligomers show sequence specific DNA/RNA recognition}, journal = {Chemical Communications}, number = {6}, year = {2008}, month = {JAN}, pages = {706-708}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An alpha/beta-peptide backbone oligonucleotide comprising natural alpha-amino acids alternating with a beta-amino acid component derived from thymidine sequence specifically recognizes and binds to deoxy- and ribo-oligoadenylates in triplex mode.

}, issn = {1359-7345}, doi = {10.1039/b716835g}, author = {Gogoi, Khirud and Kumar, Vaijayanti A.} } @article { ISI:000252416000015, title = {Co : CdS diluted magnetic semiconductor nanoparticles: radiation synthesis, dopant-defect complex formation, and unexpected magnetism}, journal = {Chemistry of Materials}, volume = {20}, number = {2}, year = {2008}, month = {JAN}, pages = {440-446}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Incorporating a dopant into a nanoparticle is a nontrivial proposition in view of the size dependent surface versus bulk energy considerations and the intrinsic proximity of the surface to the interior, which facilitates migration to the surface. If realized and controlled, however, it can open up new avenues to novel nanomaterials. Some previous studies have shown the dopability of nanosystems but only with specific surface functionalization. Here, we demonstrate the successful dopant incorporation via a new route of pulsed high energy electron induced synthesis. We choose a system Co:CdS (dilutely cobalt doped cadmium sulfide) in view of the well-known application-worthy properties of CdS and the potential possibility of its conversion to a diluted magnetic semiconductor of interest to spintronics. By using various techniques, we show that matrix incorporation and uniform distribution of cobalt are realized in US nanocrystals without the need for additional chemical or physical manipulation. Optical and photoluminescence properties also support dopant incorporation. Interestingly, although magnetism is realized, it is weak, and it decreases at higher cobalt concentration. First principle density functional calculations are performed to understand this counterintuitive behavior. These calculations suggest that the introduction of parent cation or anion vacancies lead to magnetic moment reduction, albeit marginally. However, with some Co impurity fraction in the octahedral interstitial site inside the wurtzite cage, the magnetic moment drops down drastically. This study reveals that defect states may have an interesting role in dopant stabilization in nanosystems, with interesting system dependent consequences for the properties.

}, issn = {0897-4756}, doi = {10.1021/cm702118w}, author = {Bogle, Kashinath A. and Ghosh, Saurabh and Dhole, Sanjay D. and Bhoraskar, Vasant N. and Fu, Lian-feng and Chi, Miao-Fang and Browning, Nigel D. and Kundaliya, Darshan and Das, Gour P. and Ogale, Satishchandra B.} } @article { ISI:000253511900004, title = {Comparative study of structural, acidic and hydrophilic properties of Sn-BEA with Ti-BEA using periodic density functional theory}, journal = {Journal of Physical Chemistry B}, volume = {112}, number = {9}, year = {2008}, month = {MAR}, pages = {2573-2579}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Periodic density functional theory has been employed to characterize the differences in the structural, Lewis acidic and hydrophilic properties of Sn-BEA and Ti-BEA. We show that the incorporation of Sri increases the Lewis acidity of BEA compared to the incorporation of Ti. Hence, the present work gives insight into the role of Sn in increasing the efficiency of the oxidation reactions. The results also justify that the percentage of Sri substituted in BEA is less than Ti. The structural analysis shows that the first coordination shell of Sri is larger than that of Ti. However, the second coordination of both sites remains the same. The water adsorption properties of these substituted zeolites are quantified. Moreover, we explain the higher Lewis acidity of Sn than the Ti site on the basis of the Fukui functions and charge population analysis.

}, issn = {1520-6106}, doi = {10.1021/jp709846s}, author = {Shetty, Sharan and Kulkarni, Bhakti S. and Kanhere, Dilip G. and Goursot, Annick and Pal, Sourav} } @article { ISI:000259622100005, title = {Comparison of Metarhizium isolates for biocontrol of helicoverpa armigera (Lepidoptera : Noctuidae) in chickpea}, journal = {Biocontrol Science and Technology}, volume = {18}, number = {8}, year = {2008}, month = {FEB}, pages = {809-828}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Metarhizium isolates from soil (53) and insect hosts (10) were evaluated for extracellular production of cuticle degrading enzyme (CDE) activities such as chitinase, chitin deacetylase (CDA), chitosanase, protease and lipase. Regression analysis demonstrated the relation of CDE activities with Helicoverpa armigera mortality. On basis of this relation, ten isolates were selected for further evaluation. Subsequently, based on LT(50) of the 10 isolates towards H. armigera, five isolates were selected. Out of these five isolates, three were selected on the basis of higher conidia production (60-75 g/kg rice), faster sedimentation time (ST(50)) (2.3-2.65 h in 0.1\% (w/v) Tween 80) and lower LC(50) (1.4- 5.7 x 10(3) conidia/mL) against H. armigera. Finally, three Metarhizium isolates were selected for the molecular fingerprinting using ITS sequencing and RAPD patterning. All three isolates, M34412, M34311 and M81123, showed comparable RAPD patterns with a 935G primer. These were further evaluated for their field performance against H. armigera in a chickpea crop. The percent efficacies with the three Metarhizium isolates were from 65 to 72\%, which was comparable to the chemical insecticide, endosulfan (74\%).

}, keywords = {appressorium formation, chitin deacetylase, chitinase, chitosanase, Helicoverpa armigera, Lipase, Metarhizium anisopliae, Protease}, issn = {0958-3157}, doi = {10.1080/09583150802366475}, author = {Kulkarni, Shuklangi A. and Ghormade, Vandana and Kulkarni, Girish and Kapoor, Manisha and Chavan, Santosh B. and Rajendran, Armugam and Patil, Sanjay K. and Shouche, Yogesh and Deshpande, Mukund V.} } @article { ISI:000256603500023, title = {Controlled synthesis of ZnO from nanospheres to micro-rods and its gas sensing studies}, journal = {Talanta}, volume = {75}, number = {5}, year = {2008}, month = {JUN}, pages = {1315-1319}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

1D ZnO rods are synthesized using less explored hydrazine method. Here we find, besides being combustible hydrazine can also be used as a structure-directing agent. The ratio of zinc nitrate (ZN) to hydrazine is found to control the morphology of ZnO. At lower concentration of ZN as compared with hydrazine the morphology of ZnO is found to be spherical. As we increase the hydrazine content the morphology changes from spherical (diameter similar to 100 nm) to the elongated structures including shapes like Y, T as well dumbbell (diameter similar to 40 nm and length similar to 150 nm). Interestingly for more than 50\% of hydrazine ZnO micro-rods are formed. Such rods are of diameter similar to 120 mn having length of about 1 mu m for ZN to hydrazine ratio of 1:9, isolated as well as bundle of rods are seen in scanning electron microscopy (SEM). The X-ray diffraction (XRD) reveals the phase formation with average particle size of 37 nm as calculated using Scherrer{\textquoteright}s formula. The high-resolution transmission electron microscopy (HRTEM) is also done to confirm the d-spacing in ZnO. Gas sensing study for these samples shows high efficiency and selectivity towards LPG at all operating temperatures. Photoluminescence (PL) study for these samples is performed at room temperature to find potential application as photoelectric material. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Hydrazine, LPG sensor, Nanostructures, photoluminescence, ZnO}, issn = {0039-9140}, doi = {10.1016/j.talanta.2008.01.063}, author = {Navale, Shalaka C. and Gosavi, S. W. and Mulla, Imtiaz S.} } @article { ISI:000254698300035, title = {Co-precipitation method for preparation of Bi3TiNbO9 powders}, journal = {Ceramics International}, volume = {34}, number = {3}, year = {2008}, month = {APR}, pages = {675-677}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A simple co-precipitation technique has been successfully used for the preparation of pure, ultrafine, single phase Bi3TiNbO9 (BTN). An aqueous ammonium hydroxide solution was used to simultaneously precipitate Bi3+, Ti4+ and Nb5+, cations as hydroxides under basic conditions (pH similar to 9). No pyrochlore phase was found while heating powder at 500 degrees C and pure BTN phase was found to be formed by X-ray diffraction (XRD). For comparison, BTN samples were also synthesized by the traditional solid state method. The sequence of phase formation in both cases were investigated by XRD studies. (c) 2007 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {Ceramics, Chemical synthesis, electronic material, Oxides, XRD}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2007.02.002}, author = {Gupta, U. N. and Samuel, V. and Muthurajan, H. and Kumar, H. H. and Patil, S. D. and Ravi, V.} } @article { ISI:000257538200034, title = {Co-precipitation technique to prepare BiNbO4 powders}, journal = {Ceramics International}, volume = {34}, number = {6}, year = {2008}, month = {AUG}, pages = {1565-1567}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A simple co-precipitation technique was successfully used for the preparation of pure ultrafine single phase BiNbO4. A standard ammonium hydroxide solution was used to precipitate Bi3+ and Ta5+ cations as hydroxides simultaneously under basic conditions. For comparison, BN powders were also prepared by the traditional solid-state method. It is observed that the co-precipitation technique produces BiNbO4 on heating at 600 degrees C, whereas complete phase formation occurs only at 800 degrees C in the solid-state method. The phase contents and lattice parameters were Studied by powder X-ray diffraction (XRD). (C) 2007 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {BiNbO4, Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2007.03.022}, author = {Radha, R. and Gupta, U. N. and Samuel, V. and Muthurajan, H. and Kumar, H. H. and Ravi, V.} } @article { ISI:000252408000041, title = {Co-precipitation technique to prepare BiTaO4 powders}, journal = {Materials Letters}, volume = {62}, number = {3}, year = {2008}, month = {FEB}, pages = {501-503}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple co-precipitation technique has been successfully used for the preparation of pure ultrafine single phase BiTaO4. A standard ammonium hydroxide solution was used to precipitate Bi3+ and Ta5+ cations as hydroxides simultaneously under basic conditions. This precursor, on heating at 600 degrees C, produced product phase. This is the lowest temperature for the formation of BiTaO4 phase so far reported in the literature. For comparison BiTaO4 powders were also prepared by the traditional solid state method. The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD). (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {BiTaO4, Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.05.074}, author = {Muthurajan, H. and Gupta, U. N. and Rituraj, B. and Rao, N. Koteswara and Pradhan, Sivaram and Radha, R. and Ravi, V.} } @article { ISI:000253642200008, title = {Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halobenzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts}, journal = {CrystEngComm}, volume = {10}, number = {3}, year = {2008}, month = {FEB}, pages = {288-296}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{Racemic 2,6-di-O-(p-halobenzoyl)-myo-inositol 1,3,5-orthoformates (bromo (1) and chloro (2)) produced two polymorphs each, thin needle type crystals (Form I) were obtained from methanol, whereas larger rectangular crystals (Form II) were produced from ethyl acetate. Both forms could be produced concomitantly on crystallization (of 1 or 2) from ethyl acetate-light petroleum ether mixture; the yield of Form II crystal was always much more compared to Form I crystals. Although, a one-dimensional isostucturality linking molecules via O-H center dot center dot center dot O hydrogen bonding is seen in both forms, the difference arises in linking these chains. In larger Form II crystals (of 1 and 2), the adhesions are via halogen bonding (C-X center dot center dot center dot O=C

}, issn = {1466-8033}, doi = {10.1039/b712528c}, author = {Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000253646700006, title = {Cyanuryl peptide nucleic acid: synthesis and DNA complexation properties}, journal = {Tetrahedron Letters}, volume = {49}, number = {8}, year = {2008}, month = {FEB}, pages = {1314-1318}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of cyanuryl PNA monomer (CyaPNA) 6 was achieved by direct N-monoalkylation of cyanuric acid with N-(2-Boc-aminoethyl)-N{\textquoteright}-(bromoacetyl)glycyl ethyl ester 4. Compound 6 was incorporated as a T-mimic into PNA oligomers and biophysical studies on their triplexes/duplex complexes with complementary DNA oligomers indicated unusual stabilization of PNA:DNA hybrids when the cyanuryl unit was located in the middle of the PNA oligomer. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {cyanuryl PNA, PNA}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.12.095}, author = {Vysabhattar, Raman and Ganesh, Krishna N.} } @article { ISI:000252815300072, title = {Development of nanofibrous morphology in LDPE/LLDPE/PP blends and its effect on mechanical properties of blend films}, journal = {Journal of Applied Polymer Science}, volume = {107}, number = {6}, year = {2008}, month = {MAR}, pages = {4005-4012}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Nanofibrous morphology has been observed in ternary blends of low density polyethylene (LDPE), linear low density polyethylene (LLDPE), and isotactic polypropylene (PP) when these were melt-extruded via slit die followed by hot stretching. The morphology was dependent on the concentration of the component polymers in ternary blend LDPE/LLDPE/PP. The films were characterized by wide angle X-ray diffraction (XRD), scanning electron microscopy (SEM), and testing of mechanical properties. The XRD patterns reveal that the P phase of PP is obtained in the as-stretched nanofibrillar composites, whose concentration decreases with the increase of LLDPE concentration. The presence of PP nanofibrils shows significant nucleation ability for crystallization of LDPE/LLDPE blend. The SEM observations of etched samples show an isotropic blend of LDPE and LLDPE reinforced with more or less randomly distributed and well-defined nanofibrils of PP, which were generated in situ. The tensile modulus and strength of LDPE/LLDPE/PP blends were significantly enhanced in the machine direction than in the transverse direction with increasing LLDPE concentration. The ultimate elongation increased with increasing LLDPE concentration, and there was a critical LLDPE concentration above which it increased considerably. There was a dramatic increase in the falling dart impact strength for films obtained by blow extrusion of these blends. These impressive mechanical properties of extruded samples can be explained on the basis of the formation of PP nanofibrils with high aspect ratio (at least 10), which imparted reinforcement to the LDPE/LLDPE blend. (C) 2007 Wiley Periodicals, Inc.

}, keywords = {linear low density polyethylene, low density polyethylene, mechanical properties, melt-extruded films, nanofibrous morphology, polypropylene, ternary blends}, issn = {0021-8995}, doi = {10.1002/app.27630}, author = {Sonawane, Pradip S. and Radhakrishnan, S. and Bhangale, J. A. and Gadhavi, A. L. and Khare, Anagha} } @article { ISI:000261558700024, title = {Digestive duet: midgut digestive proteinases of manduca sexta ingesting nicotiana attenuata with manipulated trypsin proteinase inhibitor expression}, journal = {Plos One}, volume = {3}, number = {4}, year = {2008}, month = {APR}, pages = {e2008}, publisher = {PUBLIC LIBRARY SCIENCE}, type = {Article}, address = {185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA}, abstract = {

Background: The defensive effect of endogenous trypsin proteinase inhibitors (NaTPIs) on the herbivore Manduca sexta was demonstrated by genetically altering NaTPI production in M. sexta{\textquoteright}s host plant, Nicotiana attenuata. To understand how this defense works, we studied the effects of NaTPI on M. sexta gut proteinase activity levels in different larval instars of caterpillars feeding freely on untransformed and transformed plants. Methodology/Principal Findings: Second and third instars larvae that fed on NaTPI-producing (WT) genotypes were lighter and had less gut proteinase activity compared to those that fed on genotypes with either little or no NaTPI activity. Unexpectedly, NaTPI activity in vitro assays not only inhibited the trypsin sensitive fraction of gut proteinase activity but also halved the NaTPI-insensitive fraction in third-instar larvae. Unable to degrade NaTPI, larvae apparently lacked the means to adapt to NaTPI in their diet. However, caterpillars recovered at least part of their gut proteinase activity when they were transferred from NaTPI-producing host plants to NaTPI-free host plants. In addition extracts of basal leaves inhibited more gut proteinase activity than did extracts of middle stem leaves with the same protein content. Conclusions/Significance: Although larvae can minimize the effects of high NaTPI levels by feeding on leaves with high protein and low NaTPI activity, the host plant{\textquoteright}s endogenous NaTPIs remain an effective defense against M. sexta, inhibiting gut proteinase and affecting larval performance.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0002008}, author = {Zavala, Jorge A. and Giri, Ashok P. and Jongsma, Maarten A. and Baldwin, Ian T.} } @article { ISI:000259484700016, title = {Direct shoot organogenesis and plant regeneration from hypocotyl explants in selected genotypes of Leucaena leucocephala - a leguminous pulpwood tree}, journal = {Indian Journal of Biotechnology}, volume = {7}, number = {3}, year = {2008}, month = {JUL}, pages = {388-393}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, type = {Article}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

An efficient in vitro plant regeneration system in subabul (Leucaena leucocephala), a leguminous pulp wood tree species, was established. The induction of shoots was achieved from selected elite clones of subabul K-8, K-636 and also wild type on MS medium supplemented with 2\% sucrose and different concentrations (0.88 to 24.6 mu M) of plant growth regulators (BA, Kn, 2iP \& TDZ). The best medium for shoot regeneration was MS with 22.2 mu M BA (5 shoots per explant), followed by 22.7 mu M TDZ (4.6 shoots per explant). Addition of putriscine (9.3 mu M) to MS medium containing 22.2 mu M BA enhanced the number of multiple shoots to 7-8 but not the frequency of response. Shoot initials (measuring 1 cm) when separated and transferred on to MS medium containing 1.4 mu M GA(3) elongated to 2-5 cm in 15.20 d with 80\% frequency. The per cent frequency of shoot differentiation was almost identical in the genotypes K-8 and K-636 but it differed significantly from the wild type. Leaf yellowing and abscission in all the genotypes was curtailed by supplementing the medium with 685 mu M glutamine or 540 mu M adenine. The excised shoots were transferred to root regeneration media containing 2.46 and 4.98 mu M IBA or 2.6 and 5.3 mu M NAA. Root regeneration was noticed with 100\% frequency in all the three genotypes in presence of IBA or NAA. Plantlets were transferred successfully to the pots with 70\% survival rate with no visible morphological variations. The protocol can be utilized for mass propagation and genetic transformation studies of this important pulpwood species.

}, keywords = {hypocotyl explants, Leucaena lucocephala, pulpwood leguminous tree, shoot organogenesis}, issn = {0972-5849}, author = {Sirisha, V. L. and Prashant, S. and Ranadheer, D. and Ramprasad, P. and Shaik, N. M. and Arha, Manish and Gupta, S. K. and Srivastava, Sarneer and Yadav, A. K. and Kulkarni, P. S. and Othalathara U. Abhilash and Khan, Bashir Mohammad and Rawal, Shuban K. and Kishor, P. B. Kavi} } @article { ISI:000256441200268, title = {Di-tert-butyl N,N {\textquoteleft}-(octahydropentalene-2,5-diyl) dicarbamate}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {64}, number = {6}, year = {2008}, month = {JUN}, pages = {O1149-U2804}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

In the molecule of the title compound, C18H32N2O4, the central bicyclo[3.3.0] octane (octahydropentalene) has a rigid ring junction. Both rings of the bicyclo[3.3.0] octane unit adopt an envelope conformation, and the flexible tert-butylcarbamoyl side chains each have an extended conformation. Such a constrained bicyclo[3.3.0] octane aliphatic template is of interest with respect to the design of novel self-assembling motifs. Molecules related by c-glide symmetry are linked via intermolecular N-H center dot center dot center dot O hydrogen bonds, forming a two-dimensional layer structure. Neighboring layers are weakly associated along the a axis due to the close approach of the tert-butylcarbamoyl groups (2.55 angstrom).

}, issn = {1600-5368}, doi = {10.1107/S1600536808014876}, author = {Kendhale, Amol M. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article { ISI:000256081700004, title = {Double metal cyanides as efficient solid acid catalysts for synthesis of beta-amino alcohols under solvent-free conditions}, journal = {Catalysis Letters}, volume = {123}, number = {1-2}, year = {2008}, month = {JUN}, pages = {24-31}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A novel application of Fe-Zn double metal cyanide complexes as solid, acid catalysts for regioselective synthesis of beta-amino alcohols under solvent-free conditions via ring-opening of epoxides with amines is reported for the first time. The conversion of epoxides to beta-amino alcohols is nearly 100\%. In the reaction with styrene oxide, regioselective beta-amino alcohol formation is higher with aromatic than with aliphatic amines. Strong Lewis acidic Zn(2+) ions in the catalyst are probably the active sites in this reaction.

}, keywords = {beta-Amino alcohols, double metal cyanide (DMC), regioselective ring-opening of epoxides, Single crystal x-ray structure, solid Lewis-acid catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-008-9410-z}, author = {Saikia, Lakshi and Satyarthi, J. K. and Gonnade, Rajesh G. and Srinivas, Darbha and Ratnasamy, P.} } @article { ISI:000255305200006, title = {Effect of fuel and its concentration on the nature of Mn in Mn/CeO2 solid solutions prepared by solution combustion synthesis}, journal = {Acta Materialia}, volume = {56}, number = {7}, year = {2008}, month = {APR}, pages = {1461-1472}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Nano and microcrystalline, Mn/CeO2 solid solutions (5 mol.\% Mn) have been prepared by solution combustion synthesis using urea, glycine or polyethylene glycol (PEG) as fuel. The nature of the fuel and its concentration (fuel to metal mole ratio, F/M have a strong influence on the physical and chemical characteristics of the resulting Mn/CeO2 solid solutions. The variations in the physicochemical properties are attributed to differences in (i) the adiabatic/real flame temperature realized with these fuels at different F/M ratios; (ii) the sustenance of the temperature or the quenching effect of the fuel at higher F/M ratios; (iii) combustion or decomposition of the precursors as the main course of the reaction; and (iv) the generation of gaseous products during combustion. Since the addition of the fuel to the initial precursor solution does not change the pH of the medium, the differences in the type of Mn species formed are mainly attributed to the combustion process. (C) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Combustion synthesis, Mn-ceria, Nanocomposites, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS)}, issn = {1359-6454}, doi = {10.1016/j.actamat.2007.11.035}, author = {Murugan, B. and Ramaswamy, A. V. and Srinivas, D. and Gopinath, Chinnakonda S. and Ramaswamy, Veda} } @article { ISI:000255686900001, title = {Effect of gold dispersion on the photocatalytic activity of mesoporous titania for the vapor-phase oxidation of acetone}, journal = {International Journal of Photoenergy}, year = {2008}, month = {JAN}, pages = {Article No. 789149}, publisher = {HINDAWI PUBLISHING CORPORATION}, type = {Article}, address = {410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USA}, abstract = {

Mesostructured titanium dioxide photocatalyst, having uniform crystallite size (6-12 nm) and average pore diameter of similar to 4.2 nm, was synthesized by using a low-temperature nonsurfactant hydrothermal route, employing tartaric acid as a templating agent. Gold additions from 0.5 to 2wt\% were incorporated, either during the hydrothermal process or by postsynthesis wet impregnation. Compared to the impregnation-prepared samples, the samples synthesized hydrothermally contained smaller-size (\<= 1 nm) gold clusters occluded in the pores of the host matrix. Whereas CO(2) and H(2)O were the main reaction products in UV-assisted vapor-phase oxidation of acetone using these catalysts, C(2)H(6) and HCO(2)CH(3) were also produced for higher acetone concentrations in air. The conversion of acetone was found to increase with decrease in the size of both TiO(2) and gold particles. In situ IR spectroscopy revealed that titania and gold particles serve as independent adsorption and reaction sites for acetone and oxygen molecules. Acetone molecules adsorb exclusively at TiO(2) surface, giving rise to a strongly adsorbed (condensed) state as well as to the formation of formate- and methyl formate- type surface species. Hydroxyl groups at titania surface participate directly in these adsorption steps. Nanosize gold particles, on the other hand, were primarily responsible for the adsorption and activation of oxygen molecules. Mechanistic aspects of the photochemical processes are discussed on the basis of these observations. Copyright (C) 2008.

}, issn = {1110-662X}, doi = {10.1155/2008/789149}, author = {Awate, S. V. and Belhekar, Anagha A. and Bhagwat, S. V. and Kumar, R. and Gupta, N. M.} } @article { ISI:000260283800018, title = {Effect of hydrodynamic cavitation on zooplankton: a tool for disinfection}, journal = {Biochemical Engineering Journal}, volume = {42}, number = {3}, year = {2008}, month = {DEC}, pages = {320-328}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Application of hydrodynamic cavitation for disinfection of water is gaining momentum, as it provides environmentally and economically sound options. In this effort, the effect of cavitating conditions created by differential pump valve opening and that created by flowing through a cavitating element (orifice plates) on the microbes (zooplankton in sea water) is described. The experimental results are compared with modelling of cavitating conditions that includes cavity dynamics, turbulence generated by individual oscillating cavity, cell wall strength and geometrical and operating parameters of cavitation device. Theoretical model for quantifying the cavitationally generated turbulent shear and extent of microbial disinfection has been developed. Experimental results indicated that cavitation and/or turbulent fluid shear dominantly originating from cavitation are effective tools for sea water disinfection as more than 80\% of the zooplankton present in the sea water were killed. It was also observed that shock waves generated due to cavitation is not the sole cause for zooplankton disruption. A correct physical mechanism accounting fluid turbulence and shear, generated from stable oscillation of cavity, significantly contribute towards the disruption. Further refinement of the model presented will serve as a basis for higher degree of disinfection and provide a practical tool for sea water disinfection. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Cell disruption, heat transfer, Hydrodynamic cavitation, Modelling, Wastewater treatment, Zooplankton}, issn = {1369-703X}, doi = {10.1016/j.bej.2008.08.001}, author = {Sawant, Subhash Shivram and Anil, Arga Chandrashekar and Krishnamurthy, Venkat and Gaonkar, Chetan and Kolwalkar, Janhavi and Khandeparker, Lidita and Desai, Dattesh and Mahulkar, Amit Vinod and Ranade, Vivek Vinayak and Pandit, Aniruddha Balchandra} } @article { ISI:000260290500013, title = {Efficient synthesis of antifungal pyrimidines via palladium catalyzed Suzuki/Sonogashira cross-coupling reaction from Biginelli 3,4-dihydropyrimidin-2(1H)-ones}, journal = {Tetrahedron}, volume = {64}, number = {44}, year = {2008}, month = {OCT}, pages = {10214-10223}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient regioselective approach to the synthesis of tetrasubstituted pyrimidines was developed by sequential functionalization of easily available Biginelli 3,4-dihydropyrimidine-2(1H)-ones via dehydrogenation, chlorination followed by palladium catalyzed C-C Suzuki/Sonogashira coupling reaction. All the synthesized compounds were evaluated in vitro for their antifungal activities against Candida albicans, Cryptococcus neoformans, Benjaminiella poitrasii, Yarrowia lipolytica, and Fusarium oxysporum, and antibacterial activities against Gram-negative Escherichia coli and Gram-positive Staphylococcus aureus. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Antifungal activities, Biginelli compounds, chlorination, Oxidation, Pyrimidines, Suzuki coupling}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.08.033}, author = {Gholap, Atul R. and Toti, Kiran S. and Shirazi, Fazal and Deshpande, Mukund V. and Srinivasan, Kumar V.} } @article { ISI:000253919900008, title = {Efficient total synthesis of decarestrictine D}, journal = {European Journal of Organic Chemistry}, number = {7}, year = {2008}, month = {MAR}, pages = {1195-1202}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

An efficient total synthesis of decarestrictine D has been achieved using cross-metathesis or ring-closing metathesis and Yamaguchi macrolactonization as key steps. The stereogenic centres were generated by means of hydrolytic kinetic resolution (HKR) and Sharpless asymmetric dihydroxylation (AD).

}, keywords = {Cross metathesis, Hydrolytic kinetic resolution, Macrolides, Ring-closing metathesis, sharpless asymmetric dihydroxylation}, issn = {1434-193X}, doi = {10.1002/ejoc.200700868}, author = {Guptali, Priti and Kumar, Pradeep} } @article { ISI:000261410200003, title = {Environment friendly crosslinked chitosan as a matrix for selective adsorption and purification of lipase of aspergillus niger}, journal = {International Journal of Biological Macromolecules}, volume = {43}, number = {5}, year = {2008}, month = {DEC}, pages = {422-425}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Chitosan and its derivatives have been used as affinity matrices for purification of lipase from Aspergillus niger NCIM 1207. Trimellitic anhydride (TMA)-crosslinked deacetylated chitin adsorbed lipase selectively, yielding approximately 5-fold purification of the crude lipase with 70\% yield. Further 9-fold purification occurred on eluting through Sephacryl-100. These results suggest that chitosan derivatives can be used as inexpensive biopolymer matrices for the purification of lipases for industrial applications. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Adsorption, Chitosan, Lipase, Matrix, Purification}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2008.08.005}, author = {Trimukhe, K. D. and Mahadik, N. D. and Gokhale, D. V. and Varma, Anjanikumar} } @article { ISI:000255107700017, title = {EPR and DRS evidence for NO2 sensing in Al-doped ZnO}, journal = {Sensors and Actuators B-Chemical}, volume = {130}, number = {2}, year = {2008}, month = {MAR}, pages = {668-673}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Zinc oxide (ZnO) is a well-known semiconducting multifunctional material wherein properties right from the morphology to gas sensitivity can be tailor-made by doping or surface modification. Aluminum (Al)-incorporated porous zinc oxide (AI:ZnO) exhibits good response towards NO2 at low-operating temperature. The NO2 gas concentration as low as 20 ppm exhibits S = 17\% for 5 wt. \% Al-incorporated ZnO. The NO2 response increases with operating temperature and concentration and reaches to its maximum at 300 degrees C without any interference from other gases such as SO3, HCl, LPG and alcohol. Physico-chemical characterization likes differential thermogravimetric analysis (TG-DTA) electron paramagnetic resonance (EPR) and diffused reflectance spectroscopy (DRS) have been used to understand the sensing behavior for pure and A]-incorporated ZnO. The TG-DTA depicts formation of ZnO phase at 287 degrees C. The EPR study reveals distinct variation for O- (g=2.003) and Zn interstitial (g = 1.98) defect sites in pure and Al:ZnO. The DRS studies elucidate signature of adsorbed NO, species in aluminium-incorporated zinc oxide indicating its tendency to adsorb these species even at low temperatures. This paper is an attempt to correlate the gas sensing behavior with the physico-chemical studies such as EPR and DRS. (c) 2007 Published by Elsevier B.V.

}, keywords = {aluminum doping, DRS, EPR, NO2 sensor, ZnO}, issn = {0925-4005}, doi = {10.1016/j.snb.2007.10.055}, author = {Navale, Shalaka C. and Ravi, V. and Srinivas, D. and Mulla, Imtiaz S. and Gosavi, S. W. and Kulkarni, S. K.} } @article { ISI:000257280500014, title = {Expeditious one-step entry to the tetracyclic core of integrastatins}, journal = {Chemical Communications}, number = {27}, year = {2008}, month = {MAY}, pages = {3151-3153}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein we describe a one-step assembly of structurally complex small molecules representing the central skeleton of integrastatins by employing a simple pinacol transform.

}, issn = {1359-7345}, doi = {10.1039/b801755g}, author = {Ramana, C. V. and Reddy, Challa Nageswara and Gonnade, Rajesh G.} } @article { ISI:000254017900032, title = {Facile single-step technique for simultaneous in situ fabrication of Ag/Ag2S-polymer nanocomposites via PPS cyclization route}, journal = {Chemistry Letters}, volume = {37}, number = {2}, year = {2008}, month = {FEB}, pages = {194-195}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

We herein propose a facile single-step approach involving solid-state reaction between silver salt and engineering thermoplastic polyphenylene sulfide for simultaneous in situ generation of nanoscale metallic silver as well as semiconducting silver sulfide.

}, issn = {0366-7022}, doi = {10.1246/cl.2008.194}, author = {Waghmare, Sujata and Shinde, Manish and Gholap, Ramkrishna S. and Rao, N. Koteswara and Seth, Tanay and Amalnerkar, Dinesh P.} } @article { ISI:000253152700039, title = {Ferrocene-linked thymine/uracil conjugates: base pairing directed self-assembly and supramolecular packing}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {4}, year = {2008}, month = {FEB}, pages = {1508-1515}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Ferrocene-linked bis(nucleobase) (la-c) and chimeric nucleobase (1d) conjugates have been synthesized from mono- and bis(hydroxybutyl)ferrocene 6 via Mitsunobu reaction as the key step. X-ray crystallographic studies of ferrocene bis(nucleobase) conjugates reveal two-dimensional supramolecular organizations of backbones through self-assembled Watson-Crick and reverse Watson-Crick type pairs. Ferrocene-bis(thymine) conjugate self-assembles by reverse Watson-Crick pairing, while the corresponding bis(uracil) conjugate self-assembles by alternating WC and reverse WC type pairing. Such continuous assemblies are not seen in monosubstituted ferrocene nucleobase conjugates which form only planar sheets. The results are interesting from the point of understanding and engineering supramolecular assemblies through rational design of base pairing patterns.

}, issn = {0022-3263}, doi = {10.1021/jo7023416}, author = {Patwa, Amit N. and Gupta, Susmita and Gonnade, Rajesh G. and Kumar, Vaijayanti A. and Bhadbhade, Mohan M. and Ganesh, Krishna N.} } @article { ISI:000262312300018, title = {First asymmetric total synthesis of penarolide sulfate A(1)}, journal = {European Journal of Organic Chemistry}, number = {36}, year = {2008}, month = {DEC}, pages = {6213-6224}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Penarolide sulfate A(1), with three contiguous stereogenic centers on a macrocyclic skeleton, affords promise as an alpha-glucosidase inhibitor. Herein, we describe the first asymmetric total synthesis of this natural product. A stereoselective strategy for rapid assembly of the complete framework of the 30-membered macrocyclic core is delineated herein. Sequential amidation and intramolecular Sonogashira cross-coupling reactions were pivotal to the success of our efforts. ((C) Wiley-VCH Verlag GmbH \& Co. KGaA, 69451 Weinheim, Germany, 2008)

}, keywords = {Asymmetric synthesis, C-C coupling, Dihydroxylation, epoxidation, Macrocycles, Regioselectivity, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.200800680}, author = {Mohapatra, Debendra K. and Bhattasali, Debabrata and Gujar, Mukund K. and Khan, Mohammad Islam and Shashidhara, K. S.} } @article { ISI:000256212400012, title = {Foldamers with unusual structural architecture from spirobi(indane) building blocks}, journal = {Chemical Communications}, number = {22}, year = {2008}, month = {JUN}, pages = {2541-2543}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication demonstrates the utility of inherently rigid building blocks such as 1,1{\textquoteright}-spirobi(indane) for generating conformationally ordered synthetic oligomers with structural architectures distinct from those classically observed.

}, issn = {1359-7345}, doi = {10.1039/b800825f}, author = {Kendhale, Amol M. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @conference { ISI:000257623000188, title = {Gelation of regenerated fibroin solution}, booktitle = {15th International Congress on Rheology/80th Annual Meeting of the Society-of-Rheology}, series = {AIP CONFERENCE PROCEEDINGS}, volume = {1027}, year = {2008}, note = {15th International Congress on Rheology/80th Annual Meeting of the Society-of-Rheology, Monterey, CA, AUG 03-08, 2008}, month = {AUG}, pages = {573-575}, publisher = {Amer Inst Physics, 2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, organization = {Amer Inst Physics, 2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, address = {Monterey, CA.}, abstract = {

Silk fibroin is a high molecular weight multiblock ampiphillic protein known for its ability to form high strength fibers. It is also biocompatible; silk sutures have been traditionally used for many centuries. Recently, there has been much interest in making silk hydrogels for applications ranging from tissue engineering to controlled delivery. Fibroin gels can be formed from aqueous solutions by changing one or more state variables such as pH, temperature and ionic strength. In this work we present our investigations on the gelation of aqueous fibroin solutions derived from Bombyx Mori silk using light scattering, confocal microscopy and rheological techniques.

}, keywords = {dynamic light scattering, Rheology, silk fibroin gel}, isbn = {978-0-7354-0549-3}, issn = {0094-243X}, author = {Nagarkara, Shailesh and Lele, Ashish K. and Chassenieux, Christophe and Nicolai, Taco and Durand, Dominique}, editor = {Co, A. and Leal, L. G. and Colby, R. H. and Giacomin, A. J.} } @article { ISI:000259337100008, title = {Heteronuclear dipolar decoupling effects on multiple-quantum and satellite-transition magic-angle spinning NMR spectra}, journal = {Magnetic Resonance in Chemistry}, volume = {46}, number = {10}, year = {2008}, month = {OCT}, pages = {948-954}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

We here report on the influence of heteronuclear dipolar decoupling on the Al-27 3QMAS, 5QMAS, and the double-quantum filter-satellite-transition magic-angle spinning (DQF-STMAS) spectra of a strongly dipolar-coupled system, gibbsite. The requirements for heteronuclear dipolar decoupling increase with the order of coherence evolving in the indirect dimension of a two-dimensional (2D) experiment. The isotropic line width of the high-resolution 2D spectra, in samples like gibbsite, is composed of four parts: the distribution of isotropic shifts (delta(ISO), delta(QIS)), the homogeneous broadening related to the proton-proton flip-flop terms, the Al-27-Al-27 homonulcear dipolar couplings, and the H-1-Al-27 heteronuclear dipolar couplings. It is shown that, even in the case of gibbsite, where a strong proton-proton bath exists, the main resolution limiting factor in these experiments resides in the H-1-Al-27 dipolar interaction. Copyright (C) 2008 John Wiley \& Sons, Ltd.

}, keywords = {heteronuclear broadening, heteronuclear decoupling, homogeneous broadening, MQMAS, quadrupolar nuclei, Solid-state NMR, STMAS, TPPM}, issn = {0749-1581}, doi = {10.1002/mrc.2286}, author = {Ganapathy, Subramanian and Delevoye, L. and Arnoureux, J. P. and Madhu, Perunthiruthy K.} } @article { ISI:000253042300017, title = {Highly efficient sulfimidation of 1,3-dithianes by Cu(I) complexes}, journal = {Synthetic Communications}, volume = {38}, number = {4}, year = {2008}, month = {FEB}, pages = {619-625}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A series of four Cu(I) complexes were tested for sulfimidation of 1,3-dithianes in the presence of [N-(p-tolysulfonyl)imino]phenyliodinane (PhI = NTs) as the nitrene-transfer agent. Cu(TMPhen)(PPh3)Br is an efficient catalyst with more than 90\% yield of the corresponding product with less reaction time as compared to the literature copper(I) complexes.

}, keywords = {1, 3-dithianes, Cu(I) complexes, PhI = NTs, sulfimidation}, issn = {0039-7911}, doi = {10.1080/00397910701798200}, author = {Giribabu, Lingamallu and Singh, Surya P. and Patil, Nandkumar M. and Kantam, M. Lakshmi and Gupte, Sunil P. and Chaudhari, Raghunath V.} } @article { ISI:000258433400008, title = {Highly selective approach for the total synthesis of (+)-heliconol A}, journal = {Tetrahedron-Asymmetry}, volume = {19}, number = {13}, year = {2008}, month = {JUL}, pages = {1568-1571}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The total synthesis of heliconol A, a representative of a new class of polyketide-derived hemiketals containing a reduced furanocyclopentane unit, has been achieved via the stereoselective reduction of a ketone, the face selective dihydroxylation, a Sonogashira coupling reaction, and a cis-selective reduction as the key steps. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2008.05.031}, author = {Mohapatra, Debendra K. and Chatterjee, Bhaskar and Gurjar, Mukund K.} } @article { ISI:000254979800023, title = {Highly selective synthesis of mono-ethylene glycol phenyl ethers via hydroxyalkoxylation of phenols by cyclic carbonates using large pore zeolites}, journal = {Catalysis Communications}, volume = {9}, number = {7}, year = {2008}, month = {APR}, pages = {1649-1655}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Hydroxyalkoxylation of phenols by cyclic carbonates catalyzed by alkali loaded large pore zeolites has been reported. The study shows that KL type zeolite was recyclable and selective in producing mono-ethylene glycol pheryl ethers in similar to 98.5\% yield. Various substituted simple phenols were converted into mono-ethylene glycol ether of phenols with over 90\% yields, except 3-bromo and 2-methyl phenols. Mono hydroxyl plienols such as hydroquinone, biphenol and BPA (2,2-bis(4-hydroxyphenyl)propane) also produce corresponding mono- and di-ethylene glycol ethers. The ratio of ethylene carbonate to phenol was found to be critical for selective formation of monoethylene glycol phenyl ether of phenols. A ratio of two results in formation of appreciable amount of diether derivative viz., 2-(2-phenoxyethoxy) ethanol. Compared to ethylene carbonate, a lower reactivity of 1,2-propane carbonate was found for hydroxyalkoxylation of phenol. It was found that ring opening at less hindered methylene carbon of 1,2-propylene carbonate prevailed giving rise to selective formation of beta-hydroxy phenyl ethers. The reactivity of ethylene carbonate towards O-alkylation versus transesterification of phenol has been explained on the basis of HSAB concept. Finally, it has been shown that yield of mono-ethylene glycol phenyl ether is controlled both by basicity and channel architecture of zeolite structure. KL zeolite was found to be the most effective zeolite because of it{\textquoteright}s intermediate basicity and one dimensional channel architect. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {cyclic carbonate, ethylene glycol phenyl ether, hydroxyalkoxylation, phenol}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.01.019}, author = {Kinage, Anil K. and Gupte, Sunil P. and Chaturvedi, Rajiv K. and Chaudhari, Raghunath V.} } @article { ISI:000256281800005, title = {Imaging the interaction between dengue 2 virus and human blood platelets using atomic force and electron microscopy}, journal = {Journal of Electron Microscopy}, volume = {57}, number = {3}, year = {2008}, month = {JUN}, pages = {113-118}, publisher = {OXFORD UNIV PRESS}, type = {Article}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {

Thrombocytopenia is frequently associated with dengue virus infection. Host factors such as anti-platelet immunopathogenic processes have been implicated in the origin of dengue-associated thrombocytopenia but the role of dengue virus in directly interacting with platelets and altering their hemostatic property remains incompletely understood. In the present study, we examined the effect of dengue 2 virus on the morphology and physiological activation profile of normal human platelets using atomic force microscopy, electron microscopy and flowcytometry. Platelets obtained from healthy donors were exposed to a cell culture-adapted 10(4) LD(50) dengue 2 virus isolate in vitro and the subsequent effect on morphology and activation biology studied. Our results show that dengue 2 virus exposure at doses comparable to natural viremic states in human infections can activate platelets with an increase in P-selectin expression and fibrinogen-binding property. Atomic force, scanning and transmission electron microscopy also showed typical activation-related morphological changes such as altered platelet membrane architecture, degranulation, presence of filopodia and dilatation of the open canalicular system in the dengue 2 virus-exposed platelets but not in the controls. Importantly, Japanese encephalitis virus exposure at the same dose did not activate platelets or show any morphological changes. Our findings suggest that dengue 2 virus may directly interact with and activate platelets - an event that might be important in the origin of dengue-associated thrombocytopenia. Detailed molecular characterization of this effect might provide key knowledge toward better prophylaxis of the hemostatic complications of dengue disease.

}, keywords = {AFM, dengue virus, Electron microscopy, platelet}, issn = {0022-0744}, doi = {10.1093/jmicro/dfn007}, author = {Ghosh, Kanjaksha and Gangodkar, Shobha and Jain, Preksha and Shetty, Shrimati and Ramjee, Sandhya and Poddar, Pankaj and Basu, Atanu} } @article { ISI:000252529400025, title = {Incorporation of zirconium in medium-pore aluminophosphate molecular sieves with AEL framework}, journal = {Microporous and Mesoporous Materials}, volume = {108}, number = {1-3}, year = {2008}, month = {FEB}, pages = {223-229}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Zirconium incorporated alurninophosphate molecular sieves ZrAPO-11 was synthesized by hydrothermal method. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy, thermogravimetric/differential thermal analysis (TGA/DTA), diffuse reflectance UV-visible spectroscopy, magic-angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy (P-31 and Al-27). The acidity of the materials were determined by temperature programmed desorption (TPD) of ammonia. X-ray diffraction and scanning electron microscopy reveals formation of crystalline material in pure phase. Thermal analysis shows higher template content in zirconium containing samples than the corresponding AlPOs. MAS NMR suggests incorporation of zirconium in the framework. TPD reveals that the ZrAPO-11 samples were of higher acidity than AIPO(4)-11 (c) 2007 Elsevier Inc. All rights reserved.

}, keywords = {AlPO4-11, Aluminophosphate, catalysis, Molecular sieve, ZrAPO-11}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.03.044}, author = {Ganguli, J. N. and Chakrabortty, Dhruba and Satyanarayana, C. V. V.} } @article { ISI:000254901800024, title = {Influence of electronic factors on palladium-mediated cycloisomerization: a systematic investigation of competitive 5-exo-dig versus 6-endo-dig cyclizations of sugar alkynols}, journal = {Tetrahedron}, volume = {64}, number = {1}, year = {2008}, month = {JAN}, pages = {219-233}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Pd-mediated cycloisomerization of 3-C-alkynyl-allo- and ribofuranose derivatives was investigated in detail to understand the influence of electronic factors on the regioselectivity in ring closure reaction. The reactions in general are influenced by the electronic nature of the substituent on the alkyne unit. A preference for endo-dig cyclization over exo-dig is noted, if the alkynyl substituent is not sufficiently electron withdrawing, (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {C-alkynyl furanose, cycloisomerization, enol ether, Palladium, Spiroketal}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.10.072}, author = {Ramana, C. V. and Mallik, Rosy and Gonnade, Rajesh G.} } @article { ISI:000260640600003, title = {Intrinsic viscosity of aqueous solutions of carboxymethyl guar in the presence and in the absence of salt}, journal = {Macromolecular Chemistry and Physics}, volume = {209}, number = {20}, year = {2008}, month = {OCT}, pages = {2087-2093}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Intrinsic viscosities were determined for solutions of CMG in pure water and 0.9 wt.-\% aqueous NaCl. To avoid the 0/0-type extrapolation typical for Huggins plots, a new procedure was used. For CMG and pure water, this requires only two adjustable parameters: the specific hydrodynamic volume of the polymer in the limit of infinite dilution and a hydrodynamic interaction parameter. The intrinsic viscosity of CMG (no salt) at room temperature is 6 050 mL . g(-1); approximately half as large as that of Na-PSS of comparable molar mass. The ratio of the intrinsic viscosities with and without salt is approximate to 7 for CMG, as compared to \>100 for Na-PSS. The reasons 1:5 5 for the different behaviors of the two types of polyelectrolytes are being discussed.

}, keywords = {Biopolymers, Carboxymethyl guar, intrinsic viscosity, polyelectrolyte, salt-free solutions}, issn = {1022-1352}, doi = {10.1002/macp.200800238}, author = {Badiger, Manohar V. and Gupta, Nivika R. and Eckelt, John and Wolf, Bernhard A.} } @article {43246, title = {Introduction to the density matrix renormalization group ansatz in quantum chemistry}, journal = {Frontiers in Quantum Systems in Chemistry and Physics}, volume = {18}, year = {2008}, month = {JAN}, pages = {49-65}, type = {Proceedings Paper}, abstract = {The Density Matrix Renormalisation Group (DMRG) is an electronic structure method that has recently been applied to ab-initio quantum chemistry. Even at this early stage, it has enabled the solution of many problems that would previously have been intractable with any other method, in particular, multireference problems with very large active spaces. Historically, the DMRG was not originally formulated from a wavefunction perspective, but rather in a Renormalisation Group (RG) language. However, it is now realised that a wavefunction view of the DMRG provides a more convenient, and in some cases more powerful, paradigm. Here we provide an expository introduction to the DMRG ansatz in the context of quantum chemistry.}, author = {Chan, Garnet Kin-Lic and Dorando, Jonathan J. and Ghosh, Debashree and Hachmann, Johannes and Neuscamman, Eric and Wang, Haitao and Yanai, Takeshi} } @article { ISI:000255905400010, title = {Kinetics of PbCrO(4) nanorod growth by oriented attachment at the air-water interface}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {20}, year = {2008}, month = {MAY}, pages = {7557-7561}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Oriented attachment is a new way of crystal growth to transform preformed nanoparticles into hierarchical assemblies. Here, we demonstrate the use of liquid-liquid interfaces toward the formation of PbCrO(4) nanoparticles and their subsequent time-dependent self-assembly at the air-water interface into nanorods by oriented attachment. EDAX and XPS analysis indicate the formation of stoichiometric PbCrO(4). TEM studies at different stages of aging reveal that the transformation from nanoparticles to nanorods is kinetically governed. HRTEM analysis indicates nanorod growth along the [110] plane. UV-visible spectra reveal the presence of peaks at 425 and 515 nm for nanorods, while for the nanoparticle sample, a single peak at 425 urn is evident. As formation of ultrathin films over a large area (typically equal to or greater than 1 mu m x 1 mu m) concomitantly accompanies this approach, it can be extended to other materials as well for nanostructured device applications.

}, issn = {1932-7447}, doi = {10.1021/jp801577y}, author = {Hawaldar, Ranjit R. and Sathaye, Shivaram D. and Harle, Arti S. and Gholap, Ramkrishna S. and Patil, Kashinath R.} } @article { ISI:000254820000016, title = {La0.67Ce0.03Sr0.3MnO3-coupled microwave assisted ultra-fast synthesis of nanocrystalline cobalt oxide and Bismuth oxide}, journal = {Materials Letters}, volume = {62}, number = {10-11}, year = {2008}, month = {APR}, pages = {1511-1513}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Bismuth hydroxide and Cobalt hydroxide gels were freshly prepared by adding aqueous sodium hydroxide to their corresponding nitrates under basic conditions. Then they were oven dried at 373 K and found to be amorphous in X-ray diffraction (XRD) study. They crystallized into their respective oxides by microwave irradiation (2.45 GHz) in merely 2 min using La0.67Ce0.03Sr0.3MnO3 (LCSMO) as couplant in a microwave domestic oven (similar to 100 W). This is the lowest temperature treatment and synthesis time so far reported in the literature for the formation of these systems. Formation of nanocrystallites of Bi2O3 (10 nm) and Co3O4 (15 nm) has been confirmed by XRD. Normally these hydroxides produce oxides only on heating at temperature \>673 K or digesting them at 373 K for 4 - 6 hours as reported by us earlier. Microwave assisted heating proves to be a novel technology whose applications can be carefully harnessed due to its unique effects compared to the conventional heating, such as rapid volumetric heating, shortened reaction time and energy saving. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Citrate gel method, Manganites, Microwave, Oxides}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.09.013}, author = {Rajagopal, Rajashree and Mona, J. and Joshi, Rakesh S. and Kale, Sangeeta N. and Pradhan, Sivararn and Gaikwad, A. B. and Ravi, V.} } @article { ISI:000255130000001, title = {Lipase enzyme immobilization on synthetic beaded macroporous copolymers for kinetic resolution of chiral drugs intermediates}, journal = {Process Biochemistry}, volume = {43}, number = {4}, year = {2008}, month = {APR}, pages = {321-330}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Lipase isolated from Arthrobacter sp. (bacterial strain, MTCC No. 5125) at RRL Jammu, being used for various process development. Arthrobacter sp. lipase (ABL) now has been immobilized on synthetic polymers and reused many a times. In this investigation number of various synthetic macroporous alkylated glycidyl epoxy copolymers with varying hydrophobicity, pore volume and surface area were prepared and used for this study. Among all the polymers prepared and used only two epoxy polymers GMA-EGDM 75-20(I) and GMA-EGDM 75-30(I) with particle size in the range of 150-450 nm, epoxy groups 80 and 70\%, tertiary amino groups 20 and 30\% was found suitable for immobilization of lipase (ABL). Dibutyl amine (DBA) incorporation created an internal pore radii 20-50 nm and hydrophobic microenvironment in both the polymers for binding the enzyme, which led to improvement in stability and enatioselectivity in racemic resolution process especially by binding to one of the isomers. The optimal ABL binding capacity of polymer GMA-EGDM 75-20(I) was 60 units, 34 mg protein and GMA-EGDM 75-30(l) was 36 units, 21 mg protein/g polymer. The immobilized lipase matrices displayed enhanced pH, thermal, organic solvent and long-term storage stability. Both the immobilized enzyme matrices were tested firstly for the hydrolysis of triglycerides using tributyrin as substrate. After testing, both the matrices were reused for racemic resolution of ethyl-3-hydroxy-3-phenyl propanoate (fluoxetine intermediate, an antidepressant drug) and racemic chiral auxiliary, acetyl-1-phenyl ethanol (intermediate of many chiral drugs) for 15 cycles. These immobilized lipase matrices have shown very high stability on recycling, high-enantioselectivity, high conversion and faster recovery of product compare to free enzyme, therefore these matrices may find use in kinetic resolution process developments. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {1-phenyl ethanol and enantioselectivity, chiral resolution, enantiomeric excess (ee), ethyl-3-hydroxy-3-phenyl propanoate, Immobilization, Lipase}, issn = {1359-5113}, doi = {10.1016/j.procbio.2007.11.019}, author = {Bhushan, Indu and Parshad, Rajinder and Qazi, Gulam Nabi and Ingavle, Ganesh C. and Rajan, C. R. and Ponrathnam, Surendera and Gupta, Vijay Kumar} } @article { ISI:000257367100016, title = {Low temperature synthesis and characterization of BiNbO4 powders}, journal = {Materials Characterization}, volume = {59}, number = {8}, year = {2008}, month = {AUG}, pages = {1083-1087}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

BiNbO4 powders, a potential microwave dielectric ceramic were prepared by both coprecipitation and solid state techniques. In the former method, an aqueous ammonium hydroxide was used to precipitate Bi3+ and Ta5+ cations as hydroxides simultaneously under basic conditions. It is observed that the co-precipitation produces BiNbO4 phase on heating at 600 degrees C, whereas complete phase formation occurs only at 800 degrees C in the case of solid state method. The phase contents and lattice parameters were studied by powder X-ray diffraction. The sequence of the reaction and phase evolution of BiNbO4 were also studied by the X-ray diffraction. The samples were characterized by the differential-thermal/thermo-gravimetric analyses and scanning electron microscopy techniques. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {BiNbO4, Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {1044-5803}, doi = {10.1016/j.matchar.2007.08.026}, author = {Radha, R. and Muthurajan, H. and Rao, N. Koteswara and Pradhan, Sivaram and Gupta, U. N. and Jha, Ratnesh Kumar and Mirji, S. A. and Ravi, V.} } @article { ISI:000256920000046, title = {MCM-41-supported organometallic-derived nanopalladium as a selective hydrogenation catalyst}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {25}, year = {2008}, month = {JUN}, pages = {9428-9433}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Palladium nanocatalysts have been prepared by anchoring (eta(3)-C(3)H(5))(2)Pd(2)Cl(2) onto dian-tine-functionalized MCM-41 supports followed by reaction with hydrogen under catalytic conditions. The catalyst precursor and used catalyst have been studied by solid-state NMR ((13)C, (29)Si), XPS, and TEM. The organometallic-derived catalyst exhibits the best performance (activity and selectivity) to date toward the selective hydrogenation of industrially relevant o- and m-chloronitrobenzene to the corresponding chloroaniline derivatives and is distinctly superior to 5\% Pd/C. Grazing angle XPS studies reveal that conversion of the tethered molecular species to the nanoparticles of palladium produces a core-shell nanostructure.

}, issn = {1932-7447}, doi = {10.1021/jp8007656}, author = {Maity, Niladri and Rajamohanan, Pattuparambil R. and Ganapathy, Subramanian and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000257904900015, title = {MCM-41-supported ruthenium carbonyl cluster-derived catalysts for asymmetric hydrogenation reactions}, journal = {Applied Catalysis A-General}, volume = {344}, number = {1-2}, year = {2008}, month = {JUL}, pages = {124-130}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{The anionic ruthenium carbonyl cluster [Ru-4(mu-H)(3)(CO)(12)](-) has been ion-paired with (3-chloropropyl)-trimethoxysilyl-cinchonidium or sparteinium groups chemically bound to the surfaces of MCM-41 [(MCM-41-)(-O)(3)SiCH2CH2CH2NR3+Cl-

}, keywords = {asymmetric catalysis, functionalized MCM-41, hydrogenation catalysts, nanocatalyst, ruthenium carbonyl cluster}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.04.009}, author = {Indra, Arindam and Basu, Susmit and Kulkarni, Dhanashree G. and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000261711400041, title = {Molecular association via halogen bonding and other weak interactions in the crystal structures of 11-bromo-12-oxo-5 beta-cholan derivatives}, journal = {Journal of Molecular Structure}, volume = {892}, number = {1-3}, year = {2008}, month = {DEC}, pages = {246-253}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Methyl 3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 2, methyl 11 alpha-bromo-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 3, methyl 11 beta-bromo-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 4 and methyl 11,11-dibromo-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 5 were synthesized. The crystal structures of these molecules were resolved to study the effect of bulky bromine atom in the steroid skeleton of cholic acid with different stereo-chemical orientations at C-11 on the two-dimensional arrangement of molecules and solid-state properties. All the molecules associate only via weak intermolecular interactions in their crystal structures, notable one being the Halogen Bonded assembly (C-Br center dot center dot center dot O) in 5. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {11-Bromosteroids, Cholic acid, crystal structure, Halogen bonding}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2008.05.051}, author = {Salunke, Deepak B. and Hazra, Braja G. and Gonnade, Rajesh G. and Pore, Vandana S. and Bhadbhade, Mohan M.} } @article { ISI:000256601200022, title = {Molecular genetic mapping of quantitative trait loci associated with loaf volume in hexaploid wheat (Triticum aestivum)}, journal = {Journal of Cereal Science}, volume = {47}, number = {3}, year = {2008}, month = {MAY}, pages = {587-598}, publisher = {ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD}, type = {Article}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

Major efforts in wheat research are being made to improve the yield and quality of wheat. Loaf volume (Lv) is the main quality parameter deciding the bread making potential of wheat. To genetically dissect quantitative trait loci (QTLs) for Lv, a Recombinant Inbred Line (RIL) population (F-8) was developed from a cross between two Indian wheat varieties {\textquoteleft}{\textquoteleft}H 1977{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}HD 2329{\textquoteright}{\textquoteright}. A total of 914 SSR and 100 ISSR primers were used for molecular analysis and the genetic map comprising 19 chromosomes was constructed with 202 SSR markers and 2 HMW glutenin subunit loci: Glu-B1 and Glu-B1. The phenotypic data were collected from six environments including three different agro-climatic zones for 2 consecutive years. Dissection of Lv through AMMI model revealed significant G x E variance for the trait. QTL analysis was performed using composite interval mapping. A total of 30 QTLs for Lv were detected and significant QTLs were identified on 6B and 6D chromosomes; 1B, 1D, 2A, 3A, 513 and 5D also contributed genetically to Lv. Association between 6B and 6D QTLs and variable expression of gliadins on group 6 chromosomes were discussed. QTLs detected in this study were compared with other QTL analysis in wheat. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {breadmaking, loaf volume, QTL, SSR, wheat quality}, issn = {0733-5210}, doi = {10.1016/j.jcs.2007.07.003}, author = {Elangovan, M. and Rai, R. and Dholakia, Bhushan B. and Lagu, Meena D. and Tiwari, R. and Gupta, R. K. and Rao, V. S. and Roeder, M. S. and Gupta, V. S.} } @article { ISI:000262377000014, title = {Near-complete phase transfer of single-wall carbon nanotubes by covalent functionalization}, journal = {Journal of Chemical Sciences}, volume = {120}, number = {6}, year = {2008}, note = {International Conference on Molecules and Materials - New Directions, Bangalore, INDIA, DEC 04, 2008}, month = {NOV}, pages = {599-606}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

We describe here an efficient phase transfer of single wall carbon nanotubes (SWNTs) from aqueous to non-aqueous media using a unique amide functionalization route, where water soluble SWNTs (2.6 mg/mL) are effectively transferred to solvents like chloroform, toluene and CS(2). A maximum of 30 wt\% of oxygenated groups have been generated on the side walls by rapid microwave treatment, leading to a solubility of more than 2.6 mg/mL in water. Approximate surface amine coverage of 50\% has been accomplished after oxalyl chloride treatment as inferred from thermogravimetry and X-ray photoelectron spectroscopy by controlling several key parameters associated with the extent of functionalization including purity of the sample, temperature and time.

}, keywords = {Carbon nanotubes, microscopy, Microwave, Nanostructures, solubility of SWNTs}, issn = {0253-4134}, doi = {10.1007/s12039-008-0091-3}, author = {Kakade, Bhalchandra A. and Patil, Sanjay and Sathe, Bhaskar and Gokhale, Suresh and Pillai, Vijayamohanan} } @article { ISI:000257365900027, title = {Novel hydroxide precursors for low temperature synthesis of selected ternary oxides}, journal = {Materials Research Bulletin}, volume = {43}, number = {7}, year = {2008}, month = {JUL}, pages = {1842-1849}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2007.07.006}, author = {Muthurajan, H. and Rao, N. Koteswara and Gupta, U. N. and Pradhan, Sivaram and Jha, Ratnesh Kumar and Kumar, H. H. and Mirji, S. A. and Ravi, V.} } @article { ISI:000254698300034, title = {Novel hydroxide precursors to prepare NaNbO3 and KNbO3}, journal = {Ceramics International}, volume = {34}, number = {3}, year = {2008}, month = {APR}, pages = {671-673}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Firstly, fresh niobium, hydroxide was precipitated from NbF5 solution using an aqueous ammonium hydroxide under basic conditions. Then a simple procedure of mixing potassium (or sodium) and niobium hydroxides together and heating at a low temperature (\<400 degrees C) produced KNbO3 (KN) or NaNbO3 (NN) powders. This is the lowest temperature so far reported for the formation of these phases. The phase content and lattice parameters are determined by X-ray diffraction (XRD). The average particle size and morphology were studied by scanning electron microscopy (SEM). (c) 2007 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {chemical preparation, niobates, Perovskites, powders, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2006.12.014}, author = {Muthurajan, H. and Kumar, H. H. and Samuel, V. and Gupta, U. N. and Ravi, V.} } @article { ISI:000258775400012, title = {Novel process for the synthesis of class I antiarrhythmic agent (+/-)-cibenzoline and its analogs}, journal = {Synthetic Communications}, volume = {38}, number = {17}, year = {2008}, month = {AUG}, pages = {2967-2982}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Synthesis of (+/-)-cibenzoline and its analogs has been achieved by a simple sequence of reactions. The diaryl cyanoolefin intermediate 3 could be prepared by Knoevenagel condensation of benzophenone with ethylcyanoacetate to form the tetra-substituted olefin intermediate 2 followed by Krapcho deethoxycarbonylation or from beta-hydroxynitrile intermediate 2{\textquoteright} followed by the elimination of hydroxyl group respectively. The 2,2-diphenylcyclopropanecarbonitrile 4 was synthesized from intermediate 3 by cyclopropanation, which was converted to (+/-)-2-(2,2-diphenylcyclopropyl)-2-imidazoline 5 by reaction with ethylenediamine in the presence of a catalytic amount of sulfur. Moreover, the obtained 2-imidazolines were smoothly oxidized to the corresponding imidazoles 6 in good to moderate yields.

}, keywords = {Benzophenone, cibenzoline, cyclopropanation, diaryl cyanoolefin}, issn = {0039-7911}, doi = {10.1080/00397910802006388}, author = {Gholap, Atul R. and Paul, Vincent and Srinivasan, Kumar V.} } @article { ISI:000253478500012, title = {Novel synthesis of SrBi2Nb2O9 powders from hydroxide precursors}, journal = {International Journal of Applied Ceramic Technology}, volume = {5}, number = {1}, year = {2008}, month = {JAN}, pages = {101-104}, publisher = {BLACKWELL PUBLISHING}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

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

}, issn = {1546-542X}, doi = {10.1111/j.1744-7402.2008.02182.x}, author = {Gupta, Upendra Nath and Rao, Koteswara and Pradhan, Sivaram and Jha, Ratnesh Kumar and Muthurajan, Harries and Ravi, Venkat} } @article {43245, title = {Orbital optimization in the density matrix renormalization group, with applications to polyenes and ss-carotene}, journal = {Journal of Chemical Physics}, volume = {128}, year = {2008}, month = {APR}, doi = {10.1063/1.2883976}, author = {Ghosh, Debashree and Hachmann, Johannes and Yanai, Takeshi and Chan, Garnet Kin-Lic} } @article { ISI:000260809600008, title = {pH Induced structural alterations in an aspartic protease from Vigna radiata indicating an alkali induced molten globule state}, journal = {International Journal of Biological Macromolecules}, volume = {43}, number = {4}, year = {2008}, month = {NOV}, pages = {373-376}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

pH-dependent transitions in secondary and tertiary structure are described for a plant aspartic protease from Vigna radiata. The enzyme was pH stable with pH optima of 3.0. The Lineweaver Burk analysis at various pH yielded pK(a) values of 3.3 and 4.29 indicating acidic amino acids at the active site of the enzyme. The structural changes exemplified compact secondary structure collapsed tertiary structure and exposure of hydrophobic patches at pH 10. The changes at pH 10 are typical of a molten globule state. This alkali induced molten globule is novel since acid induced molten globule state is more reported. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Alkali induced molten globule, Plant aspartic protease, Structural transitions}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2008.07.017}, author = {Kulkarni, Aarohi and Gaikwad, Sushama M. and Rao, Mala} } @article { ISI:000255292000009, title = {Photocatalytic activity and characterization of sol-gel-derived Cr(III)-doped TiO(2)-coated active carbon composites}, journal = {Philosophical Magazine}, volume = {88}, number = {5}, year = {2008}, month = {APR}, pages = {767-779}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Cr(III)-doped, TiO(2)-coated active carbon (Cr-TiO(2)/AC) were prepared by a sol-gel method. The effect of supports, including TiO(2) and active carbon (AC), on the molecular structure and photocatalytic activity of chromium oxide for complete decomposition of EDTA has been examined with respect to the content of Cr on the catalyst surface. The photocatalytic activity of the Cr-TiO(2)/AC composites was evaluated in the decomposition of EDTA solution under UV irradiation. The results indicate that Cr-TiO(2)/AC has a higher efficiency in decomposition of EDTA than TiO(2), TiO(2)/AC or active carbon. This was attributed to the different functions of active carbon and chromate species. (1) Nanosize TiO(2) particles on composites were not reunited, possible because active carbon retards transformation of anatase into rutile and decreases the crystallite size. (2) Production of high concentrations of organic compound near Cr-TiO(2). (3) Carbon in active carbon causes some of the TiO(2) to reduce to Ti(3+) ions, which prevents electron-hole pair recombination. (4) Formation of polychromate species, with a stronger redox capability, on the surface of TiO(2)/AC. It was found that the addition of Cr to TiO(2) sol could suppress the grain growth of TiO(2) crystals and increase the hydroxyl content on the surface of TiO(2)/AC. The photocatalytic efficiency and activity of the composites remained good, even after three cycles.

}, keywords = {EDTA, photoactive, sol-gel, Titanium dioxide, XPS}, issn = {1478-6435}, doi = {10.1080/14786430801955261}, author = {Gambhire, A. B. and Lande, Machhindra K. and Mandale, A. B. and Patil, K. R. and Arbad, B. R.} } @article { ISI:000260079300001, title = {Population proportion approach for ranking differentially expressed genes}, journal = {BMC Bioinformatics}, volume = {9}, year = {2008}, month = {SEP}, pages = {Article No. 380}, publisher = {BIOMED CENTRAL LTD}, type = {Article}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: DNA microarrays are used to investigate differences in gene expression between two or more classes of samples. Most currently used approaches compare mean expression levels between classes and are not geared to find genes whose expression is significantly different in only a subset of samples in a class. However, biological variability can lead to situations where key genes are differentially expressed in only a subset of samples. To facilitate the identification of such genes, a new method is reported. Methods: The key difference between the Population Proportion Ranking Method (PPRM) presented here and almost all other methods currently used is in the quantification of variability. PPRM quantifies variability in terms of inter-sample ratios and can be used to calculate the relative merit of differentially expressed genes with a specified difference in expression level between at least some samples in the two classes, which at the same time have lower than a specified variability within each class. Results: PPRM is tested on simulated data and on three publicly available cancer data sets. It is compared to the t test, PPST, COPA, OS, ORT and MOST using the simulated data. Under the conditions tested, it performs as well or better than the other methods tested under low intraclass variability and better than t test, PPST, COPA and OS when a gene is differentially expressed in only a subset of samples. It performs better than ORT and MOST in recognizing non differentially expressed genes with high variability in expression levels across all samples. For biological data, the success of predictor genes identified in appropriately classifying an independent sample is reported.

}, issn = {1471-2105}, doi = {10.1186/1471-2105-9-380}, author = {Gadgil, Mugdha} } @article { ISI:000259886100006, title = {Practical syntheses of 4-fluoroprolines}, journal = {Journal of Fluorine Chemistry}, volume = {129}, number = {9}, year = {2008}, month = {SEP}, pages = {781-784}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

4-Fluoroprolines are among the most useful nonnatural amino acids in chemical biology. Here, practical routes are reported for the synthesis of the 2S, 4R, 2S, 4S, and 2R,4S diastereomers of 4-fluoroproline. Each route starts with (2S,4R)-4-hydroxyproline, which is a prevalent component of collagen and hence readily available, and uses a fluoride salt to install the fluoro group. Hence, the routes provide process-scale access to these useful nonnatural amino acids. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {4-Fluoroproline, 4-Hydroxyproline, collagen, Nonnatural amino acid, Process-scale synthesis}, issn = {0022-1139}, doi = {10.1016/j.jfluchem.2008.06.024}, author = {Chorghade, Mukund S. and Mohapatra, Debendra K. and Sahoo, Gokarneswar and Gurjar, Mukund K. and Mandlecha, Manish V. and Bhoite, Nitin and Moghe, Santosh and Raines, Ronald T.} } @article { ISI:000254446000024, title = {Pre-organization-mediated macrocylization: efficient synthesis and structural investigations of BINOL-m-phenylenediamine-derived macrocycles}, journal = {Tetrahedron Letters}, volume = {49}, number = {13}, year = {2008}, month = {MAR}, pages = {2139-2142}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

This letter describes a serendipitous discovery of an efficient synthetic route to BINOL-m-phenylenediamine-derived macrocycles. These macrocycles are quickly accessible in an one-pot procedure by the direct condensation of (R) and (S) BINOL bis-acids with suitably substituted m-phenylenediamine analogs. Structural investigations by single crystal X-ray crystallography and solution-state NMR studies provided convincing evidence of their intramolecular hydrogen bonding arrangement and rigid structural architecture. The striking feature of these macrocycles is their ready accessibility in optically pure form coupled with their ease of synthesis. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.01.116}, author = {Srinivas, Deekonda and Gonnade, Rajesh G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000257815100074, title = {Preparation and electrochemical characterization of lithium cobalt oxide nanoparticles by modified sol-gel method}, journal = {Materials Research Bulletin}, volume = {43}, number = {8-9}, year = {2008}, month = {AUG}, pages = {2497-2503}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Uniformly distributed nanoparticles of LiCoO2 have been synthesized through the simple sol-gel method in presence of neutral surfactant (Tween-80). The powders were characterized by X-ray diffractometry, transmission electron microscopy and electrochemical method including charge-discharge cycling performance. The powder calcined at a temperature of 900 degrees C for 5 h shows pure phase layered LiCoO2. The results show that the particle size is reduced in presence of surfactant as compared to normal sol-gel method. Also, the sample prepared in presence of surfactant and calcined at 900 degrees C for 5 h shows the highest initial discharge capacity (106 mAh g(-1)) with good cycling stability as compared to the sample prepared without surfactant which shows the specific discharge capacity of 50 mAh g(-1). (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Electrochemical properties, intercalation reactions, Layered compounds, Sol-gel chemistry, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2007.08.033}, author = {Khomane, Ramdas B. and Agrawal, Amit C. and Kulkarni, B. D. and Gopukumar, S. and Sivashanmugam, A.} } @article { ISI:000255612400002, title = {Preparation of ferroelectric CaBi(4)Ti(4)O(15) powders from novel hydroxide precursors}, journal = {Materials Letters}, volume = {62}, number = {12-13}, year = {2008}, month = {APR}, pages = {1751-1753}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Ferroelectric CaBi(4)Ti(4)O(15) (CBT) powders were prepared for the first time from their respective hydroxides. Commercially purchased Ca(OH)(2) is mixed thoroughly with freshly prepared Bi(OH)(3) and Ti(OH)(4) in stoichiometrie ratio and heated at different temperatures ranging from 100 to 600 degrees C. The CBT phase found to be formed at 500 degrees C by the X-ray diffraction studies. This is the lowest temperature so far reported in the literature for the formation of CBT phase. The advantage of this method is that it also avoids the formation of calcium carbonate phase during synthesis. The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD) method. The average particle size and morphology were studied by scanning electron microscopy (SEM) technique. (c) 2007 Elsevier B.V All rights reserved.

}, keywords = {CaBi(4)Ti(4)O(15), Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray methods}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.09.080}, author = {Deshmukh, Rupali G. and Vaishampayan, Mukta V. and Darshane, Sonali L. and Mulla, Imtiaz S. and Gaikwad, A. B. and Rao, N. Kotaserwara and Ravi, V.} } @article { ISI:000255803800012, title = {Production and single step purification of cyclodextrin glycosyltransferase from alkalophilic bacillus firmus by ion exchange chromatography}, journal = {Biochemical Engineering Journal}, volume = {39}, number = {3}, year = {2008}, month = {MAY}, pages = {510-515}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Production and purification of starch digesting cyclodextrin glycosyl transferase (CGTase) from alkalophilic Bacillus firmus was investigated. Fermentation was carried out in 141 bioreactor at 28 degrees C using a medium containing dextrin, yeast extract, peptone, (NH4)H2PO4 and MgSO4.7H(2)O. The extracellular enzyme was concentrated by tangential flow ultrafiltration. The concentrated enzyme was chromatographed using DEAE-sepharose and phenyl sepharose. DEAE-sepharose could be used to purify CGTase in a single step with 23.1 fold purification and 80.6\% recovery. The enzyme obtained had homogeneity and the molecular weight was 76 kDa confirmed by SDS-PAGE. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {alkalophilic, Bacillus firmus, CGTase, cyclodextrin, Purification}, issn = {1369-703X}, doi = {10.1016/j.bej.2007.09.020}, author = {Savergave, Laman S. and Mule, Santosh S. and Jogdand, Vitthal V. and Nene, Sanjay N. and Gadre, Ramchandra V.} } @article { ISI:000254697200009, title = {Purification and characterization of a T-antigen specific lectin from the coelomic fluid of a marine invertebrate, sea cucumber (Holothuria scabra)}, journal = {Fish \& Shellfish Immunology}, volume = {24}, number = {4}, year = {2008}, month = {APR}, pages = {450-458}, publisher = {ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

A novel lectin was purified from the coelomic fluid of the sea cucumber Holothuria scabra (HSL), subjected to bacterial challenge. HSL is a monomeric glycoprotein of molecular mass 182 kDa. The lectin is highly thermostable as it retains full activity for 1 h at 80 degrees C. Further, the hemagglutination activity of HSL is unaffected by pH in the range 2-11. Unlike other lectins purified from marine invertebrates, the hemagglutination activity of HSL does not require any divalent metal ions. The affinity profile of HSL was studied by a combination of hemagglutination inhibition and fluorescence spectroscopy. HSL binds to desialylated glycoproteins, Me alpha Gal, T-antigen and T (alpha-ser)-antigen with a distinction between beta 1-4 and beta 1-3 linkages. Me alpha-T-antigen was a potent ligand having highest affinity (K-a 8.32 x 10(7) M-1). Monosaccharide binding is enthalphically driven while disaccharide binding involves both entropic and enthalpic contributions. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Fluorescence spectroscopy, Holothuria scabra, Lectin, marine invertebrate, Thermodynamic properties}, issn = {1050-4648}, doi = {10.1016/j.fsi.2008.01.002}, author = {Gowda, Nagaraj M. and Goswami, Usha and Khan, Mohammad Islam} } @article { ISI:000260561800007, title = {Rapid and high biodegradation of phenols catalyzed by Candida tropicalis NCIM 3556 cells}, journal = {Enzyme and Microbial Technology}, volume = {43}, number = {6}, year = {2008}, month = {NOV}, pages = {431-435}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Cells of 19 yeast cultures, belonging to genus Candida were screened for biodegradation of phenol. The cultures procured from NCIM culture collection and were selected so as to contain a representative of varied strains of the species. These were grown in MGYP3 medium and tested for biodegradation of phenol. C. tropicalis (CT) nos. 3118, 3556 and C. lipolytica 3472 effectively degraded \>90\% 2 g l(-1) phenol. The C. tropicalis 3556 strain was selected for further studies as it metabolized \>95\% phenol in just 16 h as compared to the other two which took 48 h. The maximum substrate concentration that could be completely degraded was 2 g l(-1). A study of induction, of different concentration of phenol in the growth medium showed that toxicity to cell growth increased with increasing phenol levels in growth media. Biodegradation of phenol derivatives - o-cresol, m-cresol. 2,6-dimethyl phenol, alpha-naphthol, o-chlorophenol and p-nitrophenol, by the selected three strains indicated that the specificity of each culture varied for different substrate. (C) 2008 Elsevier Inc. All rights reserved.

}, keywords = {Biodegradation, Candida lipolytica, Candida tropicalis, phenol, Phenol derivatives}, issn = {0141-0229}, doi = {10.1016/j.enzmictec.2008.07.008}, author = {Varma, Rita J. and Gaikwad, Bhaskar G.} } @article { ISI:000255774700006, title = {Rigid bicyclo[3.3.0]octane (octahydropentalene): a heavily constrained novel aliphatic template for molecular self-assembly}, journal = {Tetrahedron Letters}, volume = {49}, number = {19}, year = {2008}, month = {MAY}, pages = {3056-3059}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

This Letter reports the utility of a heavily constrained cis-fused bicyclo[3.3.0]octane (octahydropentalene) aliphatic template for effecting molecular self-assembly. An attractive feature of this system is its heavily constrained alicyclic backbone that would allow for the exploration of self-assembling systems with conformationally ordered features. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.03.062}, author = {Kendhale, Amol M. and Gonnade, Rajesh G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000261767400044, title = {Role of solvent molecules as a trigger for the crystal phase transition of syndiotactic polystyrene/solvent complex}, journal = {Macromolecules}, volume = {41}, number = {24}, year = {2008}, month = {DEC}, pages = {9814-9818}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The phase transitions occurring in the syndiotactic polystyrene-norbornadiene complex were investigated by simultaneous measurements of wide-angle X-ray diffraction (WAXD) and differential scanning calorimetry (DSC). To understand the effect of norbornadiene molecules on the phase-transition behavior, the delta form samples with different contents of norbornadiene were prepared. By heating these samples, we found that the delta-to-gamma transition occurred well below 100 degrees C in a broad temperature range, and the onset of the transition temperature depended on the content of norbornadiene included in the starting sample. The sample without norbornadiene molecules showed the delta-to-gamma transition to be above 100 degrees C. Upon further heating, the gamma form transformed into a mixture of alpha and beta forms in the presence of norbornadiene molecules, whereas the sample without norbornadiene transformed into only the alpha form. In this way, it has been found that the solvent molecules, which are not completely evaporated from the sample but are transiently trapped in the amorphous region because of the slow diffusion, have a significant role in facilitating the phase transitions as well as the transition temperatures in the crystalline region. On the basis of WAXD and DSC results, a phase-transition model has been reasonably constructed.

}, issn = {0024-9297}, doi = {10.1021/ma801742p}, author = {Gowd, E. Bhoje and Tashiro, Kohji and Ramesh, C.} } @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: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: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: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: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: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: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 {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: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: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: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: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: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: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: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 { 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:000254851800003, title = {Tandem synthesis of beta-amino alcohols from aniline, dialkyl carbonate, and ethylene glycol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {47}, number = {8}, year = {2008}, month = {APR}, pages = {2484-2494}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient tandem route for selective synthesis of beta-amino alcohols from anilines, dialkyl carbonate and ethylene glycol in the presence of recyclable Na-Y zeolite has been demonstrated. Transesterification of dialkyl carbonate by ethylene glycol produce ethylene carbonate which further reacts with aniline to give beta-amino alcohols in a single step. This reaction system was studied under high-pressure as well as pot reaction condition. Various process parametric effects were investigated for the reaction of aniline, dialkyl carbonate, and ethylene glycol. It was observed that a maximum 51\% yield of mono-beta-amino alcohol, i.e., N-phenylethanolamine (NPEA). is obtained under pressure conditions. The yield of NPEA was improved drastically (\>91\%) by carrying out the reaction under pot conditions using diethyl carbonate as transesterification agent. Finally activity and selectivity of solid catalyst was explained on the basis of nature of active sites and pore structure of the catalyst.

}, issn = {0888-5885}, doi = {10.1021/ie070617q}, author = {Shivarkar, Anandkumar B. and Gupte, Sunil P. and Chaudhari, Raghunath V.} } @article { ISI:000259829900004, title = {T-antigen binding lectin with antibacterial activity from marine invertebrate, sea cucumber (Holothuria scabra): possible involvement in differential recognition of bacteria}, journal = {Journal of Invertebrate Pathology}, volume = {99}, number = {2}, year = {2008}, month = {OCT}, pages = {141-145}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

In invertebrates, cellular and humoral components are evolved to maintain their body immunity and integrity. Both these factors respond to different antigens such as microorganisms, vertebrate erythrocytes and foreign proteins. In this article, we report a study of a lectin (HSL) involved in immune response in the echinoderm, sea Cucumber (Holothuria scabra). Correlative studies indicate that the expression of this defensive lectin is induced by bacterial challenge, wherein cell wall glycoconjugates of bacteria are involved in lectin induction. HSL showed strong broad spectrum antibacterial activity against both gram-positive and gram-negative bacteria. Under in vitro conditions, purified HSL mediate agglutination of the test bacteria, there by indicating a possible mode of action in physiological situation. (c) 2008 Elsevier Inc. All rights reserved.

}, keywords = {agglutination, antibacterial activity, coelomic fluid, Holothuria scabra, Lectin, sea cucumber}, issn = {0022-2011}, doi = {10.1016/j.jip.2008.04.003}, author = {Gowda, Nagaraj M. and Goswami, Usha and Khan, Mohammad Islam} } @article { ISI:000255698500020, title = {Total synthesis and determination of relative and absolute configuration of multiplolide A}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {10}, year = {2008}, month = {MAY}, pages = {3817-3822}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A flexible approach for total syntheses of possible multiplolide A diastereomers establishing the relative and absolute configuration is documented. The adopted strategy features ring-closing metathesis (RCM) as the key reaction and screening of a set of substrates for the feasibility of RCM in general and for the requisite E-configuration of ring olefin in particular. Selective protecting groups manipulation prior to the assembly of the central macrocyclic core was instrumental in installing the epoxide functionality on a fully deprotected nonenolide at the end of the synthesis.

}, issn = {0022-3263}, doi = {10.1021/jo7027568}, author = {Ramana, C. V. and Khaladkar, Tushar P. and Chatterjee, Soumitra and Gurjar, Mukund K.} } @article { ISI:000258030400010, title = {Total synthesis of (S)-(-)-curvularin: a ring-closing-metathesis-based construction of the macrocyclic framework}, journal = {Synlett}, number = {12}, year = {2008}, month = {JUL}, pages = {1801-1804}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A convergent, flexible, and efficient approach to the synthesis of curvularin is described. Key step is the high-yielding macrocyclic ring formation by ring-closing metathesis (RCM) using the Grubbs second-generation catalyst.

}, keywords = {curvularin, Cytotoxic, Pinnick oxidation, Ring-closing metathesis, Wittig reaction}, issn = {0936-5214}, doi = {10.1055/s-2008-1078504}, author = {Mohapatra, Debendra K. and Rahaman, Hasibur and Pal, Rita and Gurjar, Mukund K.} } @article { ISI:000259760100035, title = {Uranyl-anchored MCM-41 as a highly efficient photocatalyst in the oxidative destruction of short chain linear alkanes: an in situ FTIR study}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {40}, year = {2008}, month = {OCT}, pages = {15832-15843}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Uranyl ions anchored in the mesopores of MCM-41 molecular sieve were found to be a highly efficient heterogeneous photocatalyst in the complete degradation of short chain linear alkanes such as methane, ethane, propane, and butane, carried out under ambient conditions of light irradiation. In addition to the formation of carbon dioxide and water, a negligible amount of methane was detected during the photooxidation of ethane, propane, and butane. Further, small amounts of ethane were also obtained during photooxidation of butane, suggesting quenching of *UO22+ by a C-C bond cleavage, in addition to a hydrogen atom abstraction. An C, in situ Fourier transform IR spectroscopy analysis was employed in order to monitor the photooxidation of methane and ethane over *UO22+/MCM-41, where formic acid, formaldehyde, and formate species were the transient species identified from methane, and acetic acid, acetaldehyde, and acetate species were the intermediates obtained from ethane. Appropriate reaction pathways were proposed based on the formation of these species (C-H cleavage) and also from the negligible quantitites of methane and ethane obtained during photooxidation of higher alkanes (C-C cleavage).

}, issn = {1932-7447}, doi = {10.1021/jp80779e}, author = {Krishna, Vidya and Kamble, Valmik S. and Gupta, Narendra M. and Selvam, Parasuraman} } @article { ISI:000253620600008, title = {Use of the pictet-spengler reaction for the synthesis of 1,4-disubstituted-1,2,3,4-tetrahydro-beta-carbolines and 1,4-disubstituted-beta-carbolines: formation of gamma-carbolines}, journal = {Tetrahedron}, volume = {64}, number = {8}, year = {2008}, month = {FEB}, pages = {1654-1662}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Microwave-assisted conjugate addition of indole on nitro-olefins furnished nitro compounds, which were reduced to tryptamines. Further, by using Pictet-Spengler condensation, new 1,4-disubstituted-1,2,3,4-tetrahydro-beta-carbolines were synthesized in diastereoselective manner. Dehydrogenation of the tetrahydro-beta-carbolines produced new 1,4-disubstituted-beta-carbolines. As a new observation, in some of the cases, Pictet-Spengler condensation and dehydrogenation gave two products, namely 1,4-disubstituted-beta-carbolines and 1,4-disubstituted-gamma-carbolines. A mechanism is proposed for this observation. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2, 3, 4-Disubstituted-1, 4-disubstituted-beta-carboline, 4-disubstituted-gamma-carboline, 4-tetrahydro-beta-carboline, 4-tetrahydro-gamma-carboline, Pictet-Spengler reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.12.008}, author = {Kusurkar, Radhika S. and Alkobati, Nabil A. H. and Gokule, Anita S. and Puranik, Vedavati G.} } @article { ISI:000252195200043, title = {Utilization of molasses sugar for lactic acid production by lactobacillus delbrueckii subsp delbrueckii mutant Uc-3 in batch fermentation}, journal = {Applied and Environmental Microbiology}, volume = {74}, number = {1}, year = {2008}, month = {JAN}, pages = {333-335}, publisher = {AMER SOC MICROBIOLOGY}, type = {Article}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {

Efficient lactic acid production from cane sugar molasses by Lactobacillus delbrueckii mutant Uc-3 in batch fermentation process is demonstrated. Lactic acid fermentation using molasses was not significantly affected by yeast extract concentrations. The final lactic acid concentration increased with increases of molasses sugar concentrations up to 190 g/liter. The maximum lactic acid concentration of 166 g/liter was obtained at a molasses sugar concentration of 190 g/liter with a productivity of 4.15 g/liter/h. Such a high concentration of lactic acid with high productivity from molasses has not been reported previously, and hence mutant Uc-3 could be a potential candidate for economical production of lactic acid from molasses at a commercial scale.

}, issn = {0099-2240}, doi = {10.1128/AEM.01595-07}, author = {Dumbrepatil, Arti and Adsul, Mukund G. and Chaudhari, Shivani and Khire, Jayant Malhar and Gokhale, Digambar V.} } @article { ISI:000261555200036, title = {Valence-state analysis through spectroelectrochemistry in a series of quinonoid-bridged diruthenium complexes [(acac)(2)Ru(mu-L)Ru(acac)(2)](n) (n =+2,+1, 0,-1,-2)}, journal = {Chemistry-A European Journal}, volume = {14}, number = {34}, year = {2008}, month = {OCT}, pages = {10816-10828}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The quinonoid ligand-bridged diruthenium compounds [(acac)(2)Ru(mu-L2-)Ru(acac)(2)] (acac(-) = acetylacetonato = 2,4-pentanedionato; L2- = 2,5-dioxido-1,4-benzoquinone, 1; 3,6-dichloro-2,5-dioxido-1,4-benzoquinone, 2; 5,8-dioxido-1,4-naphthoquinone, 3; 2-3-dichloro-5,8-dioxido-1,4-naphthoquinone, 4; 1,5-dioxido-9,10-anthraquinone, 5; and 1,5-diimido-9,10-anthraquinone, 6) were prepared and characterized analytically. The crystal structure analysis of 5 in the rac configuration reveals two tris(2,4-pentanedionato)ruthenium moieties with an extended anthracenedione-derived bis(ketoenolatee) pi-conjugated bridging ligand. The weakly antiferro-magnetically coupled {Ru-III(mu-L2-)Ru{\textendash}(III)} configuration in 1-6 exhibits complicated overall magnetic and EPR responses,. ne simultaneous presence of highly redox-active quinonoid-bridging ligands and of two ruthenium centers capable of adopting the oxidation states +2, +3, and +4 creates a large variety of possible oxidation state combinations. Accordingly. the complexes 1-6 exhibit two reversible one-electron oxidation steps and at least two reversible reduction processes. Shifts to positive potentials were observed on introduction of Cl substituents (1 -\> 2, 3 -\> 4) or through replacement of NH by O (6 -\> 5). The ligand-to-metal charge transfer (LMCT) absorptions in the visible region of the neutral molecules become more intense and shifted to lower energies on stepwise reduction with two electrons. On oxidation, the para-substituted systems 1-4 exhibit monocation intermediates with intervalence charge transfer (IVCT) transitions of (RuRuIV)-Ru-III mixed-valent species. In contrast, the differently substituted systems 5 and 6 show no such near infrared (NIR) absorption. While the first reduction steps are thus assigned to largely ligand-centered processes, the oxidation appears to involve metal-ligand delocalized molecular orbitals with variable degrees of mixing.

}, keywords = {magnetic properties, quinones, ruthenium, spectroelectrochemistry, structure elucidation, valence-state distributions}, issn = {0947-6539}, doi = {10.1002/chem.200800976}, author = {Ghumaan, Sandeep and Sarkar, Biprajit and Maji, Somnath and Puranik, Vedavati G. and Fiedler, Jan and Urbanos, Francisco A. and Jimenez-Aparicio, Reyes and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000255798800008, title = {Van der waals and polar intermolecular contact distances: quantifying supramolecular synthons}, journal = {Chemistry-an Asian Journal}, volume = {3}, number = {5}, year = {2008}, month = {APR}, pages = {868-880}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Crystal structures are viewed as being determined by ranges and constraints on interatomic contact distances between neighboring molecules. These distances are considered to arise from environment-dependent atomic sizes, that is, larger sizes for isotropic, van der Waals type contacts and smaller sizes for more-polar, possibly ionic contacts. Although the idea of different, or anisotropic, radii for atoms is not new, we developed a method of obtaining atomic sizes that is based on a theoretical framework. Using different atomic sizes for the same atom in different environments, we were able to rationalize some structural observations and anomalies. For example, benzene with the Pbca structure may be described in terms of two types of C center dot center dot center dot H interactions: a longer contact largely of the van der Waals type, and a shorter, structure-determining type (C delta-center dot center dot center dot H delta+), which we term {\textquoteleft}{\textquoteleft}n-polar{\textquoteright}{\textquoteright}. Our approach is illustrated with three examples: 1) the equivalence in crystal packing of fluorobenzene, benzonitrile, pyridine N-oxide, and pyridine/HF 1:1 molecular complex, all of which take the not-so-common tetragonal P4(1)2(1)2 space group and are practically isomorphous; 2) the similarity of the Pa3 acetylene and Pbca benzene crystal structures; and 3) the equivalence between an increase in pressure and an increase in the {\textquoteleft}{\textquoteleft}n-polar{\textquoteright}{\textquoteright} contacts in Pbca benzene; in other words, the equivalence between hydrostatic pressure and chemical pressure. In the context of crystal engineering, we describe a method whereby the topological information conveyed in a supramolecular synthon is recast in a more quantitative manner. A particular synthon, and in turn the crystal structure to which it leads, is viable within small ranges of distances of its constituent atoms, and these distances are determined by chemical factors.

}, keywords = {atomic radii, benzene crystal, engineering, supramolecular chemistry, van der Waals radii}, issn = {1861-4728}, doi = {10.1002/asia.200700343}, author = {Ganguly, Parthasarathy and Desiraju, Gautam R.} } @article { ISI:000261711400013, title = {Vitamin K-3 family members - Part II: Single crystal X-ray structures, temperature-induced packing polymorphism, magneto-structural correlations and probable anti-oncogenic candidature}, journal = {Journal of Molecular Structure}, volume = {892}, number = {1-3}, year = {2008}, month = {DEC}, pages = {74-83}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Temperature-induced packing polymorphism is observed for vitamin K-3 (menadione, 3-methyl-1,4-naphthoquinone, 1). Form la crystallizes at 300 K and 1b at 277 K both in the same space group P2(1)/c. Form 1b contains one molecule per asymmetric unit, performing anisotropy in g-factor viz. g(z) = 2.0082, g(y) = 2.0055 and g(x) = 2.0025, whereas form 1a contains two molecules in its asymmetric unit. Vitamin K-3 family members 2, [2-hydroxy vitamin K-3] and 3, [2-hydroxy-1-oximino vitamin K-3] also perform intrinsic neutral active naphthosemiquinone valence tautomers even in dark having spin concentrations due to hydrogen bonding and aromatic stacking interactions which are compared to vitamin K-3. The significant lateral C-H center dot center dot center dot O and O-H center dot center dot center dot pi bifurcated or pi-pi(center dot) interactions are discussed for molecular associations and radical formations. X-ray structure of 3 revealed pi-pi(center dot) stack dimers as radicals signatured in PR as triplet with five hyperfine splits [(A) over bar(N-14) = 11.9 G]. The centrosymmetric biradicals in 3 show diamagnetism at high temperature but below 10 K it shows paramagnetism with mu(eff) as 0.19 B.M. Vitamin K-3 and its family members inhibit biological activities of acid phosphatase (APase), which are proportional to their spin concentrations. This may relate to their probable anti-oncogenic candidature in future. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Anti-oncogenic candidature, H-bonding, Magneto-structural correlations, Naphthosemiquinones in vitamin K-3 family, Packing polymorphism, Spin concentrations}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2008.05.015}, author = {Rane, Sandhya and Ahmed, Khursheed and Salunke-Gawali, Sunita and Zaware, Santosh B. and Srinivas, D. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000252678500008, title = {XPS and AFM investigations on silver-based photoimageable thick film systems}, journal = {Microelectronics International}, volume = {25}, number = {1}, year = {2008}, month = {JAN}, pages = {46-57}, publisher = {EMERALD GROUP PUBLISHING LIMITED}, type = {Article}, address = {HOWARD HOUSE, WAGON LANE, BINGLEY BD16 1WA, W YORKSHIRE, ENGLAND}, abstract = {

Purpose - The purpose of this paper is to ascertain chemical changes occurring at various stages involved in processing of silver-based photoimageable thick films; and to determine ensuing topographical features which other wise appeared to be hindered in 2D scanning electron microscopy. Design/methodology/approach - Surface sensitive techniques, viz. X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM) were used. Findings - Interfacial adhesion of silver film with substrate (Al(2)O(3)) was specifically looked into with respect to role played by photoimaging (before and after exposure to ultra-violet light). XPS results revealed occurrence of subtle chemical changes in terms of unsaturation to saturation in C-C bonding and also an interesting C-Al bonding which presumably improves mechanical adhesion of unfired film with the alumina substrate. AFM was carried out to examine the surface roughness, particle size, and microstructure of film which are very important from the standpoint of high-frequency applications. Originality/value - Surface sensitive techniques like XPS and AFM were exclusively used in order to characterize silver-based photoimageable thick films.

}, keywords = {microscopy, Silver, thick film circuits, X-rays}, issn = {1356-5362}, doi = {10.1108/13565360810846653}, author = {Umarji, Govind and Ketkar, Supriya and Hawaldar, Ranjit R. and Gosavi, Suresh W. and Patil, Kashinath and Mulik, Uttam P. and Amalnerkar, Dinesh P.} } @article { ISI:000260941700137, title = {Zinc oxide nanoparticles as novel alpha-amylase inhibitors}, journal = {Journal of Applied Physics}, volume = {104}, number = {9}, year = {2008}, month = {NOV}, pages = {094907}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Amylase inhibitors, also known as starch blockers, contain substances that prevent dietary starches from being absorbed by the body via inhibiting breakdown of complex sugars to simpler ones. In this sense, these materials are projected as having potential applications in diabetes control. In this context, we report on zinc oxide nanoparticles as possible alpha-amylase inhibitors. Zinc oxide nanoparticles have been synthesized using soft-chemistry approach and 1-thioglycerol was used as a surfactant to yield polycrystalline nanoparticles of size similar to 18 nm, stabilized in wurtzite structure. Conjugation study and structural characterization have been done using x-ray diffraction technique, Fourier transform infrared spectroscopy, UV-visible spectroscopy, and transmission electron microscopy. Cytotoxicity studies on human fibrosarcoma (HT-1080) and skin carcinoma (A-431) cell lines as well as mouse primary fibroblast cells demonstrate that up to a dose of 20 mu g/ml, ZnO nanoparticles are nontoxic to the cells. We report for the first time the alpha-amylase inhibitory activity of ZnO nanoparticles wherein an optimum dose of 20 mu g/ml was sufficient to exhibit 49\% glucose inhibition at neutral pH and 35 degrees C temperature. This inhibitory activity was similar to that obtained with acarbose (a standard alpha-amylase inhibitor), thereby projecting ZnO nanoparticles as novel alpha-amylase inhibitors. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.3009317]

}, issn = {0021-8979}, doi = {10.1063/1.3009317}, author = {Dhobale, Sandip and Thite, Trupti and Laware, S. L. and Rode, C. V. and Koppikar, Soumya J. and Ghanekar, Ruchika-Kaul and Kale, Sangeeta N.} } @article {43242, title = {Accelerating convergence in iterative solution for large-scale complete active space self-consistent-field calculations}, journal = {International Journal of Quantum Chemistry}, volume = {109}, year = {2009}, month = {AUG}, pages = {2178-2190}, abstract = {An algorithm that accelerates the convergence of the iterative optimization of the complete active space self-consistent field (CASSCF) wavefunction so as to find a optimum solution in fewer macroiterations is described. The algorithm is oriented to large-scale CASSCF problems that are to be solved with a combination of density matrix renormalization group (DMRG) method for the configuration interaction (CI) process. The algorithm is based on the alternating (or two-step) CASSCF optimization in which the CI and molecular orbital (MO) parameters are optimized separately. Convergence ratio is improved by finding further optimized MOs from a linear extrapolation of the MO sets of the iteration history. The acceleration results in fewer diagonalizations in a total CASSCF calculation to save a considerable computational cost. The convergence performance is examined in a couple of realistic applications on SiC(3) and poly (phenyl)carbenes. For poly(phenyl)carbenes, the large-size CASSCF calculations with CAS(30e,30o) that entails full pi valence space as well as sp(2) orbital space of carbenes are performed by using the practical implementation of DMRG-CASSCF in conjunction with the acceleration technique. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 2178-2190, 2009}, doi = {10.1002/qua.22099}, author = {Yanai, Takeshi and Kurashige, Yuki and Ghosh, Debashree and Chan, Garnet Kin-Lic} } @article { ISI:000266693600015, title = {Ammonium metavanadate: an effective catalyst for synthesis of alpha-hydroxyphosphonates}, journal = {Arkivoc}, year = {2009}, month = {DEC}, pages = {138-148}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

Ammonium metavanadate (NH(4)VO(3)) is an inexpensive, efficient and mild catalyst for the synthesis of alpha-hydroxyphosphonate derivatives by the reaction of various aryl or heteroaryl aldehydes with triethylphosphite at room temperature. This method affords the alpha-hydroxyphosphonates in short reaction times, under solvent-free conditions, and in high yield.

}, keywords = {Aldehyde, alpha-hydroxyphosphonate, Ammonium metavanadate (NH(4)VO(3)), Solvent-free, Triethyl phosphite}, issn = {1424-6376}, author = {Sonar, Swapnil S. and Kategaonkar, Amol H. and Ware, Madhav N. and Gill, Charansingh H. and Shingate, Bapurao B. and Shingare, Murlidhar S.} } @article { ISI:000264978500019, title = {Applications of a high performance platinum nanocatalyst for the oxidation of alcohols in water}, journal = {Green Chemistry}, volume = {11}, number = {4}, year = {2009}, month = {FEB}, pages = {554-561}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Nanoparticles of platinum (NP-Pt), have been synthesized by supporting high nuclearity anionic carbonyl cluster (Chini cluster) on a water soluble anion exchanger, and the performance of this material, 1, as an oxidation catalyst for alcohols in water has been studied. The E-factor for the synthesis of NP-Pt by this method has been calculated and compared with that of other NP-Pt recently reported in the literature. With 1 as a catalyst, oxidations of a variety of primary and secondary alcohols by dioxygen are achieved and high turnover numbers and selectivities are obtained. The performances of 1 in the oxidation of benzyl alcohol and 1-phenylethanol are compared with those of three other platinum catalysts. These are platinum nanoparticles 2 prepared by the hydrogen reduction of [PtCl6](2-) supported on the same water soluble polymer, 5\% Pt on carbon, and 5\% Pt on alumina, designated as 3 and 4, respectively. 1 has been found to be considerably more active than 2- 4 and also other reported water soluble platinum nanocatalysts. After many turnovers (similar to 1000 and similar to 165 for benzyl alcohol and 1-phenyl ethanol, respectively) partial deactivation (similar to 40\%) is observed, but the deactivated catalyst can be fully regenerated by treatment with dihydrogen. The TEM data of fresh, deactivated and regenerated 1 show a correlation between the particle size and activity. A mechanism consistent with this and other experimental observations including XPS data is proposed.

}, issn = {1463-9262}, doi = {10.1039/b815948c}, author = {Maity, Prasenjit and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000261909800003, title = {Arthrobacter sp lipase immobilization for preparation of enantiopure masked beta-amino alcohols}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {17}, number = {1}, year = {2009}, month = {JAN}, pages = {29-34}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Recent reports on immobilization of lipase from Arthrobacter sp. (ABL, MTCC 5125; IIIM isolate) on insoluble polymers have shown altered properties including stability and enantioselectivity. Present work demonstrates a facile method for the preparation of enantiopure beta-amino alcohols by modulation of ABL enzyme properties via immobilization on insoluble as well as soluble supports using entrapment/covalent binding techniques. Efficacies of immobilized ABL on insoluble supports prepared from tetraethylorthosilicate/aminopropyltriethoxy silane and soluble supports derived from copolymerization of N-vinyl pyrrolidone-allylglycidyl ether (ANP type)/N-vinyl pyrrolidone-glycidyl methacrylate ( GNP type) for kinetic resolution of masked beta-amino alcohols have been studied vis-a-vis free ABL enzyme/wet cell biomass. The immobilized lipase on different insoluble/soluble supports has shown 21 - 110 mg/g protein binding and 30 - 700 U/g activity for hydrolyzing tributyrin substrate. The findings have shown a significant enhancement in enantioselectivity (ee 99\%) vis-a-vis wet cell biomass providing ee 70-90\% for resolution of beta-amino alcohols. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Arthrobacter sp lipase, beta-Aminoalcohol, Enantioselectivity, Immobilization, soluble polymer}, issn = {0968-0896}, doi = {10.1016/j.bmc.2008.11.023}, author = {Chaubey, Asha and Parshad, Rajinder and Gupta, Pankaj and Taneja, Subhash C. and Qazi, Ghulam N. and Rajan, C. R. and Ponrathnam, S.} } @article { ISI:000268403100027, title = {Atomic sizes from atomic interactions}, journal = {Journal of Molecular Structure}, volume = {930}, number = {1-3}, year = {2009}, month = {JUL}, pages = {162-166}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We obtain an atomic size, r(nZ)(c), in the presence of an interaction (represented by an electron-hole pair, e(-)h(+) as in vacuum polarization techniques) as a sum of contribution, r(nv), from the interaction of n(val) valence sand p-electrons and a contribution r(RG) from inner filled shell electrons with rare-gas configuration. The method is applicable to all elements for a given electron configuration that is usually available simply from the position of the elements in the periodic table. The sizes thus obtained are close to other {\textquoteleft}{\textquoteleft}core sizes{\textquoteright}{\textquoteright} obtained in the literature. The transition metal elements are treated as group II elements. This method gives sizes for the actinide and trans-actinide elements without requiring relativistic corrections. The importance of these sizes in interpreting interatomic distances in terms of electronic configuration is illustrated for actinide elements. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Atomic size, Ionic radii, Vacuum polarization}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2009.05.008}, author = {Ganguly, Parthasarathy} } @article { ISI:000264313200007, title = {Autocatalysis: a unit process of biological systems}, journal = {Chemical Engineering Progress}, volume = {105}, number = {3}, year = {2009}, month = {MAR}, pages = {8}, publisher = {AMER INST CHEMICAL ENGINEERS}, address = {3 PARK AVE, NEW YORK, NY 10016-5901 USA}, issn = {0360-7275}, author = {Gadgil, Chetan J. and Kulkarni, B. D.} } @article { ISI:000263980300001, title = {Autocatalysis in biological systems}, journal = {Aiche Journal}, volume = {55}, number = {3}, year = {2009}, month = {MAR}, pages = {556-562}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, issn = {0001-1541}, doi = {10.1002/aic.11842}, author = {Gadgil, Chetan J. and Kulkarni, B. D.} } @article { ISI:000270147700049, title = {Biochemical characterization of two xylanases from yeast Pseudozyma hubeiensis producing only xylooligosaccharides}, journal = {Bioresource Technology}, volume = {100}, number = {24}, year = {2009}, month = {DEC}, pages = {6488-6495}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Two distinct xylanases from Pseudozyma hubeiensis NCIM 3574 were purified to homogeneity. The molecular masses of two native xylanases were 33.3 kDa (PhX33) and 20.1 kDa (PhX20). PhX33 is predominant with alpha-helix and PhX20 contained predominantly beta-sheets. Xylanase, PhX33, possesses three tryptophan and one carboxyl residues at the active site. The active site of PhX20 comprises one residue each of tryptophan, carboxyl and histidine. Carboxyl residue is mainly involved in catalysis and tryptophane residues are solely involved in substrate binding. Histidine residue present at the active site of PhX20 appeared to have a role in substrate binding. Both the xylanases produced only xylooligosaccharides (XOS) with degree of polymerization (DP) 3-7 without formation of xylose and xylobiose. These XOS could be used in functional foods or as prebiotics. Lc ms-ms ion search of cryptic digestion of these xylanases revealed that there is no significant homology of peptides with known fungal xylanase sequences which indicate that these xylanases appear to be new. (c) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Cellulase-free xylanase, Pseudozyma hubeiensis, Xylooligosaccharides}, issn = {0960-8524}, doi = {10.1016/j.biortech.2009.07.064}, author = {Adsul, Mukund G. and Bastawade, Kulbhushan B. and Gokhale, Digambar V.} } @article { ISI:000266712800028, title = {Biodegradation and phenol tolerance by recycled cells of candida tropicalis NCIM 3556}, journal = {International Biodeterioration \& Biodegradation}, volume = {63}, number = {4}, year = {2009}, month = {JUN}, pages = {539-542}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Resting cells of Candida tropicalis NCIM 3556 rapidly degraded almost completely 2 g L(-1) phenol in 16h. In this study, we explored the possibility of further increasing the efficiency of the culture by repeatedly reusing the cell for biodegradation. The effect of continuous recycling of whole cells of C. tropicalis, for biodegradation of phenol indicated that though with each recycle of the cell there was steady decline in phenol biodegradation the conversion was appreciable for five recycle (similar to 70\%) and reached half-life of 50\% after eleven recycles. Inhibition due to substrate, recycling of cells and adaptation of residual cell were estimated and an equation derived; which indicated that the cell resilience to phenol increased with each cycle and at the end of eleven recycle adaptation was 68\%. However, when the adapted cells were sub cultured and showed marginal increase \<10\% in biodegradation. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Biodegradation, Candida tropicalis, Inhibition, phenol, Recycle, Tolerance}, issn = {0964-8305}, doi = {10.1016/j.ibiod.2009.01.001}, author = {Varma, R. J. and Gaikwad, B. G.} } @article { ISI:000273349000001, title = {Bond length variations: electron number profiles and transferable atomic sizes}, journal = {Journal of Molecular Structure}, volume = {936}, number = {1-3}, year = {2009}, month = {NOV}, pages = {1-8}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A profile of the number of electrons with distance along the M-X bond in gas-phase diatomic molecules has been obtained from electron density plots calculated using DFT B3LYP 6-311G** method for some representative molecules. This {\textquoteleft}{\textquoteleft}number profile{\textquoteright}{\textquoteright} is compared with that expected from the partitioning of the 1D bond-distance into atom-specific transferable {\textquoteleft}{\textquoteleft}hub{\textquoteright}{\textquoteright} or core atomic sizes of the M and X atoms and another {\textquoteleft}{\textquoteleft}axle{\textquoteright}{\textquoteright} size which is associated with a pair of (bonding) electrons. The {\textquoteleft}{\textquoteleft}hub{\textquoteright}{\textquoteright} size is proportional to a core atom-specific size, r(nZ)(c) with r(nZ)(c)(M) \>= r(nZ)(c)(X). For {\textquoteleft}{\textquoteleft}single bonds{\textquoteright}{\textquoteright}, the {\textquoteleft}{\textquoteleft}hub{\textquoteright}{\textquoteright} size for M atom is C(M)r(nZ)(c)(M) and for X atom is C(X)r(nZ)(c)(X). The {\textquoteleft}{\textquoteleft}axle{\textquoteright}{\textquoteright} size, DMX, is usually the ordinary (similar to 4a(H)/3 where a(H) is the Bohr radius of the hydrogen atom) or elongated (similar to 2a(H)) bond length of the hydrogen molecule. The {\textquoteleft}{\textquoteleft}hub{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}axle{\textquoteright}{\textquoteright} sizes could be characterized {\textquoteleft}{\textquoteleft}charge-transfer{\textquoteright}{\textquoteright} (C(M) = pi(2/3) = 2.144; C(X) = pi(4/3)/2 = 2.300 and D(MX) = 4a(H)/3) or {\textquoteleft}{\textquoteleft}neutral{\textquoteright}{\textquoteright} (CM or C(X) = 1, 2, ... and D(MX) = 2a(H)). We use a new {\textquoteleft}{\textquoteleft}static{\textquoteright}{\textquoteright} or {\textquoteleft}{\textquoteleft}peripatetic{\textquoteright}{\textquoteright} classification for the core sizes which is derived from a new condition for metallization in elements based on atomic size. The charge-transfer distance, d(MX)(+/-), is usually found for {\textquoteleft}{\textquoteleft}static{\textquoteright}{\textquoteright} conditions while the {\textquoteleft}{\textquoteleft}neutral{\textquoteright}{\textquoteright} description is usually found when X = F or for {\textquoteleft}{\textquoteleft}peripatetic{\textquoteright}{\textquoteright} conditions. Such a partitioning is seen to agree with that from the plot of the total number of electrons, N(el), vs r along a bond axis. The Nel vs r plots from each atom are described by a simple hydrogen-atom-like function which differ away ({\textquoteright}{\textquoteright}out{\textquoteright}{\textquoteright}) or towards ({\textquoteright}{\textquoteright}in{\textquoteright}{\textquoteright}) the M-X bond. Thus N(in,out)(M, X) = (Z(M,X) +/- 1) exp (-r/B(in,out)) where the minus sign is associated with M and plus sign with X and Bin, out being related inversely to the Slater orbital exponent. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {B3LYP, Bond length, Bond-stretch isomer, DFT, Diatomic molecule}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2009.07.007}, author = {Ganguly, Parthasarathy and Kulkarni, Bhakti S. and Pal, Sourav} } @article { ISI:000269664200021, title = {Catalytic synthesis of chalcone and flavanone using Zn-Al hydrotalcite adhere ionic liquid}, journal = {Catalysis Communications}, volume = {10}, number = {14}, year = {2009}, month = {AUG}, pages = {1881-1888}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The Claisen-Schmidt condensation of 2{\textquoteright}-hydroxy acetophenone and benzaldehyde to chalcone and flavanone show that calcined Zn-Al (6) hydrotalcite is active for this synthesis. Coating of ionic liquid {\textquoteleft}1-(tri-ethoxy-silyl-propyl)-3-methyl-imidazolium chloride{\textquoteright} on Zn-Al hydrotalcites was accomplished employing incipient wetness process and on NaY, NaX, MK-5 and silica gel employing co-condensation methodology. Impregnated IL on calcined Zn-Al (6) catalysts were characterized by XRD, SEM, BET, (13)C and (27)Al NMR analysis and the activity of these catalysts were investigated for chalcone and flavanone synthesis. (27)Al CP MAS NMR technique was used to show that interaction of IL with hydrotalcite modifies the acid-base sites and is responsible for enhancement of catalyst activity. Several aromatic aldehydes were screened to assess the general applicability of the system. (c) 2009 Published by Elsevier B.V.

}, keywords = {(27)Al CP MAS NMR, chalcone, Claisen-Schmidt condensation, Flavanone, Ionic liquid, Zn-Al hydrotalcite}, issn = {1566-7367}, doi = {10.1016/j.catcom.2009.06.018}, author = {Kunde, Lalita B. and Gade, Swapna M. and Kalyani, Vishwanath S. and Gupte, Sunil P.} } @article { ISI:000271494300030, title = {Cellulases from penicillium janthinellum mutants: solid-state production and their stability in ionic liquids}, journal = {Bioresources}, volume = {4}, number = {4}, year = {2009}, month = {AUG}, pages = {1670-1681}, publisher = {NORTH CAROLINA STATE UNIV DEPT WOOD \& PAPER SCI}, address = {CAMPUS BOX 8005, RALEIGH, NC 27695-8005 USA}, abstract = {

The cellulase production by P. janthinellum mutants on lignocellulosic material such as cellulose or steam exploded bagasse (SEB) in combination with wheat bran was studied in solid state fermentation (SSF). One of the mutants, EU2D21, produced the highest levels of endoglucanase (3710 IU g(-1) carbon source) and beta-glucosidase (155 IU g(-1) carbon source). Ionic liquids are so-called green solvents that have become attractive for biocatalysis. Stability of mutant cellulases was tested in 10-50\% of the ionic liquid 1-butyl-3-methylimidazolium chloride ([bmim]Cl). FPA and CMCase were significantly stable in 10\% ionic liquid after 5h. beta-glucosidase showed 85\% of its original activity after 5 h incubation in 30\% ionic liquid and retained 55\% of its activity after 24 h. This enzyme preparation hydrolyzed ionic-liquid-treated SEB completely in 15 h in the presence of 20\% ionic liquid. These studies revealed that there is no need of regenerating cellulose after ionic liquid treatment, since cellulase of mutant strain was found to be significantly stable in the ionic liquid.

}, keywords = {Cellulase stability, Ionic liquid, Mutant cellulase, Solid state fermentation}, issn = {1930-2126}, author = {Adsul, Mukund G. and Terwadkar, Asawari P. and Varma, Anjanikumar and Gokhale, Digambar V.} } @article { ISI:000269374500012, title = {Changes in volatile composition during fruit development and ripening of {\textquoteleft}Alphonso{\textquoteright} mango}, journal = {Journal of the Science of Food and Agriculture}, volume = {89}, number = {12}, year = {2009}, month = {SEP}, pages = {2071-2081}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

BACKGROUND: Volatile blends of five developing and five ripening stages of mango (Mangifera indica L. cv. Alphonso) were investigated along with those of flowers and leaves. Raw and ripe fruits of cv. Sabia were also used for comparison. RESULTS: A total of 55 volatiles belonging to various chemical classes such as aldehydes, alcohols, mono- and sesquiterpene hydrocarbons, lactones and furanones were identified. In all Alphonso tissues monoterpenes quantitatively dominated, with 57-99\% contribution; in particular, (Z)-ocimene was found in the highest amount. Ripeness was characterized by the de novo appearance of lactones and furanones in the blend of monoterpenes. Sabja was distinguished by the abundance of monoterpene hydrocarbons in the raw fruit, and that of sesquiterpene hydrocarbons and their derivatives in the ripe stage. CONCLUSION: Various stages of the Alphonso fruit during transition from flower to ripe fruit are characterized by unique volatile signatures that are distinguished from each other by the qualitative and quantitative appearance of different volatile compounds. Thus volatiles can be highly informative markers while studying the development and ripening of mango. (C) 2009 Society of Chemical Industry

}, keywords = {Deogad, Gas chromatography, Mangifera indica, mango products, ripening indicator, Sabja}, issn = {0022-5142}, doi = {10.1002/jsfa.3692}, author = {Pandit, Sagar S. and Kulkarni, Ram S. and Chidley, Hemangi G. and Giri, Ashok P. and Pujari, Keshav H. and Koellner, Tobias G. and Degenhardt, Joerg and Gershenzon, Jonathan and Gupta, Vidya S.} } @article { ISI:000271982400003, title = {Characterization of clay intercalated cobalt-salen catalysts for the oxidation of p-cresol}, journal = {Applied Catalysis A-General}, volume = {370}, number = {1-2}, year = {2009}, month = {NOV}, pages = {16-23}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The intercalation of cobalt-salen complexes into the interlamelar spaces of montmorillonite clay was investigated by various characterization studies. The {\textquoteleft}{\textquoteleft}neat{\textquoteright}{\textquoteright} cobalt-salen complex showed a weight loss at 368 degrees C while the weight loss for the corresponding intercalated complex was observed at much higher temperature of 492 degrees C due to decomposition of the complex. The thermal stabilization observed was due to the host-guest interaction of clay and metal complex and thus confirmed the intercalation. The XANES spectrum of Co(salen)-mont sample revealed the change of symmetry from the tetrahedral in plane to the octahedral structure having an axial bonding of oxygen to the cobalt, indicating that cobalt atoms in Co(salen)-mont were coordinated axially with the lattice oxygen of montmorillonite. Both XANES and EXAFS results indicated that cobalt atoms in Co(salen)-mont form two additional Co-O bonds with a bond length of 0.199 nm by the intercalation while retaining the Co-salen structure. Co-salen intercalated into the montmorillonite clay showed the highest activity for the air oxidation of p-cresol, giving 88\% selectivity to the oxidation products. Effects of NaOH concentration and various solvents on the conversion and selectivity patterns also have been studied. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Cobalt-oxygen bond, Cobalt-salen, Extended X-ray absorption fine structure, Intercalation, Lattice oxygen, Montmorillonite, X-ray absorption near edge structure}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.09.003}, author = {Kshirsagar, V. S. and Garade, Ajit C. and Mane, R. B. and Patil, K. R. and Yamaguchi, A. and Shirai, M. and Rode, C. V.} } @article { ISI:000262769700020, title = {Class II alpha-mannosidase from aspergillus fischeri: energetics of catalysis and inhibition}, journal = {International Journal of Biological Macromolecules}, volume = {44}, number = {1}, year = {2009}, month = {JAN}, pages = {112-115}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Energetics of the catalysis of Class II alpha-mannosidase (E.C.3.2.1.24) from Aspergillus fischeri was studied. The enzyme showed K(cat)/K(m) for Man (alpha 1-3) Man, Man (alpha 1-2) Man and Man (alpha 1-6) Man as 7488, 5376 and 3690 M(-1) min(-1), respectively. The activation energy, Ea was 15.14, 47.43 and 71.21 kJ/mol for a1-3, alpha 1-2 and alpha 1-6 linked mannobioses, respectively, reflecting the energy barrier in the hydrolysis of latter two substrates. The enzyme showed K(cat)/K(m) as 3.56 x 10(5) and 4.61 x 10(5) M(-1) min(-1) and E(a) as 38.7 and 8.92 kJ/mol, towards pNP alpha Man and 4-MeUmb alpha Man, respectively. Binding of Swainsonine to the enzyme is stronger than that of 1-deoxymannojirimycin. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {alpha-Mannosidase, Energy of activation, kinetics, Swainsonine}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2008.10.012}, author = {Shashidhara, K. S. and Gaikwad, Sushama M.} } @article { ISI:000261768700023, title = {Click synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br center dot center dot center dot NO2 synthon}, journal = {Crystengcomm}, volume = {11}, number = {1}, year = {2009}, month = {OCT}, pages = {143-150}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report herein the extention of the azide-alkyne {\textquoteleft}{\textquoteleft}click reaction{\textquoteright}{\textquoteright} to crystal engineering and synthesize a collection of isomeric compounds with modular positioning of Br and NO2 on a tricyclic template and crystal structural analyses of the derived isomers. It is quite remarkable to notice that none of the isomers displayed the bifurcated three-center NO2 center dot center dot center dot Br supramolecular synthon in their crystal structures

}, issn = {1466-8033}, doi = {10.1039/b809985e}, author = {Ramana, C. V. and Chatterjee, Soumitra and Durugkar, Kulbhushan A. and Gonnade, Rajesh G.} } @article {BHONDE, title = {Clickable SBA-15 mesoporous materials: synthesis, characterization and their reaction with alkynes}, journal = {Journal of Materials Chemistry}, volume = {19}, number = {10}, year = {2009}, month = {JAN}, pages = {1409-1416}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

SBA-15 mesoporous silica has been functionalized with azidopropyl groups through both one-pot co-condensation and post-synthetic grafting. For both these methodologies, azidopropyltriethoxysilane was used to introduce the azidopropyl groups. The azidopropyl modified SBA-15 material synthesized by one-pot co-condensation had hexagonal crystallographic order, pore diameters up of 50 angstrom, and the content of azidopropyl groups was found to be 1.3 mmol g(-1). The presence of the azidopropyl group was confirmed by multinuclear ((13)C, (29)Si) solid state NMR and IR spectroscopy. Both these materials underwent very efficient Cu(I)-catalyzed azide alkyne {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} reaction (CuAAC) with a variety of alkynes. Nearly 85\% of the azide present in the SBA-15 material was converted to the corresponding triazole when propargyl alcohol was used as the substrate. This methodology was also used to incorporate mannose into SBA-15. Incubation of this mannose labeled SBA-15 with fluorescein labeled Concanavalin-A led to the formation of a fluorescent silica-protein hybrid material. The ease of synthesis for the azide labeled SBA-15 material together with its ability to undergo very efficient chemoselective CuAAC in water would make it a very attractive platform for the development of covalently anchored catalysts, enzymes and sensors.

}, issn = {0959-9428}, doi = {10.1039/b815350g}, author = {Malvi, Bharmana and Sarkar, Bibhas R. and Pati, Debasis and Mathew, Renny and Ajithkumar, Thalasseril G. and Sen Gupta, Sayam} } @article { ISI:000262605200024, title = {Combustion synthesis of triangular and multifunctional ZnO1-xNx (x <= 0.15) materials}, journal = {Chemistry of Materials}, volume = {21}, number = {2}, year = {2009}, month = {JAN}, pages = {351-359}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The preparation and characterization of multifunctional ZnO1-xNx (x \<= 0.15) via a simple solution combustion method is reported. ZnO1-xNx exhibits visible light absorption, thermal stability, nanometer-/ micrometer-sized triangular particles, and catalytic properties. X-ray diffraction studies of ZnO1-xNx, demonstrate that the lattice oxygen in ZnO is replaced by nitrogen without any major change in the wurtzite structure; however, charge compensation occurs, because of interstitial Zn atoms, as well as oxygen vacancies. Microscopic studies reveal the dominance of nanometer- and micrometer-sized triangles of ZnO1-xNx. UV-visible and Raman spectra indicate a midgap state, derived from N 2p states, and direct Zn-N interaction, respectively. Secondary ion mass spectrometry studies show the presence of N and ZnN species in the bulk and support the direct Zn-N interaction. Electron paramagnetic resonance (EPR) studies indicate the presence of a small amount of defects. Photocatalytic decomposition of rhodamine B, and anisole acylation at room temperature, highlights the effectiveness of ZnO1-xNx to catalysis applications. The aforementioned multifunctional characteristics suggest that ZnO1-xNx might be used in place of conventional ZnO for better control and that it might be explored for further applications in catalysis and optoelectronics.

}, issn = {0897-4756}, doi = {10.1021/cm803048h}, author = {Mapa, Maitri and Gopinath, Chinnakonda S.} } @article { ISI:000264484400007, title = {Comparative studies of two araceous lectins by steady state and time-resolved fluorescence and CD spectroscopy}, journal = {Journal of Fluorescence}, volume = {19}, number = {2}, year = {2009}, month = {MAR}, pages = {239-248}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Transitions in the tryptophan microenvironment and secondary structure of two monocot lectins from Sauromatum guttatum and Arisaema tortuosum under different denaturing conditions were studied by steady state and time resolved fluorescence and CD spectroscopy. The lectins exist as tetramers with a single tryptophan residue estimated per monomer, present in a polar environment. Quenching with ionic quenchers showed predominantly electropositive environment for tryptophan residues. Acrylamide had maximum quenching effect. A decrease in KI quenching due to lectin denaturation indicated redistribution of charges as a result of possible conformational change. The two values for lifetimes of tryptophanyl population (1.2-1.4 and 6.3-6.4 ns) reduced substantially on quenching or denaturation. Similarly, both the lectins showed a drastic loss of secondary structure in 5 M Gdn-HCl or 6 M Urea or at pH 2.0 and below. For the first time araceous lectins, like legume lectins are shown to bind adenine. The presence of a compact structure at alkaline pH 10.0-12.0 was observed in CD spectra.

}, keywords = {Araceae lectins, Denaturation, fluorescence, Lifetime spectroscopy, Secondary structure}, issn = {1053-0509}, doi = {10.1007/s10895-008-0409-z}, author = {Dharker, Poorva N. and Gaikwad, Sushama M. and Suresh, C. G. and Dhuna, Vikram and Khan, Mohammad Islam and Singh, Jatinder and Kamboj, Sukhdev Singh} } @article {42552, title = {Comparison of feature selection and classification combinations for cancer classification using microarray data}, journal = { International Journal of Bioinformatics Research and Applications}, volume = {5}, year = {2009}, month = {JAN}, pages = {417-431 }, doi = {10.1504/IJBRA.2009.027515}, author = {Vijayan, V. and Bulsara, B. and Gadgil, Chetan J. and Gadgil, Mugdha} } @article { ISI:000272077400009, title = {Complex permeability studies of Ni-Co-Zn ferrites synthesized by an oxalate precursor method}, journal = {Smart Materials \& Structures}, volume = {18}, number = {12}, year = {2009}, month = {DEC}, pages = {125009}, publisher = {IOP PUBLISHING LTD}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Nanocrystalline Co-substituted Ni-Zn ferrites have been synthesized by employing a co-precipitation technique using oxalate precursors. The co-precipitated oxalates were decomposed in air at 650 degrees C for 1 h and the powder was sintered at 1000 degrees C. The phase formation of the sintered ferrite was confirmed by x-ray diffraction studies. The lattice parameter a (angstrom) increases with the addition of Co(2+) which is attributed to the large ionic size of Co(2+) (0.78 angstrom), which replaces Ni(2+) (0.74 angstrom). The crystallite size has been estimated by the Debye-Scherrer formula using the full width at half-maximum (FWHM) of the line broadening of the (311) reflection and it is found to be in the range of 25-28 nm. Also, with increasing cobalt content the magnetocrystalline anisotropy constant (K(1)) and magnetostriction constant (lambda(s)) increase, and the grain size decreases, hence the value of initial permeability mu(i) decreases. The saturation magnetization M(s) and magnetic moment (n(B)) do not show any significant variation for all compositions varying with the cobalt content.

}, issn = {0964-1726}, doi = {10.1088/0964-1726/18/12/125009}, author = {Ghodake, J. S. and Kambale, R. C. and Kulkarni, S. D. and Sawant, S. R. and Suryavanshi, S. S.} } @article { ISI:000271238900017, title = {Concurrent In-situ formation of Ag/Ag2S nanoparticles in polymer matrix by facile polymer-inorganic solid state reaction}, journal = {Journal of Nano Research}, volume = {5}, year = {2009}, month = {JAN}, pages = {143-152}, publisher = {TRANS TECH PUBLICATIONS LTD}, address = {LAUBISRUTISTR 24, STAFA-ZUERICH, CH-8712, SWITZERLAND}, abstract = {

We herein report the feasibility of polymer-inorganic solid-state reaction route for simultaneous in situ generation of Ag \& Ag2S nanostructures in polymer network wherein an engineering thermoplastic, polyphenylene sulphide (PPS), itself acts as a chalcogen source as well as a stabilizing matrix for the resultant nanoproducts. Typical solid-state reaction was accomplished by simply heating the physical admixture of the two reactants i.e. AgNO3 and PPS by varying molar ratios mainly 1:1, 1:5, 1:15, 1:20, at the crystalline melting temperature (285 degrees C) of PPS. The synthesized nanoparticles were characterized by various physico-chemical techniques like X-ray Diffractometry, Scanning Electron Microscopy equipped with EDAX, Transmission Electron Microscopy and UV-Visible spectroscopy. The prima facie observations suggest the effective formation and subsequent entrapment of mainly nanocrystalline metallic silver (fcc) in PPS matrix for all the molar ratios chosen for the reaction. Additionally, simultaneous occurrence of nanocrystalline Ag2S (monoclinic phase) is also noticed in case of heated admixture of AgNO3: PPS with equimolar ratio. The TEM analysis reveals nanoscale polydispersity (5nm to 70nm) and prevalence of mainly spherical morphological features in all the cases with occasional indications of triangular and hexagonal morphological features depending upon the reaction molar ratio.

}, keywords = {Ag, Ag2S, Nanoparticles, Polymer inorganic solid -state reaction, Thermoplastic polymer matrix}, issn = {1662-5250}, doi = {10.4028/www.scientific.net/JNanoR.5.143}, author = {Waghmare, Sujata and Shinde, Manish and Gholap, Ramkrishna S. and Rao, N. Koteswara and Hawaldar, Ranjit R. and Mulik, Uttam P. and Amalnerkar, Dinesh P.} } @article { ISI:000271552400019, title = {Conformational characterization of human eukaryotic initiation factor 2 alpha: a single tryptophan protein}, journal = {Biochemical and Biophysical Research Communications}, volume = {390}, number = {2}, year = {2009}, month = {DEC}, pages = {273-279}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The alpha-subunit of the human eukaryotic initiation factor 2 (heIF2 alpha), a GTP binding protein, plays a major role in the initiation of protein synthesis. During various cytoplasmic stresses, eIF2 alpha gets phosphorylated by eIF2 alpha-specific kinases resulting in inhibition of protein synthesis. The cloned and over expressed heIF2 alpha, a protein with a single tryptophan (trp) residue was examined for its conformational characteristics using steady-state and time-resolved tryptophan fluorescence, circular dichroism (CD) and hydrophobic dye binding. The steady-state fluorescence spectrum, fluorescence lifetimes (tau(1) = 1.13 ns and tau(2) = 4.74 ns) and solute quenching studies revealed the presence of trp conformers in hydrophobic and differential polar environment at any given time. Estimation of the alpha-helix and beta-sheet content showed: (i) more compact structure at pH 2.0, (ii) distorted alpha-helix and rearranged beta-sheet in presence of 4 M guanidine hydrochloride and (iii) retention of more than 50\% ordered structure at 95 degrees C. Hydrophobic dye binding to the protein with loosened tertiary structure was observed at pH 2.0 indicating the existence of a molten globule-like structure. These observations indicate the inherent structural stability of the protein under various denaturing conditions. (C) 2009 Elsevier Inc. All rights reserved.

}, keywords = {Circular dichroism, heIF2 alpha, K562 cells, Molten globule, Steady-state and time-resolved fluorescence}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2009.09.106}, author = {Sreejith, R. K. and Yadav, Viveka Nand and Varshney, Nishant K. and Berwal, Sunil K. and Suresh, C. G. and Gaikwad, Sushama M. and Pal, Jayanta K.} } @article {Kulkarni, title = {Continuous hydroxyalkylation of p-Cresol to 2,2 {\textquoteleft}-methylenebis(4-Methylphenol) in a fixed bed reactor}, journal = {Journal of Chemical Engineering of Japan}, volume = {42}, number = {10}, year = {2009}, month = {OCT}, pages = {782-787}, abstract = {

{Catalytic activity of various solid acid catalysts is evaluated for the continuous hydroxyalkylation of p-cresol to [

}, author = {Garade, Ajit C. and Hengne, Amol M. and Deshpande, Tushar N. and Shaligram, Sayali V. and Shirai, Masayuki and Rode, Chandrashekhar V.} } @article {42458, title = {Copper-catalyzed synthesis of 2-unsubstituted, n-substituted benzimidazoles}, journal = {Journal of Organic Chemistry}, volume = {74}, year = {2009}, month = {NOV}, pages = {9570{\textendash}9572}, abstract = {

An efficient copper-catalyzed intramolecular arylation of formamidines forming 2-unsubstituted benzimidazoles in excellent yields is reported. Sixteen examples bearing sterically demanding substituents on nitrogen like Mes, 2,6-diisopropylphenyl, or 2-tert-butylphenyl and tolerating various functional groups demonstrate the utility of this method.

}, doi = {10.1021/jo902160y}, author = {Hirano, Keiichi and Biju, Akkattu T. and Glorius, Frank} } @article { ISI:000265962600005, title = {Cu(I)-promoted one-pot {\textquoteleft}SNAr-click reaction{\textquoteright} of fluoronitrobenzenes}, journal = {Tetrahedron}, volume = {65}, number = {20}, year = {2009}, month = {MAY}, pages = {3974-3979}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A one-pot two-step sequence involving a nucleophilic aromatic substitution (SNAF) of activated fluorobenzenes with azide nucleophile and in situ Huisgen cycloaddition of the resulting aryl azides with alkynes has been developed for a rapid access to 1,4-substituted triazoles. Control experiments revealed that both the steps are catalyzed by Cu(I) and also the course of reaction as SNAr followed by [3+2]-cycloaddition. (C) 2009 Elsevier Ltd. All rights reserved.

}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.03.035}, author = {Durugkar, Kulbhushan A. and Gonnade, Rajesh G. and Ramana, C. V.} } @article { ISI:000263216000054, title = {Cultivar relationships in mango based on fruit volatile profiles}, journal = {Food Chemistry}, volume = {114}, number = {1}, year = {2009}, month = {MAY}, pages = {363-372}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Aroma volatiles of mango (Mangifera indica L.) determine consumer acceptability and influence selection, whilst breeding. To assess their variety, composition and possible impact on cultivar relationships, volatile blends of 22 Indian and five non-Indian cultivars were investigated using solvent extraction and gas chromatography. Totally 84 volatiles belonging to various chemical classes were detected. Based on the Cumulative Occurrence of members of these classes, cultivars were grouped as monoterpene or sesquiterpene dominant. a-Pinene, beta-myrcene and beta-caryophyllene were found in all 27 cultivars. For ordination, common compounds with high (relative) concentration provided quantitative characters, whereas the rare and lesser ones provided qualitative (binary) characters; non-Indian cultivars separated from Indian ones but displayed close relations within their groups. In conclusion, mango flavour is dominated qualitatively as well as quantitatively by terpene hydrocarbons; ancient selection of mango cultivars is hinted to be driven by different aroma characters in different parts of the world. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Flavour, GC-MS, Mangifera indica, Multivariate analysis, Ordination}, issn = {0308-8146}, doi = {10.1016/j.foodchem.2008.09.107}, author = {Pandit, Sagar S. and Chidley, Hemangi G. and Kulkarni, Ram S. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article { ISI:000269760900028, title = {Design and synthesis of bile acid-based amino sterols as antimicrobial agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {19}, number = {18}, year = {2009}, month = {SEP}, pages = {5411-5414}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

New bile acid-based amino sterols were synthesized in good yields from C-3 beta-oxiranes as key intermediates. These derivatives were evaluated for their in vitro antimicrobial properties against human pathogens. These compounds showed better antibacterial activity as compared to antifungal activity. Compounds 21 and 22 showed comparable antibacterial activity to gentamicin against Staphylococcus aureus with IC(50) values of 5.14 and 4.46 mu g/mL. This is the first report for the synthesis of C-3 beta-oxiranes on the steroids having A/B cis ring junction and these oxiranes have been used for the synthesis of amino sterols 17, 18, 21, and 22. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Amino sterols, Antibacterial agent, bile acid, Oxirane}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2009.07.117}, author = {Aher, Nilkanth G. and Pore, Vandana S. and Mishra, Nripendra N. and Shukla, Praveen K. and Gonnade, Rajesh G.} } @article { ISI:000271103500032, title = {Development of correlations for overall gas hold-up, volumetric mass transfer coefficient, and effective interfacial area in bubble column reactors using hybrid genetic algorithm-support vector regression technique: viscous newtonian and non-newtonian liq}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9631-9654}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The objective of this study was to develop hybrid genetic algorithm-support vector regression (GA-SVR)-based correlations for overall gas hold-up (epsilon(G)), volumetric mass-transfer coefficient (kt,a), and effective interfacial area (a) in bubble Column reactors for gas-liquid systems employing Viscous Newtonian and non-Newtonian systems as the liquid phase. The hybrid GA-SVR is a novel technique based on the feature 0 generation approach using genetic algorithm (GA). In the present study, GA has been used for nonlinear rescaling of attributes. These, exponentially scaled, are eventually subjected to SVR training The technique is an extension of conventional SVR technique, showing relatively enhanced results For this purpose an extensive literature search was done. From the published literature, 1629 data points for viscous Newtonian and 845 data points for VISCOUS non-Newtonian systems for cc;, 500 data points for viscous Newtonian and 556 data points for viscous non-Newtonian systems for k(L)a, and 208 data points for viscous non-Newtonian systems for a, respectively, were collected These data sets were collected spanning the years 1965-2007 Correlations were developed after taking into account all the parameters affecting epsilon(G), k(1)a, and a such as column and sparger geometry, gas-liquid properties, operating temperature, pressure, and Superficial gas and liquid velocities. The correlations thus developed gave prediction accuracies of 0.994 and 0.999 and average absolute relative errors (AARE) of 3.75 and 1.65\% for viscous Newtonian and non-Newtonian systems for epsilon(G), prediction accuracies of 0.983 and 0.998 and AARE of 8 62 and 1.91\% for viscous Newtonian and non-Newtonian systems for k(1)a, and prediction accuracy of 0.999 and AARE of 1\% for viscous non-Newtonian systems for a, respectively. These correlations also showed much improved results when compared with all the existing correlations proposed in literature. To facilitate their usage, all the hybrid GA-SVR-based correlations have been uploaded on the web link http-//wwwesnips.com/web/UICT-NCL.

}, issn = {0888-5885}, doi = {10.1021/ie801834w}, author = {Gupta, Prashant P. and Merchant, Shamel S. and Bhat, Akshay U. and Gandhi, Ankit B. and Bhagwat, Sunil S. and Joshi, Jyeshtharaj B. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000281760100214, title = {Development of mycoinsecticide for the control of insect pests: comparative evaluation of metarhizium isolates to identify strains for commercialization}, journal = {New Biotechnology}, volume = {25}, number = {1}, year = {2009}, month = {SEP}, pages = {S88-S89}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {1871-6784}, doi = {10.1016/j.nbt.2009.06.360}, author = {Deshpande, Mukund V. and Kulkarni, Shuklangi A. and Ghormade, Vandana and Kapoor, Manisha and Chavan, Santosh B. and Kulkarni, Grish and Shouche, Yogesh} } @article { ISI:000265781200006, title = {Development of unified correlations for volumetric mass-transfer coefficient and effective interfacial area in bubble column reactors for various gas-liquid systems using support vector regression}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {9}, year = {2009}, month = {MAY}, pages = {4216-4236}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The objective of this study was to develop a unified correlation for the volumetric mass-transfer coefficient (k(L)a) and effective interfacial area (a) in bubble columns for various gas-liquid systems using support vector regression (SVR-) based modeling technique. From the data published in the open literature, 1600 data points from 27 open sources spanning the years 1965-2007 for k(L)a and 1330 data points from 28 open sources spanning the years 1968-2007 for a were collected. Generalized SVR-based models were developed for the relationship between k(L)a (and a) and each design and operating parameters such as column and sparger geometry, gas-liquid physical properties, operating temperature, pressure, superficial gas velocity, and so on. Further, these models for k(L)a and a are available online at http://www.esnips.com/web/UICT-NCL. The proposed generalized SVR-based correlations for k(L)a and a have prediction accuracies of 99.08\% and 98.6\% and average absolute relative errors (AAREs) of 7.12\% and 5.01\%, respectively. Also, the SVR-based correlation provided much improved predictions compared to those obtained using empirical correlations from the literature.

}, issn = {0888-5885}, doi = {10.1021/ie8003489}, author = {Gandhi, Ankit B. and Gupta, Prashant P. and Joshi, Jyeshtharaj B. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000268436500020, title = {Dipolar S=O center dot center dot center dot C=O and C-H center dot center dot center dot O interactions in the molecular organization of 4,6-di-O-acetyl-2-O-tosyl-myo-inositol 1,3,5-orthoesters}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {65}, number = {7}, year = {2009}, month = {JUL}, pages = {O335-O338}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

In the absence of conventional hydrogen bonding, the molecules of 4,6-di-O-acetyl-2-O-tosyl-myo-inositol 1,3,5-orthoformate, C(18)H(20)O(10)S, (I), and 4,6-di-O-acetyl-2-O-tosyl-myo-inositol 1,3,5-orthobenzoate, C(24)H(24)O(10)S, (II), are associated via C-H center dot center dot center dot O interactions. Molecules of (II) are additionally linked via dipolar S=O center dot center dot center dot C=O contacts. It is interesting to note that the sulfonyl O atom involved in the dipolar S=O center dot center dot center dot C=O contacts does not take part in any other interaction, indicating the competitive nature of this contact relative to the weak hydrogen-bonding interactions.

}, issn = {0108-2701}, doi = {10.1107/S0108270109017211}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000270770900015, title = {Doping-induced microstructural, textural and optical properties of In2Ti1-xVxO5+delta semiconductors and their role in the photocatalytic splitting of water}, journal = {Materials Chemistry and Physics}, volume = {117}, number = {2-3}, year = {2009}, month = {OCT}, pages = {399-407}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The physicochemical properties of V-doped indium titanates (In2Ti1-xVxO5-delta, 0.0 \<= x \<= 0.2) were investigated by using XPS, powder XRD, UV-vis, SEM and luminescence spectroscopy techniques. The Rietveld refinement of XRD data revealed that even though the V-containing samples were isostructural with In2TiO5 (orthorhombic space group Pnma), a systematic x-dependent variation was noticeable in the Ti-O bond lengths in [TiO6] octahedral units, cell parameters and in the value of delta. XPS results confirmed the coexistence of V5+ and V4+ states, leading thereby to an enhancement in oxygen non-stoichiometry in the doped samples. A loading-dependent progressive shift from 400 to 750 nm was also observed in the onset of the absorption edge, indicating a significant narrowing of the band gap. Furthermore, the samples with higher V-content were comprised of the grain clusters having larger size and an irregular shape. The UV-vis. photoluminescence and thermoluminescence studies indicate that the doping-induced lattice defects may give rise to certain closely spaced acceptor/donor energy levels in between the band gap of host matrix. The indium titanates are found to serve as stable photocatalysts for water splitting under visible light, where oxygen was the major reaction product. The role of microstructural and morphological properties in the photocatalytic activity is discussed. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {In2Ti1-xVxO5+delta photocatalysts, Luminescence spectroscopy, Microstructure, Optical properties, Structure-activity relationship, water splitting}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2009.06.013}, author = {Shah, Pallavi and Bhange, Deu S. and Deshpande, Aparna and Kulkarni, Mukund S. and Gupta, Narendra M.} } @article { ISI:000271103500012, title = {Effect of flow structures on heat transfer in single and multiphase jet reactors}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9428-9440}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

High frequency experimental measurements by hot film anemometry (HFA) of liquid velocities and temperature in the region of vapor-liquid (VL) and solid-liquid (SL) interfaces for two important reactor types, namely, condensation jet and jet loop reactors, have been studied for their heat transfer characteristics. An algorithm for flow structure identification has been devised from velocity data based oil (i) zero crossings and (ii) continuous wavelet transform. The wavelet transform algorithm is especially found to be useful in accurately estimating both the age and size distributions of eddies near interfaces in a multiscale framework Using these distributions, it is shown that the calculated values of heat transfer coefficients (HTC) at the SL and VL interfaces show remarkable correspondence with the HTC values obtained experimentally from instantaneous temperature measurements. For this purpose, a modified capacitance model has been proposed that takes into account the information about both the age and size distributions. The results obtained by the present methodology show the improvement possible for calculating the HTC at interfaces when compared with the earlier surface renewal models. It may therefore be used to study the interaction between flow dynamics and heat transfer behavior in chemical process equipment

}, issn = {0888-5885}, doi = {10.1021/ie900052s}, author = {Deshpande, Sagar S. and Mathpati, Channamallikarjun S. and Gulawani, Sagar S. and Joshi, Jyeshtharaj B. and Kumar, V. Ravi} } @article { ISI:000273067400009, title = {Effect of sintering temperature and thermoelectric power studies of the system MgFe2-xCrxO4}, journal = {Solid State Sciences}, volume = {11}, number = {12}, year = {2009}, month = {DEC}, pages = {2075-2079}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Mixed metal oxides showing the spinel structure exhibit interesting structural and electrical properties. Substances with specific compositions in the system MgFe2-xCrxO4 were synthesized by the simple co-precipitation method and have been investigated by X-ray diffraction (XRD) and scanning electron microscope (SEM) to study the effect of temperature on the size of particles and grains. The infrared spectrum shows, two strong bands around 600 and 500 cm(-1). An elemental composition of one of the samples, MgFeCrO4 was found by energy dispersive X-ray spectroscopy (EDS). The thermoelectric power measurements carried out from room temperature to 500 degrees C, show both n-type and p-type behavior. (C) 2009 Elsevier Masson SAS. All rights reserved.

}, keywords = {synthesis, Temperature effect, Thermoelectric studies}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2009.09.005}, author = {Hankare, P. P. and Vader, V. T. and Sankpal, U. B. and Gavali, L. V. and Sasikala, R. and Mulla, Imtiaz S.} } @article { ISI:000263732700047, title = {Effects for the incorporation of five-atom thioacetamido nucleic acid (TANA) backbone on hybridization thermodynamics and kinetics of DNA duplexes}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {9}, year = {2009}, month = {MAR}, pages = {2944-2951}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Thermodynamic studies of nucleic acids serve not only to widen our understanding on the nature and strength of forces that stabilize nucleic acids in a myriad of structural states they assume but also to facilitate the development of databases that could be used to predict the stability and selectivity of probe/primer-sets required in a broad range of nucleic acid-based diagnostic and therapeutic protocols. In the current study, we investigated the effect of a novel, backbone-modified {\textquoteleft}{\textquoteleft}thioacetamido linkage{\textquoteright}{\textquoteright} (TANA) on thermodynamics of hybridization, binding kinetics, and conformation of a DNA duplex. The modification comprises of an extended five-atom amide (N3{\textquoteright}-CO-CH(2)-S-CH(2)) linker, as opposed to four-atom phosphodiester linker backbone present in DNA. One to three TANA-substitutions have been introduced in the linker backbone of two thymidine residues of one of the strand of the DNA duplex. Using spectroscopic and calorimetric techniques, we observed that TANA destabilizes the DNA helix by lowering the favorable enthalpy parameter of duplex formation. TANA center dot DNA duplexes were found to adopt a conformation toward an A-type duplex as shown by circular dichroism spectroscopy studies. Analysis of differential scanning calorimetry data indicated a nonzero heat capacity change, Delta C(p), accompanying the duplex formation. The average Delta C(p) change per duplex was found to be 832.5 cal mol(-1) K(-1), giving an average base-pair change of 59.5 cal (mol of base pairs)(-1) K(-1). Hybridization kinetic measurements using surface plasmon resonance indicated a decrease in binding affinity parameter (K(A)) that originates from higher dissociation rate constants (k(d)). Furthermore, optical melting studies showed that increasing the number of modifications results in a modest change in the number of counterions taken up during duplex formation.

}, issn = {1520-6106}, doi = {10.1021/jp808747g}, author = {Kaur, Harleen and Arora, Amit and Gogoi, K. and Solanke, P. and Gunjal, Anita D. and Kumar, Vaijayanti A. and Maiti, Souvik} } @article { ISI:000264538000029, title = {Efficient formal synthesis of (S)-dapoxetine from enantiopure 3-hydroxy azetidin-2-one}, journal = {Tetrahedron}, volume = {65}, number = {12}, year = {2009}, month = {MAR}, pages = {2605-2609}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient formal synthesis of S-(+) dapoxetine starting from 3-hydroxy azetidin-2-one is described. The intermediate (S)-3-(dimethyl amino)-3-phenylpropan-1-ol was synthesized in enantiopure form starting with 3-hydroxy azetidin-2-one in seven steps. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Azetidin 2 ones, beta-Lactams, Enantioselective synthesis, reduction, Staudinger reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.11.042}, author = {Chincholkar, Pinak M. and Kale, Ajaykumar S. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000263864900016, title = {Efficient gamma-Fe2O3 catalyst for liquid phase air oxidation of p-hydroxybenzyl alcohol under mild conditions}, journal = {Catalysis Communications}, volume = {10}, number = {5}, year = {2009}, month = {JAN}, pages = {485-489}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

gamma-Fe2O3 (maghemite) particles were synthesized at 5 degrees C (LT, low temperature) and 95 degrees C (HT, high temperature) using a simple chemical protocol. The major reflection in XRD was observed to be of the gamma-Fe2O3 phase which was further supported by the XPS analysis. Fe3+ species were responsible for initiation of the oxidation of p-hydroxybenzyl alcohol. SEM revealed that the morphologies of the catalysts were different for samples prepared at two different temperatures. gamma-Fe2O3 (LT) showed the highest catalyst activity (84\% conversion) for liquid phase air oxidation of p-hydroxybenzyl alcohol with 94\% selectivity to the oxidation products at 370 K and ambient pressure conditions. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Air oxidation, gamma-Fe2O3, p-Hydroxybenzaldehyde, p-Hydroxybenzyl alcohol, scanning electron microscopy}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.10.044}, author = {Garade, Ajit C. and Bharadwaj, M. and Bhagwat, S. V. and Athawale, A. A. and Rode, C. V.} } @article { ISI:000271756700023, title = {Electronic decoupling of surface layers from bulk and its influence in oxidation catalysis: a molecular beam study}, journal = {Applied Surface Science}, volume = {256}, number = {2}, year = {2009}, note = {2nd International Conference on Physics at Surfaces and Interfaces (PSI2009), Puri, INDIA, FEB 23-27, 2009}, month = {OCT}, pages = {443-448}, publisher = {Inst Phys; Indian Assoc Cutivat Sci}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Interactions between oxygen and Pd-surfaces have important implications, especially towards oxidation reactions, and influence of subsurface oxygen to oxidation reactions is the focus of the present study. In our efforts to understand the above aspects, CO oxidation reactions have been carried out with mixed molecular beam (MB), consisting CO and O(2), on Pd(1 1 1) surfaces under a wide variety of conditions (T = 400-900 K, CO: O(2) = 7: 1 to 1: 10). A new aspect of the above reaction observed in the transient kinetics regime is the evidence for oxygen diffusion into Pd subsurface layers, and its significant influence towards CO oxidation at high temperatures (\>= 600 K). Interesting information derived from the above studies is the necessity to fill up the subsurface layers with oxygen atoms to a threshold coverage (theta(O-sub)), above which the reactive CO adsorption occurs on the surface and simultaneous CO(2) production begins. There is also a significant time delay (G) observed between the onset of oxygen adsorption and CO adsorption (and CO(2) production). Above studies suggest an electronic decoupling of oxygen covered surface and subsurface layers, which is slightly oxidized, from the metallic bulk, which induces CO adsorption at high temperatures and simultaneous oxidation to CO(2). (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Electronic decoupling, heterogeneous catalysis, molecular beam, Oxidation, Pd(111), Subsurface diffusion}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2009.06.107}, author = {Thirunavukkarasu, Kandasamy and Nagarajan, Sankaranarayanan and Gopinath, Chinnakonda S.} } @article { ISI:000267509500004, title = {Electronic manifestation of cation-vacancy-induced magnetic moments in a transparent oxide semiconductor: anatase Nb:TiO2}, journal = {Advanced Materials}, volume = {21}, number = {22}, year = {2009}, month = {JUN}, pages = {2282+}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Nb-doped anatase TiO2 thin films grown by pulsed-laser deposition show Kondo scattering in elctronic-transport measurements, providing evidence for the formation of magnetic moments. The origin of magnetism is attributed to cation (Ti) vacancies, confirmed by X-ray absorption spectroscopy and first-principle calculations. The Ti vacancies are controlled by oxygen partial pressure during growth.

}, issn = {0935-9648}, doi = {10.1002/adma.200803019}, author = {Zhang, Shixiong and Ogale, Satishchandra B. and Yu, Weiqiang and Gao, Xingyu and Liu, Tao and Ghosh, Saurabh and Das, Gour P. and Wee, Andrew T. S. and Greene, Richard L. and Venkatesan, Thirumalai} } @article { ISI:000268138200061, title = {Electronic structure and catalytic study of solid solution of GaN in ZnO}, journal = {Chemistry of Materials}, volume = {21}, number = {13}, year = {2009}, month = {JUL}, pages = {2973-2979}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Solid solutions of GaN in ZnO (Zn1-zGaz)(O1-xNx) (x and z \<= 0.15) have been prepared by simple solution combustion method, Except for minor changes in the lattice contraction, no significant change in the Wurtzite structure was observed. Raman and secondary ion mass spectrometry results show the direct Zn-N and Ga-N bonds in (Zn1-zGaz)(O1-xNx). Visible light absorption and XPS results demonstrate that N 2p states of nitride occupy the states above the O 2p valence band, and hence a change in optical band gap reduction occurs to similar to 2.5 eV from 3.37 eV for ZnO. Significant nitrogen fixation catalytic activity through NH3 formation has been observed at ambient pressure oil virgin (Zn1-zGaz)(O1-xNx) material, indicating its potential as a catalyst.

}, issn = {0897-4756}, doi = {10.1021/cm900682q}, author = {Mapa, Maitri and Thushara, K. S. and Saha, Biswajit and Chakraborty, Purushottam and Janet, C. M. and Viswanath, R. P. and Nair, C. Madhavan and Murty, K. V. G. K. and Gopinath, Chinnakonda S.} } @article { ISI:000272089600022, title = {Enantioselective synthesis of decarestrictine J}, journal = {Tetrahedron Letters}, volume = {50}, number = {51}, year = {2009}, month = {DEC}, pages = {7188-7190}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient total synthesis of decarestrictine J has been achieved using ring-closing metathesis and Yamaguchi esterification as key steps. The stereogenic centres were generated by means of iterative hydrolytic kinetic resolution (HKR) of racemic epoxides. (c) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Decanolides, epoxides, Hydrolytic kinetic resolution, Ring-closing metathesis, Yamaguchi esterification}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.10.035}, author = {Chowdhury, Partha Sarathi and Gupta, Priti and Kumar, Pradeep} } @article { ISI:000262301900031, title = {Enhancing intermolecular benzoyl-transfer reactivity in crystals by growing a {\textquoteleft}{\textquoteleft}reactive{\textquoteright}{\textquoteright} metastable polymorph by using a chiral additive}, journal = {Chemistry-A European Journal}, volume = {15}, number = {1}, year = {2009}, month = {NOV}, pages = {261-269}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Racemic 2,4-di-O-benzoyl-myo-inositol-1,3,5-orthoacetate, which normally crystallizes in a monoclinic form (form I, space group P2(1)/n) could be persuaded to crystallize out as a metastable polymorph (form II, space group C2/c) by using a small amount of either D- or L- 2,4-di-O-benzoyl-myo-inositol-1,3,5-orthoformate as an additive in the crystallization medium. The structurally similar enantiomeric additive was chosen by the scrutiny of previous experimental results on the crystallization of racemic 2,4-di-O-benzoyl-myo-inositol-1,3,5-orthoacetate. Form II crystals call be thermally transformed to form I crystals at about 145 degrees C. The relative organization of the molecules in these dimorphs vary slightly in terms of the helical assembly of molecules, that is, electrophile (El)center dot center dot center dot nucleophile (Nu) and C-H center dot center dot center dot pi interactions, but these minor variations have a profound effect on the facility and specificity of benzoyl-group-transfer reactivity in the two crystal forms. While form II crystals undergo a clean intermolecular benzoyl-group-transfer reaction, form I crystals are less reactive and undergo non-specific benzoyl-group transfer leading to a Mixture of products. The role played by the additive in fine-tuning small changes that are required in the molecular packing opens up the possibility of creating new polymorphs that show varied physical and chemical properties. Crystals of D-2.6-di-O-benzoyl-myo-inositol-1,3,5-orthoformate (additive) did not show facile benzoyl-group-transfer reactivity (in contrast to the corresponding racemic compound) due to the lack of proper juxtaposition and assembly of molecules.

}, keywords = {Acylation, carbohydrates, Crystal growth, cyclitols, solid-state reactions}, issn = {0947-6539}, doi = {10.1002/chem.200801484}, author = {Murali, Chebrolu and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000270790500006, title = {Entrainer for batch distillation of acetic acid -water system}, journal = {Journal of Scientific \& Industrial Research}, volume = {68}, number = {10}, year = {2009}, month = {OCT}, pages = {871-875}, publisher = {NATL INST SCIENCE COMMUNICATION}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Acetic acid-water system (AW) poses a challenge in reactive distillation, acetic acid purity and loss of acetic acid in aqueous solutions. Feasible separation of AW has been studied using entrainers but acetic acid loss in lean phase cannot be avoided. This study presents feasible region to operate column with toluene and benzene as entrainer for AW. Liquid-liquid equilibrium data and nature of tie line for ethyl acetate are given priority.

}, keywords = {Acetic acid, Batch distillation, Benzene, Entrainer, Toluene}, issn = {0022-4456}, author = {Gadekar, S. V. and Naik, R. V. and Kaul, S. N.} } @article { ISI:000262886200019, title = {Epitaxially grown zinc-blende structured Mn doped ZnO nanoshell on ZnS nanoparticles}, journal = {Materials Research Bulletin}, volume = {44}, number = {2}, year = {2009}, month = {FEB}, pages = {339-344}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Zinc oxide in the bulk as well as in the nanocrystalline form is thermodynamically stable in the wurtzite structure. However, zinc oxide in the zinc-blende structure is more useful than that in the wurtzite structure due to its superior electronic properties as well as possibility of efficient doping. Therefore, zinc oxide shell is grown epitaxially on zinc sulphide core nanoparticles having zinc-blende structure. It is shown that doping of manganese could be achieved in zinc oxide nanoshell with zinc-blende structure. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Chemical synthesis, Luminescence, Nanostructures, Semiconductors, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2008.05.015}, author = {Limaye, Mukta V. and Singh, Shashi B. and Date, Sadgopal K. and Gholap, Ramkrishna S. and Kulkarni, Sulabha K.} } @article { ISI:000264236700037, title = {Exploration of click reaction for the synthesis of modified nucleosides as chitin synthase inhibitors}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {17}, number = {6}, year = {2009}, month = {MAR}, pages = {2433-2440}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Click reaction approach toward the synthesis of two sets of novel 1,2,3-triazolyl linked uridine derivatives 19a-19g and 21a-21g was achieved by Cu(I)-catalyzed 1,3-dipolar cycloaddition of 5{\textquoteright}-azido-5{\textquoteright}-deoxy-2{\textquoteright},3{\textquoteright}-O-(1-methylethylidene) uridine (17) with propargylated ether of phenols 18a-18g and propargylated esters 20a-20g. Structure of one of the representative compound 19d was unambiguously confirmed by X-ray crystallography. Chitin synthase inhibition study of all these compounds 19a-19g and 21a-21g was carried out to develop antifungal strategy. Compounds 19d, 19e, 19f, and 21f were identified as potent chitin synthase inhibitors by comparing with nikkomycin. Compounds 19a, 19b, 19c, 19d, 21a, and 21b showed good antifungal activity against human and plant pathogens. Compounds 19a, 19b, 19f, 21c, 21f, and 21g were identified as lead chitin synthase inhibitors for further modi. cations by comparing results of inhibition of growth, \% germ tube formation and chitin synthase activity. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2, 3-dipolar cycloaddition, 3-Triazole, 4-Disubstituted-1, 5 {\textquoteleft}-Azidouridine, Antifungal compounds, Chitin synthase activity, Click reaction, Uridine nucleosides}, issn = {0968-0896}, doi = {10.1016/j.bmc.2009.02.019}, author = {Chaudhary, Preeti M. and Chavan, Sayalee R. and Shirazi, Fazal and Razdan, Meenakshi and Nimkar, Prachi and Maybhate, Shailaja P. and Likhite, Anjali P. and Gonnade, Rajesh G. and Hazra, Braja G. and Deshpande, Mukund V. and Deshpande, Sunita R.} } @article { ISI:000271238900027, title = {Field emission properties of Al-doped ZnO nanostructures}, journal = {Journal of Nano Research}, volume = {5}, year = {2009}, month = {JAN}, pages = {231-237}, publisher = {TRANS TECH PUBLICATIONS LTD}, address = {LAUBISRUTISTR 24, STAFA-ZUERICH, CH-8712, SWITZERLAND}, abstract = {

Field emission from Al-doped ZnO nanostrcutures has been investigated in planar diode configuration under ultra high vacuum conditions. The Al-doped ZnO nanostructures were synthesized by co-precipitation method with varying aluminium concentrations. The as- synthesized product was characterized by x-ray diffraction, scanning electron microscope and energy dispersive x-ray analysis. The threshold field required to draw a current density of similar to 1 mu A/cm(2) was observed to be similar to 2.0 V/mu m and similar to 2.3 V/mu m for Al-doped ZnO nanostructures synthesized with aluminium concentrations of 1\% and 3\%, respectively. The Fowler- Nordheim (F-N) plots for both the specimens exhibit non-linear behaviour, which is observed to be specimen dependent. The nonlinearity observed in the F-N plots has been interpreted on the basis of the theory of electron emission from semiconductor emitters. The field enhancement factors, estimated from the slope of the F-N plots, are found to be similar to 9.3 x 10(3) and 3.9 x 10(3) for 1\% and 3\% Al-doped ZnO emitters, respectively. The high values of the field enhancement factor Suggest that the emission is from the nanostructures. The emission current stability measured at the preset value of similar to 2 mu A over a period of more than three hours is found to be fairly stable. The results indicate use of Al-doped ZnO nanostructures as promising emitters for field emission based devices.

}, keywords = {field emission, Fowler-Nordheim plots, Nanostructures, ZnO}, issn = {1662-5250}, author = {Navale, Shalaka C. and Sheini, Farid Jamali and Patil, Sandip S. and Mulla, Imtiaz S. and Joag, Dilip S. and More, Mahendra A. and Gosavi, Suresh W.} } @article { ISI:000271841900023, title = {First asymmetric total synthesis of aspinolide A}, journal = {Tetrahedron Letters}, volume = {50}, number = {50}, year = {2009}, month = {DEC}, pages = {7018-7020}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The first total synthesis of aspinolide A has been achieved using ring-closing metathesis as a key step. The stereogenic centers were generated by means of hydrolytic kinetic resolution (HKR) of racemic epoxides. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Decanolides, epoxides, Hydrolytic kinetic resolution, Ring-closing metathesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.09.151}, author = {Chowdhury, Partha Sarathi and Gupta, Priti and Kumar, Pradeep} } @article { ISI:000265515400019, title = {Green and sustainable approach to BIS-(INDOLYL) alkanes}, journal = {Indian Journal of Heterocyclic Chemistry}, volume = {18}, number = {3}, year = {2009}, month = {JAN}, pages = {279-282}, publisher = {DR R S VARMA}, address = {C-85 SECTOR-B, ALIGANJ SCHEME, LUCKNOW, INDIA 226020 USA}, abstract = {

An efficient, high yielding, green and mild method has been developed for the synthesis of bis (indolyl) methanes using dodecylsulphonic acid as an effective surfactant type Bronsted acid catalyst in aq media. The method is excellent for various new bis-(indolyl) methanes derived from pyrazolaldehydes.

}, issn = {0971-1627}, author = {Gholap, Somnath S. and Wakchaure, Prasad B. and Pandhare, Gajanan R. and Gill, Charansingh H.} } @article { ISI:000271103500011, title = {Heterogeneous cobalt-saponite catalyst for liquid phase air oxidation of p-cresol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9423-9427}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Heterogeneous Co-saponite was found to be an efficient catalyst for the liquid phase oxidation of p-cresol under mild conditions. Divalent cobalt tons were found to be in both the tetrahedral and octahedral positions of the saponite clay. Studies on the effect of reaction parameters showed that the rate of reaction increased with increase in Co loading from 5 to 13\% and then remained constant up to 30\% of Co loading, while the rate of oxidation showed a first-order dependence on the partial pressure of oxygen up to 300 kPa. Results of oxidation experiments over Co-saponite, in an Inert atmosphere, and the XPS studies Suggest Mars-van Krevelen pathway operating, which involves lattice oxygen of Co-saponite in the liquid phase oxidation of p-cresol.

}, issn = {0888-5885}, doi = {10.1021/ie801941e}, author = {Kshirsagar, Vikas S. and Garade, Ajit C. and Patil, Kashinath R. and Jha, Ratnesh Kumar and Rode, Chandrashekhar V.} } @article { ISI:000269877500009, title = {High energy electron irradiation effects on polystyrene films}, journal = {Radiation Effects and Defects in Solids}, volume = {164}, number = {10}, year = {2009}, month = {SEP}, pages = {PII 914466497}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The effect of an 8MeV electron-beam on the structural, optical and dielectric properties of polystyrene films has been investigated respectively by means of Fourier transform infrared (FTIR) spectroscopy, ultraviolet-visible (UV-VIS) spectroscopy and electrical impedance (LCR) analysis over a radiation dose in the range of 50-250kGy using a Microtron accelerator. The FTIR spectral analysis shows no change in the overall structure of the irradiated polystyrene films, except a minor change in the intensity of a few peaks in the FTIR spectrum, indicating that polystyrene is resistant to electron-beam irradiation over the range of radiation doses investigated. The optical band gap analysis using the UV-VIS absorption spectra of the polystyrene shows a small decrease in the optical band gap (Eg) and the activation energy with an increase in electron doses. Further, the dielectric measurements over a frequency range of 100Hz to 1MHz for the electron-beam-irradiated polystyrene films show that both the dielectric constant and the dielectric loss increase with an increase in electron radiation dose, which may be ascribed to the formation of defect sites in the band gap of polystyrene as a consequence of molecular chain scission in the polymer films upon irradiation.

}, keywords = {electrons, optical spectroscopy, Polymers, radiation}, issn = {1042-0150}, doi = {10.1080/10420150903173262}, author = {Mathad, R. D. and Kumar, H. G. Harish and Sannakki, B. and Ganesh, S. and Sarma, K. S. S. and Badiger, Manohar V.} } @article { ISI:000263319900006, title = {Highly stereoselective approach toward the synthesis of the macrolactone core of amphidinolide W}, journal = {Tetrahedron Letters}, volume = {50}, number = {7}, year = {2009}, month = {FEB}, pages = {755-758}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The diastereoselective synthesis of the macrolactone core of amphidinolide W was successfully accomplished using Evans{\textquoteright} asymmetric alkylation, Aldol reaction, Julia-Kocienski olefination, and Kita{\textquoteright}s macrocyclization protocol. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Amphidinolide W, Evans aldol, Evans alkylation, Julia-Kocienski olefination, Kita{\textquoteright}s macrocyclization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.11.088}, author = {Mohapatra, Debendra K. and Chatterjee, Bhaskar and Gurjar, Mukund K.} } @article {42582, title = {Hybrid core-shell nanoparticles: photoinduced electron-transfer for charge separation and solar cell application}, journal = {Chemistry of Materials}, volume = {21}, year = {2009}, month = {OCT}, pages = {5292{\textendash}5299}, abstract = {

We report growth and formation of hybrid core-shell nanoparticle systems, where photoinduced electron-transfer takes place from the II-VI semiconducting core to an organic shell. With the hybrid core-shell nanoparticles, we fabricate devices so that the photoinduced electron-transfer can finally yield photocurrent and result photovoltaic solar cells. Formation of an organic shell-layer on CdSe nanoparticles is supported by electronic absorption spectroscopy. Electron-transfer from the nanoparticle in the core to a number of organic molecules in the shell is established from quenching of photoluminescence intensity of CdSe nanoparticles as well as from a change in the lifetime of photoluminescence emission. Devices based on the hybrid core-shell nanoparticles in a suitable hole-transporting layer with two dissimilar metal electrodes show efficient photovoltaic performance. Here, following the electron-transfer, electrons flow through the organic molecules and holes, left in the nanoparticles, move through the hole-transporting polymer to the opposite electrodes to yield photovoltaic short-circuit current. The role of CdSe nanoparticles in light-harvesting and charge-generation has been substantiated by control experiments with ZnS nanoparticles in the core. In ZnS-based hybrid core-shell systems, photovoltaic performance is low since photoinduced electron-transfer does not occur from ZnS to the dye.

}, doi = {10.1021/cm902404s}, author = {Guchhait, Asim and Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000267168600002, title = {Hydrolytic kinetic resolution as an emerging tool in the synthesis of bioactive molecules}, journal = {Synlett}, number = {9}, year = {2009}, month = {JUN}, pages = {1367-1382}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A variety of racemic epoxides mainly derived from terminal olefins, such as aliphatic epoxides, multifuncitonalized epoxides and amine-substituted epoxides, have been successfully resolved into the enantiomerically pure epoxides and diols using Jacobsen{\textquoteright}s hydrolytic kinetic resolution (HKR) method. The chiral epoxides thus prepared were further elaborated by synthetic manipulation to provide a variety Of Compounds of biological interest. A general synthetic strategy for the construction Of S synlanti-1,3-polyol systems using iterative HKR has been developed, which was subsequently utilized in the synthesis of natural products with a broad range of biological activity. The protocol for the 1,3-polyols was also further extended to the synthesis of 1,3-amino alcohols.

}, keywords = {Biological activity, Hydrolytic kinetic resolution, Natural products, synthesis, terminal epoxides}, issn = {0936-5214}, doi = {10.1055/s-0029-1217171}, author = {Kumar, Pradeep and Gupta, Priti} } @article { ISI:000267914600004, title = {Identification of Indian pathogenic races of fusarium oxysporum f. sp ciceris with gene specific, ITS and random markers}, journal = {Mycologia}, volume = {101}, number = {4}, year = {2009}, month = {AUG}, pages = {484-495}, publisher = {ALLEN PRESS INC}, address = {810 E 10TH ST, LAWRENCE, KS 66044 USA}, abstract = {

In this study we demonstrate the synergistic use of gene-specific markers, ITS-RFLP, ISSR and AFLP for distinguishing Indian F. oxysporum f. sp. ciceris races. We also report for the first time that F. oxysporum f. sp. ciceris race 3, a wilt pathogen of chickpea in India, is actually E proliferatum based on phylogenetic analysis with EF-1 alpha sequence data. E oxysporum f. sp. ciceris races 1, 2 and 4 were easily distinguished from {\textquoteleft}{\textquoteleft}race 3{\textquoteright}{\textquoteright} (F. proliferatum) by PCR amplification with oligonucleotides designed from conserved regions of Hop78 transposon (Hop 78), cutinase (Cut), desaturase (Dst). F oxysporum f. sp. ciceris race 4 was distinguished with the xylanase 3 (xyl3) gene by absence of amplification product only in this race. The Xyl3 amplified-DNA fragment isolated and sequenced from E oxysporum f. sp. ciceris race I was similar to the F-xylanase (Xyl3) gene of E oxysporum f. sp. lycopersici. A TELD motif, which is characteristic of the F-xylanases family, was detected within the deduced amino acid sequence of F. oxysporum f. sp. ciceris. Similarly the F oxysporum f. sp. ciceris Hop78 DNA fragment, which identified {\textquoteleft}{\textquoteleft}race 3{\textquoteright}{\textquoteright} (E proliferatum), was homologous to the Hop78 transposon of E oxysporum f. sp. melonis, including the 100 amino acid conserved domain and the characteristic CCHC motif. The internal transcribed spacer region-restriction fragment length polymorphism (ITS-RFLP) approach along with intersimple sequence repeat (ISSR) method also differentiated {\textquoteleft}{\textquoteleft}race 3{\textquoteright}{\textquoteright} (F. proliferatum). Races 1 and 2 were identified by unique AFLP patterns. Sequence characterization of race-specific AFLP products revealed significant homologies of these sequences with metabolically important genes.

}, keywords = {AFLP, F. oxysporum f. sp ciceris races, gene specific amplification, ISSR, ITS-RFLP, race delineation, sequence characterization, translation elongation factor (EF-1 alpha)}, issn = {0027-5514}, doi = {10.3852/08-085}, author = {Gurjar, Gayatri and Barve, Maneesha and Giri, Ashok P. and Gupta, Vidya} } @article { ISI:000264092400030, title = {Impact of zinc substitution on the structural and magnetic properties of chemically derived nanosized manganese zinc mixed ferrites}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {321}, number = {8}, year = {2009}, month = {APR}, pages = {1092-1099}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Mn(1-x)Zn(x)Fe(2)O(4) nanoparticles (x = 0-1) were synthesized by wet chemical co-precipitation techniques. X-ray diffraction, transmission electron microscopy and high-resolution transmission electron microscopy were effectively utilized to investigate the different structural parameters. The elemental analysis was conducted using energy-dispersive spectrum and inductively coupled plasma analysis. The magnetic properties such as magnetization and coercivity were measured using vibrating sample magnetometer. The observed magnetization values of the nanoparticles were found to be lower compared to the bulk counterpart. The magnetization showed a gradual decrease with zinc substitution except for a small increase from x = 0.2 to 0.3. The Curie temperature was found to be enhanced in the case of ferrites in the nanoregime. The variation in lattice constant, reduced magnetization values, variation of magnetization with zinc substitution, the presence of a net magnetic moment for the zinc ferrite and the enhancement in Curie temperature in Mn(1-x)Zn(x)Fe(2)O(4) all provide evidence to the existence of a metastable cation distribution together with possible surface effects at the nanoregime. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Manganese zinc ferrite}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2008.10.031}, author = {Gopalan, E. Veena and Al-Omari, I. A. and Malini, K. A. and Joy, Pattayil Alias and Kumar, D. Sakthi and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000271713300024, title = {Influence of electronic factors on pd-mediated cycloisomerization: a systematic investigation of competitive 6-exo-dig versus 7-endo-dig cyclizations of sugar alkynols}, journal = {Tetrahedron}, volume = {65}, number = {47}, year = {2009}, month = {NOV}, pages = {9819-9832}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Pd-mediated cycloisomerization of 3-C-propargyl-ribo- and allofuranose derivatives was investigated in detail to understand the influence of electronic factors on the regioselectivity (6-exo- vs 7-endo) of alkynol cycloisomerization leading either to a six- or seven-membered ring. In general, the 6-exo-dig mode of cyclization is facile and is independent of electronic factors. With some of the alkynols, a regioselective (7-endo?) hydration of the alkyne unit was observed and this has been attributed to the participation of C(3)-OH. When the C(3)-OH was protected as its benzyl ether, cycloisomerization of these alkynols occurred exclusively in a 6-exo-dig mode resulting in the corresponding [3.2.1]-bicyclic ketals. Additional control experiments conducted were in support of the participation of C(3)-OH in regioselective alkyne hydration. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Alkynol cycloisomerization, Bridged bicyclic ketal, Palladium, Sonogashira coupling, Sugar alkynol}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.09.071}, author = {Ramana, C. V. and Induvadana, Boddeti and Srinivas, Burgula and Yadagiri, Kommagalla and Deshmukh, Madhusudhan N. and Gonnade, Rajesh G.} } @article { ISI:000272134300006, title = {Interaction of alpha-mannosidase from aspergillus fischeri with glycosidase inhibitors, metal ions and group specific reagents}, journal = {Research Journal of Biotechnology}, volume = {4}, number = {4}, year = {2009}, month = {NOV}, pages = {39-48}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {

As an initial step towards using alpha-mannosidase as a target against anticancer drugs, inhibition studies of a model enzyme, class II alpha-mannosidase from Aspergillus fischeri in presence of polyhydroxy piperidine derived glycosidase inhibitors, metal ions and amino acid specific reagents were carried out to reveal the sensitivity of the enzyme. Three of the derivatives (Compound 20, 32 and 39)(11) showed competitive inhibition (K(i) =45, 48 and 235 mu M) and the binding of the inhibitors to the enzyme was entropically driven. Among the metal ions checked, Cu(++) (K(i) = 21nm) and Se(++) ions (K(i) = 32 mu M) showed noncompetitive and Co(++) (K(i) = 1.195 mM) showed competitive inhibition of the enzyme activity with insignificant change in the secondary structure of the protein. The above studies exhibit the Potential of the enzyme in studying anticancer drugs. Treatment of the enzyme with group specific reagents showed the presence of carboxylate, Arg and Cys at the active site. Substrate protection studies and kinetics of the modified enzyme confirmed the above results. Trp and His at the active site were observed to be in proximity.

}, keywords = {active-site, alpha-Mannosidase, Chemical modification, Glycosidase inhibitors, metal ions}, issn = {0973-6263}, author = {Shashidhara, K. S. and Gaikwad, S. M. and Khan, Mohammad Islam and Bharadwaj, Kishor Chandra and Pandey, G.} } @article { ISI:000264897200035, title = {Interfacial and physico-chemical properties of polymer-supported CdS center dot ZnS nanocomposites and their role in the visible-light mediated photocatalytic splitting of water}, journal = {Journal of Colloid and Interface Science}, volume = {333}, number = {1}, year = {2009}, month = {MAY}, pages = {263-268}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Nano-composite CdS center dot ZnS moieties coated over polyester strip were found to exhibit better visible-light-mediated photo-activity for splitting of water, as compared to corresponding pure CdS or ZnS containing coupons. This increase in activity depended upon the mol ratio of the two component sulphides in a particular sample. HRTEM experiments revealed the presence of 1-3 nm size CdS particles embedded over larger size ZnS clusters, the composite samples thus functioning as a highly dispersed guest-host system. In the case of CdS and ZnS dispersed individually over polyester, average crystallite size was found to be around 5 and 15 rim, respectively. A blue shift was observed in the UV-vis absorption spectrum of US oil addition of ZnS, in conformation with the quantum size effects. Powder XRD, electron diffraction and XPS Studies showed that the nanocomposites were comprised of the face-centered cubic (alpha) phases of both US and ZnS in a close contact with each other. At the same time, certain solid solution phases, i.e. Cd(1-x)Zn(x)S. were generated at the interfaces of these two semiconductors. Our Study demonstrates that the increase in the number of reaction sites due to smaller size of US particles and the micro-structural properties associated with the nanostructured US or CdS/ZnS interfaces may together play a vital role in the augmented catalytic activity of CdS center dot ZnS composite photocatalysts. (c) 2009 Elsevier Inc. All rights reserved.

}, keywords = {CdS center dot ZnS nanocomposites, Photocatalytic activity, Role of microstructural properties, Splitting of water}, issn = {0021-9797}, doi = {10.1016/j.jcis.2009.01.037}, author = {Deshpande, Aparna and Shah, Pallavi and Gholap, Ramkrishna S. and Gupta, Narendra M.} } @article { ISI:000266411800024, title = {Isostructural molecular strings linked via conserved dipolar (ether) O center dot center dot center dot C=O short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters}, journal = {CrystEngComm}, volume = {11}, number = {6}, year = {2009}, month = {JAN}, pages = {1022-1029}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Conformational dimorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoformate and its orthoacetate analogue were characterized using single crystal X-ray diffraction, thermal analysis and hot-stage microscopy techniques. In these polymorphs, the tosyl group adopted different conformations due to the rotation about the O-S bond. A significant variation in the torsion angle for the tosyl group (similar to 56 degrees) was observed for Form II crystal of the orthoformate derivative, which exhibited an intramolecular dipolar S=O center dot center dot center dot C=O (sulfonyl-carbonyl) short contact. An interesting feature in all conformational polymorphs is the formation of an isostructural string (despite the differences in the orientation of the tosyl group) linked via dipolar (ether) O center dot center dot center dot C=O contacts, which is further stitched by other weak interactions to form different layers in their crystal lattice.

}, issn = {1466-8033}, doi = {10.1039/b818888b}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000262582400008, title = {Kinetic evidence for the influence of subsurface oxygen on palladium surfaces towards CO oxidation at high temperatures}, journal = {Chemistry-an Asian Journal}, volume = {4}, number = {1}, year = {2009}, month = {OCT}, pages = {74-80}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Transient state kinetics of the catalytic oxidation of CO with 0, on Pd-surfaces has been measured under isothermal conditions by using a molecular beam approach. Systematic studies were carried out as a function of reaction temperature and CO+O(2) composition. With sufficient kinetic evidence, we have demonstrated the positive influence of subsurface oxygen towards CO-adsorption and oxidation to CO, at high temperatures (600-900 K) on Pd-surfaces, and the likely electronic nature of the surface changes with oxygen in the subsurface. These studies also provide a direct proof for CO-adsorption with a significantly reactive sticking coefficient at high temperatures on Pd-surfaces exhibiting a significant subsurface O-coverage.

}, keywords = {Adsorption, kinetics, Oxidation, Palladium, surface analysis}, issn = {1861-4728}, doi = {10.1002/asia.200800278}, author = {Gopinath, Chinnakonda S. and Thirunavukkarasu, Kandasamy and Nagarajan, Sankaranarayanan} } @article { ISI:000266263000034, title = {Liquid phase oxidation of p-cresol over cobalt saponite}, journal = {Topics in Catalysis}, volume = {52}, number = {6-7}, year = {2009}, month = {JUN}, pages = {784-788}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Liquid phase oxidation of p-cresol was carried out over a Co-saponite catalyst in a temperature and pressure range of 333-393 K and 20-827 kPa, respectively in n-propanol. Co-saponites with varying cobalt content (5-30\%) were prepared and screened among which 13\% Co-saponite gave the highest conversion of 92\% of p-cresol with 92\% selectivity to p-hydroxybenzaldehyde without formation of any non-oxidation products.

}, keywords = {Co-saponite, Liquid phase oxidation, p-Cresol, p-Hydroxybenzaldehyde, XPS}, issn = {1022-5528}, doi = {10.1007/s11244-009-9199-z}, author = {Kshirsagar, Vikas S. and Garade, Ajit C. and Patil, Kashinath R. and Shirai, Masayuki and Rode, Chandrashekhar V.} } @article { ISI:000272896300048, title = {Magnetic phase transition in valence tautomers as polymorphs of 3-iodolawsone: Single crystal X-ray structure, DSC and EPR studies}, journal = {Journal of Molecular Structure}, volume = {938}, number = {1-3}, year = {2009}, month = {DEC}, pages = {328-335}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Three polymorphs of 3-iodolawsone (I-III) have been isolated and characterized by single crystal X-ray diffraction, electron paramagnetic resonance (EPR) spectroscopy and differential scanning calorimetry (DSC) techniques. Polymorphs I and II were crystallized from methanol in two different valence tautomeric forms: hydroxynaphthoquinone (HNQ) and hydroxynaphthoseimquinone (HNSQ) as needles and thick plates, respectively. Polymorph III was crystallized from ethanol in HNQ form, as thin plates Chiral crystals of I belongs to the orthorhombic P2(1)2(1)2(1) space group: II and III belong to the monochnic non-centrosymmetric space group Cc. The molecules are packed via O-H O bonding and pi . pi stacking interactions. The study reveals that relatively stronger intermolecular H-bonding (2.02 angstrom) and most favoured pi . pi stacking (similar to 3 49 angstrom) interactions lead II to HNSQ radicals, presence of which was confirmed by EPR (g = 2.0052) spectroscopy. Interestingly, these materials exhibit crystal-to-crystal magnetic phase transition from polymorph I (diamagnetic) to polymorph II (paramagnetic structure) at 171.1 degrees C as identified by DSC and X-ray crystallographic studies (C) 2009 Elsevier B.V. All rights reserved

}, keywords = {3-Iodolawsone, Hydroxynaphthoquinone (HNQ), Hydroxynaphthosemiquinone radical (HNSQ), Magnetic phase transition, Polymorphs, Valence tautomers}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2009.10.005}, author = {Zaware, Santosh B. and Dagade-Waghmode, Shobha and Gonnade, Rajesh G. and Srinivas, Darbha and Rane, Sandhya Y.} } @article { ISI:000263397900005, title = {Manipulation of magnetic nanostructures through low temperature metal-oxygen chemistry: Co/CoO exchange biased nanodonuts and Co nanotips}, journal = {Solid State Communications}, volume = {149}, number = {7-8}, year = {2009}, month = {FEB}, pages = {277-280}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Dense nanodonut and nanotip type morphologies are shown to self-evolve in Ultrathin cobalt films during growth under Vacuum, depending oil the level of oxygen incorporation and temperature. The nanodonut morphology forms at room temperature and the corresponding magnetic hysteresis shows exchange bias (similar to 35 Oe shift along the field axis), which is attributed to the presence of CoO and its exchange Coupling with cobalt. The morphology evolves into nanotip features with increase of growth temperature, with Concurrent elimination of the oxide component and exchange bias. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Co/CoO, Magnetic film, self assembly, Vacuum evaporation}, issn = {0038-1098}, doi = {10.1016/j.ssc.2008.12.019}, author = {Phase, Deodatta and Choudhary, Ram Janay and Ganesan, V. and Reddy, V. Raghvendra and Gupta, Ajay and Selvi, N. and Kulkarni, Sneha and Ogale, Satishchandra} } @article { ISI:000268376100057, title = {Mannitol production from glycerol by resting cells of Candida magnoliae}, journal = {Bioresource Technology}, volume = {100}, number = {20}, year = {2009}, month = {OCT}, pages = {4911-4913}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Production of mannitol from glycerol by resting cells of Candida magnoliae under aerobic condition was investigated. The resting cells were Suspended in aqueous Solution of glycerol in Erlenmeyer flasks and incubated on rotary shaker. The samples were analyzed by ion exclusion-HPLC equipped with refractive index and UV detector. The resting cells of C. magnoliae produced mannitol from fructose, Sucrose and glycerol but not from glucose. Addition of yeast extract and/or potassium phosphate to the glycerol solution adversely affected its conversion to mannitol. The conversion of glycerol to mannitol was dependent on oxygen availability. Using testing cells, the yield of mannitol was as high as 45\%. This is probably the first report of conversion of glycerol to mannitol by osmophilic yeast. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Candida magnoliae, Glycerol, Mannitol production, Resting cells}, issn = {0960-8524}, doi = {10.1016/j.biortech.2009.04.048}, author = {Khan, Asiya and Bhide, Amey J. and Gadre, Ramchandra V.} } @article { ISI:000266093800005, title = {MgCl2 center dot 4(CH3)(2)CHOH: a new molecular adduct and super active polymerization catalyst support}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {20}, year = {2009}, month = {MAY}, pages = {8556-8559}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new molecular adduct, MgCl(2 center dot)4(CH3)(2)CHOH, has been synthesized and characterized for structural aspects and demonstrated for super active ethylene polymerization activity with TiCl4 to ultrahigh molecular weight polyethylene in high yield.

}, issn = {1932-7447}, doi = {10.1021/jp9026546}, author = {Thushara, K. S. and Mathew, Renny and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Bhaduri, Sumit and Gopinath, Chinnakonda S.} } @article { ISI:000269059100008, title = {Molecular mapping of wilt resistance genes in chickpea}, journal = {Molecular Breeding}, volume = {24}, number = {2}, year = {2009}, month = {SEP}, pages = {177-183}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Fusarium wilt is a widespread and serious chickpea disease caused by the soil-borne fungus Fusarium oxysporum f.sp. ciceri (Foc). We evaluated an F(9) recombinant inbred line population of chickpea for resistance to three Foc races (1, 2 and 3) in pot culture experiments and identified flanking and tightly linked DNA markers for the resistance genes. The simple sequence repeat markers H3A12 and TA110 flanked the Foc1 locus at 3.9 and 2.1 cM, respectively, while Foc2 was mapped 0.2 cM from TA96 and 2.7 cM from H3A12. The H1B06y and TA194 markers flanked the Foc3 locus at 0.2 and 0.7 cM, respectively. These markers were also validated using 16 diverse chickpea genotypes. Identification of tightly linked flanking markers for wilt resistance genes will be useful for their exploitation in breeding programs and to understand the mechanism of resistance and evolution of the genes.

}, keywords = {fusarium oxysporum, Fusarium wilt, Genetic mapping, Marker validation, Pathogen races}, issn = {1380-3743}, doi = {10.1007/s11032-009-9282-y}, author = {Gowda, S. J. M. and Radhika, P. and Kadoo, Narendra Y. and Mhase, L. B. and Gupta, V. S.} } @article { ISI:000262658000018, title = {Montmorillonite for selective hydroxyalkylation of p-cresol}, journal = {Applied Clay Science}, volume = {43}, number = {1}, year = {2009}, month = {JAN}, pages = {113-117}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Performances of montmorillonite titanium silicate (TS-1) and dodecatungstophosphoric acid (DTP) were compared for the hydroxyalkylation of p-cresol into dihydroxydiarylmethane (DAM). Ammonia TPD studies of various catalysts showed that an appropriate combination of both strong and weak acid sites of montmorillonite was mainly responsible rather than only the stronger acidity of bulk DTP for its highest catalytic activity for selective hydroxyalkylation of p-cresol to DAM. The selectivity to DAM could be enhanced by adjusting reaction conditions like mole ratio of p-cresol to formaldehyde, reaction temperature, catalyst concentration, solvent and reaction time. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Ammonia TPD, Dihydroxydiarylmethane, Hydroxyalkylation, Montmorillonite, Solid acids}, issn = {0169-1317}, doi = {10.1016/j.clay.2008.07.015}, author = {Garade, Ajit C. and Mate, Vivek R. and Rode, C. V.} } @article { ISI:000271819300006, title = {Natural yeast flora of different varieties of grapes used for wine making in India}, journal = {Food Microbiology}, volume = {26}, number = {8}, year = {2009}, month = {DEC}, pages = {801-808}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

The natural Saccharomyces and non-Saccharomyces yeast flora present on the grape berries significantly affect wine production. Six grape varieties, Bangalore blue, Zinfandel, Cabernet, Chenin Blanc, Sauvignon Blanc and Shiraz are being used in India for wine making. The yeast diversity was studied on the basis of morphological, colony, physiological characteristics and 5.8S-ITS sequencing of rDNA of the isolates. Eleven different species belonging to seven genera were identified as: Candida azyma, Candida quercitrusa, Debaryomyces hansenii, Hanseniaspora guilliermondii, Hanseniaspora viniae, Hanseniaspora uvarum. Issatchenkia orientalis, Issatchenkia terricola, Pichia membranifaciens, Saccharomyces cerevisiae and Zygoascus steatolyticus. H. guilliermondii was the predominant species while S. cerevisiae was observed occasionally in the six vine varieties. For the first time, C. azyma was isolated from Bangalore blue and Cabernet varieties grown in different localities. This association may be attributed to the change in cropping pattern from sugarcane to viticulture in the vine growing regions and the known association of C. azyma with sugarcane phylloplane. Further analysis of the indigenous strains and the qualitative and quantitative changes in the flora during fermentation will be useful to understand wine quality and to design preservation strategies to control wine spoilage. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {5.8S-ITS sequence, Identification, Physiological, Wine yeasts}, issn = {0740-0020}, doi = {10.1016/j.fm.2009.05.005}, author = {Chavan, Pradnya and Mane, Sarika and Kulkarni, Girish and Shaikh, Shamim and Ghormade, Vandana and Nerkar, Devidas P. and Shouche, Yogesh and Deshpande, Mukund V.} } @article {42457, title = {N-heterocyclic carbene-catalyzed hydroacylation of unactivated double bonds}, journal = {Journal of the American Chemical Society}, volume = {131}, year = {2009}, month = {SEP}, pages = {14190{\textendash}14191}, abstract = {

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

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

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

}, issn = {1932-7447}, doi = {10.1021/jp902017c}, author = {Nagarajan, Sankaranarayanan and Thirunavukkarasu, Kandasamy and Gopinath, Chinnakonda S. and Counsell, Jonathan and Gilbert, Lee and Bowker, Michael} } @article { ISI:000263423600001, title = {Novel allylic phosphonium salts in free radical accelerated cationic polymerization}, journal = {Polymer Bulletin}, volume = {62}, number = {3}, year = {2009}, month = {MAR}, pages = {271-280}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

In the present study, the synthesis and evaluation of novel allylic phosphonium salts as addition fragmentation agents in combination of conventional (photo-/thermal) free radical source for cationic polymerization are described. The amide based allylic phosphonium salts, namely 2-(N, N-dimethylcaboxy-propenyl) triphenylphosphonium hexafluoroantimonate (DMTPH) and 2-(morpholinocarboxy-propenyl) triphenyl phosphonium hexafluoroantimonate (MTPH) were synthesized and characterized. The thermal and photo-latency of these salts was examined with and without free radical sources in bulk polymerization of cyclohexene oxide (CHO) salts at 70 A degrees C and lambda \> 290 nm irradiation, respectively. In presence of thermal free radical source, the order of activity was observed as PAT \> BPO \> AIBN. The order of activity of free radical sources on photopolymerization was found to be benzoin \> benzophenone \> TMDPO. In addition, photopolymerization of other cationically polymerizable monomers (such as n-butyl vinyl ether, isobutyl vinyl ether, N-vinyl carbazole and glycidyl phenyl ether) was also examined at lambda \> 290 nm irradiation. It is concluded that the rate of cationic polymerization can be accelerated using novel phosphonium salts with combination of free radical sources, by both thermal and photochemical mode.

}, keywords = {Addition fragmentation agent, Cationic polymerization, Initiator, phosphonium salt, Photopolymerization}, issn = {0170-0839}, doi = {10.1007/s00289-008-0014-y}, author = {Gupta, Mukesh Kumar and Singh, Raj Pal} } @article { ISI:000265422100069, title = {Novel dibenzocycloheptenyl phosphonium salts as thermolatent initiator in cationic polymerization}, journal = {Journal of Applied Polymer Science}, volume = {112}, number = {6}, year = {2009}, month = {JUN}, pages = {3707-3713}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

In this study, novel thermolatent cationic initiators based on dibenzocycloheptenyl phosphonium salts (1a, 1b, 1c, 1d, 2a, and 3a) were synthesized and their efficiency was examined in bulk polymerization of glycidyl phenyl ether (GPE). The polymerization of GPE was performed with 1 mol \% of dibenzocycloheptenyl triphenylphosphonium salts (1a-1d) with different counter anions (SbF(6)(-), PF(6)(-), AsF(6)(-), and BF(4)(-)) at 25-200 degrees C for 1 h. The order of initiator activity was found as 1a \> 1d \> 1b \> 1c. To examine the effect of phosphine moiety, the activity of la was compared with dibenzocycloheptenyl-tri-n-butylphosphonium hexafluoroantimonate (2a). The order of initiator activity was observed as 1a \> 2a. The initiator activity of la was compared with that of 10,11-dihydro-dibenzocycloheptenyltriphenylphosphonium hexafluoroantimonate (3a) to understand the effect of extended conjugation in dibenzocycloheptenyl ring. In general, with the increase in the polymerization temperature, conversion (\%) also increases. The solubility of initiators in various solvents and epoxy monomers was also examined. (C) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 112: 3707-3713, 2009

}, keywords = {Cationic polymerization, glycidyl phenyl ether, initiators, phosphonium salt, thermolatent}, issn = {0021-8995}, doi = {10.1002/app.29518}, author = {Gupta, Mukesh Kumar and Singh, Raj Pal} } @article { ISI:000263073800056, title = {N,S-Co-doped TiO2 Nanophotocatalyst: synthesis, electronic structure and photocatalysis}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {1, SI}, year = {2009}, month = {JAN}, pages = {423-432}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

N,S-co-doped anatase-phase TiO2 (N,S-TiO2) nanophotocatalysts were prepared from either benzothiazoline or aminothiol with titanium isopropoxide followed by a systematic thermal decomposition. The chemical nature of S and N in N,S-TiO2 have been identified by XPS to be sulfate and NO-like, respectively. A significant band broadening and red-shift in the UV-visible absorption spectrum of N,S-TiO2 suggests a band gap reduction compared to TiO2. A maximum band-gap narrowing of 0.22 +/- 0.02 eV was observed on N,S-TiO2. Higher energy width observed on N,S-TiO2 is in contrast to 0.13 eV from N-doped TiO2 indicating the sulfate-like species might play a major role in narrowing the band-gap to a Higher level. It is confirmed that the oxidation of N and S to NO and SO42- occurs in the final stage of preparation of N,S-TiO2, during calcination in air. It is predicted that the oxygen associated with sulfate and NO structural features could be crucial in bringing down the energy gap and red shift in optical absorption and the role of sulfur is to facilitate the above. Photocatalytic decomposition of methylene blue has been carried out on N,S-TiO2 shows higher activity than the commercial TiO2 in the visible region. However, sulfate species seems to enhance the activity of N,S-TiO2 marginally compared to N-TiO2, and possible suggestions are given to improve the same.

}, keywords = {nitrogen, Photocatalyst, Sulfur, TiO2, Visible Light Absorption}, issn = {1533-4880}, doi = {10.1166/jnn.2009.J095}, author = {Sathish, M. and Viswanath, R. P. and Gopinath, Chinnakonda S.} } @article { ISI:000270126100012, title = {Organocatalytic enantioselective synthesis of beta-blockers: (S)-propranolol and (S)-naftopidil}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {15}, year = {2009}, month = {AUG}, pages = {1767-1770}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantioselective synthesis of beta-adrenergic blockers (S)-propranolol and (S)-naftopidil with \> 98\% ee using an L-proline-catalyzed alpha-aminoxylation of an aldehyde as a key step is described. (c) 2009 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.07.002}, author = {Panchgalle, Sharad P. and Gore, Rohitkumar G. and Chavan, Subhash P. and Kalkote, Uttam R.} } @article { ISI:000264627400028, title = {Pd(II)-mediated alkynediol spiroketalization: first total synthesis of (-)-cephalosporolide E and (+)-cephalosporolide F}, journal = {Journal of Organic Chemistry}, volume = {74}, number = {7}, year = {2009}, month = {APR}, pages = {2842-2845}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Herein we describe a concise assembly of the central 1.6-dioxaspiro[4.4]nonane core of cephalosporolides E/F by employing a Pd-mediated alkynediol cycloisomerization and their total synthesis. On the basis of spectroscopic data and optical rotation values, the absolute configurations of cephalosporolides E/F were proposed.

}, issn = {0022-3263}, doi = {10.1021/jo802539z}, author = {Ramana, C. V. and Suryawanshi, Sharad B. and Gonnade, Rajesh G.} } @article { ISI:000264437500025, title = {Photocatalytic mineralization of benzene over gold containing titania nanotubes: role of adsorbed water and nanosize gold crystallites}, journal = {Catalysis Today}, volume = {141}, number = {1-2}, year = {2009}, note = {18th National Symposium and Indo-US Seminar on Catalysis, Indian Inst Petroleum, Dehradun, INDIA, APR 16-18, 2007}, month = {MAR}, pages = {144-151}, publisher = {Catalysis Soc India; Petrotech Soc; Indo US Sci \& Technol Forum}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Well aligned titania nanotubes, with surface area of similar to 150 m(2) g(-1) and average pore diameter of similar to 5 nm, have been synthesized by subjecting a mesoporous TiO(2) sample to alkaline treatment followed by calcination at different temperatures. Composite catalysts with gold particles dispersed in these nanotubes were also synthesized and their structural, morphological, optical and photocatalytic properties were examined. The catalytic activity of TiO(2) for UV-mediated photo-oxidation of benzene was found to be affected by several factors, such as the sample texture. presence of adsorbed water and gold crystallites. The overall conversion of benzene to form CO(2) followed a trend: Au/nanotube \> TiO(2) nanotubes \> mesoporous TiO(2). In situ IR spectroscopy revealed that the adsorption and reaction of benzene molecules gave rise to formation of certain phenolic species over TiO(2), while the temperature-programmed desorption (TPD) study showed that the Au/TiO(2) interfaces serve as distinct sites for the adsorption and activation of oxygen molecules. It is suggested that certain hydroxyl and oxygen ion radicals produced under UV-irradiation may promote the deep oxidation of surface phenolic species and phenoxyl (ArO center dot) type transient radicals. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Benzene degradation, Gold containing, Photocatalyst, Role of adsorbed water, TiO(2) nanotubes, Transient species}, issn = {0920-5861}, doi = {10.1016/j.cattod.2008.04.008}, author = {Awate, S. V. and Sahu, R. K. and Kadgaonkar, Mahesh D. and Kumar, R. and Gupta, N. M.} } @article { ISI:000264647800005, title = {Physico-chemical, photo-catalytic and O-2-adsorption properties of TiO2 nanotubes coated with gold nanoparticles}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {203}, number = {1}, year = {2009}, month = {MAR}, pages = {24-31}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Gold-containing titania nanotubes (Au/NT) were found to display higher activity for photooxidation of acetaldehyde, as compared to corresponding gold-free nanotubes and also a Degussa P-25 catalyst. Besides CO2 as a major reaction product, small amounts of H-2, CH4, CO, H2O and CH3COOH were also formed, irrespective of the catalyst employed. High-resolution TEM examination showed that most of the gold particles in Au/NT were of 1.5-5 nm size, distributed both within and at outside surface of the nanotubes. Some larger size (10-70 run) clusters were also seen at the external surfaces, particularly in the samples calcined at an elevated temperature. The temperature-programmed desorption measurements revealed that, compared to P-25 TiO2, a significant entrapment of O-2 occurred at two distinct tubular sites of NT samples, corresponding activation energy of desorption (E,) being around 36 and 41 kcal mol(-1). On the other hand, gold nanoparticles in Au/NT served as independent low-energy (E-a = 26 kcal mol(-1)) sites for adsorption/activation of O-2. These adsorptive properties of TiO2 and Au were lost completely on calcination, thus revealing a crucial role played by the particle size. In situ IR spectroscopy results showed that room-temperature exposure to acetaldehyde + air gave rise to a molecularly bound state, i.e. CH3CHOad, over both NT and Au/NTsamples, which in turn transformed quickly to yield certain acetate (CH3COOad-) and formate (HCOOad-) type transient species with the involvement of the surface OH groups. The decomposition and oxidation of these surface species with the help of O-2(-), O-ad and hydroxyl ion radicals (OH-) formed at photo-excited Au/NT interfaces led to the reaction products mentioned above. We conclude that, besides electron-hole charge separation, the adsorptive properties of host matrix and nanosize gold may together play a significant role in deciding the photo-catalytic properties of Au/TiO2. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Acetaldehyde oxidation, Gold co-catalyst, O-2-adsorption, Photo-catalytic activity, TiO2 nanotubes}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2008.12.013}, author = {Malwadkar, Sachin S. and Gholap, Ramkrishna S. and Awate, Shobhana V. and Korake, Prakash V. and Chaskar, Manohar G. and Gupta, Narendra M.} } @article { ISI:000259765600037, title = {Poly(o-anisidine) coatings on brass: synthesis, characterization and corrosion protection}, journal = {Current Applied Physics}, volume = {9}, number = {1}, year = {2009}, month = {JAN}, pages = {206-218}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Poly(o-anisidine) (POA) coatings were synthesized on brass by electrochemical polymerization of o-anisidine in aqueous salicylate solution by using cyclic voltammetry. These coatings were characterized by cyclic voltammetry, UV-visible absorption spectroscopy., Fourier transform infrared (FTIR) spectroscopy and scanning electron microscopy (SEM). The corrosion protection aspects of POA coatings on brass in aqueous 3\% NaCl solution were investigated by potentiodynamic polarization technique and electrochemical impedance spectroscopy (EIS). The potentiodynamic polarization measurements show that the POA coating has ability to protect the brass against corrosion. The corrosion potential was about 0.204 V versus SCE more positive for the POA coated brass than that of uncoated brass and reduces the corrosion rate of brass almost by a factor of 800. The corrosion behavior of the POA coatings was also investigated by EIS through immersion tests performed In aqueous 3\% NaCl solution. The evolution of the impedance parameters with the immersion time was studied and the results Show that the POA acts as a protective coating on brass against corrosion in 3\% NaCl solution. The water uptake and delamination area were also determined to further support the corrosion protection performance of the POA coating. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {brass, conducting polymers, Corrosion resistant coatings, cyclic voltammetry, Electrochemical impedance spectroscopy, Electrochemical polymerization, poly(o-anisidine)}, issn = {1567-1739}, doi = {10.1016/j.cap.2008.01.012}, author = {Chaudhari, Sudeshna and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000272122000010, title = {Polypropylene-organoclay nanocomposites containing nucleating agents}, journal = {Polymer Bulletin}, volume = {63}, number = {6}, year = {2009}, month = {DEC}, pages = {897-909}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Polypropylene/organoclay nanocomposites containing nucleating agents, viz., aluminum hydroxybis[2,2-methylenebis(4,6-di-tert-butylphenyl) phosphate (NA21) and 1,3:2,4-bis(3,4-dimethylbenzylidene)sorbitol (Millad 3988), were prepared by direct melt intercalation in a twin-screw extruder. Nucleating agents were added to polypropylene during compounding and their effect on the properties of the nanocomposites was studied. X-ray diffraction (XRD) and transmission electron microscopy (TEM) exhibited clay layers to be intercalated and partially exfoliated. The expansion of inter-gallery distance of the clay layers was governed by the interaction between polypropylene, compatibilizer, and different nucleating agents. Thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) indicated higher thermal stability and crystallization temperature for nanocomposites compared to virgin polymer. Even a small addition of the nanoscale filler with 0.2\% nucleating agents was found to promote concurrently several PP material properties, including improved tensile characteristics, higher Young{\textquoteright}s modulus, increased thermal stability and rate of crystallization.

}, keywords = {Nucleating agents, organoclay, Polypropylene nanocomposites, Thermogravimetric analysis, transmission electron microscopy}, issn = {0170-0839}, doi = {10.1007/s00289-009-0184-2}, author = {Ghugare, S. V. and Govindaiah, P. and Avadhani, C. V.} } @article { ISI:000263008600003, title = {Prediction of extrudate swell in polymer melt extrusion using an Arbitrary Lagrangian Eulerian (ALE) based finite element method}, journal = {Journal of Non-Newtonian Fluid Mechanics}, volume = {156}, number = {1-2}, year = {2009}, month = {JAN}, pages = {21-28}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Accurate prediction of extrudate (die) swell in polymer melt extrusion is important as this helps in appropriate die design for profile extrusion applications. Extrudate swell prediction has shown significant difficulties due to two key reasons. The first is the appropriate representation of the constitutive behavior of the polymer melt. The second is regarding the simulation of the free surface, which requires special techniques in the traditionally used Eulerian framework. In this paper we propose a method for simulation of extrudate swell 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 besides allowing for natural evolution of the free surface with the flow. In the second step, mesh is moved in ALE mode and the associated convection of the variables due to relative motion of the mesh is performed using a Godunov type scheme. While the mesh is fixed in space in the die region, the nodal points of the mesh on the extrudate free surface are allowed to move normal to flow direction with special rules to facilitate the simulation of swell. A differential exponential Phan Thien Tanner (PTT) model is used to represent the constitutive behavior of the melt. Using this method we simulate extrudate swell in planar and axisymmetric extrusion with abrupt contraction ahead of the die exit. This geometry allows the extrudate to have significant memory for shorter die lengths and acts as a good test for swell predictions. We demonstrate that our predictions of extrudate swell match well with reported experimental and numerical simulations. (c) 2008 Elsevier BY. All rights reserved.

}, keywords = {Arbitrary Lagrangian Eulerian, Extrudate (die) swell, Free surface simulations}, issn = {0377-0257}, doi = {10.1016/j.jnnfm.2008.06.006}, author = {Ganvir, Vivek and Lele, Ashish K. and Thaokar, Rochish and Gautham, Basavarsu P.} } @article { ISI:000264434000020, title = {Preparation and nonisothermal crystallization behavior of polypropylene/layered double hydroxide nanocomposites}, journal = {Polymer}, volume = {50}, number = {6}, year = {2009}, month = {MAR}, pages = {1505-1515}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Polypropylene (PP)/layered double hydroxide (LDH) nanocomposites were prepared via melt intercalation using dodecyl sulfate anion modified LDH and maleated PP as compatibilizing agent. Evidently the interlayer anions in LDH galleries react with maleic anhydride groups of PP-g-MA and lead to a finer dispersion of individual LDH layers in the PP matrix. The nanostructure was characterized by XRD and TEM; the examinations confirmed the nanocomposite formation with exfoliated/intercalated layered double hydroxides well distributed in the PP matrix. The nonisothermal crystallization behavior of resulting nanocomposites was extensively studied using differential scanning calorimetry (DSC) technique at various cooling rates. In nonisothermal crystallization kinetics, the Ozawa approach failed to describe the crystallization behavior of nanocomposites, whereas the Avrami analysis and Jeziorny method well define the crystallization behavior of PP/LDH nanocomposite. Combined Avrami and Ozawa analysis (Liu model) also found useful. The results revealed that very small amounts of LDH (1\%) could accelerate the crystallization process relative to the pure PP and increase in the crystallization rates was attributed to the nucleating effect of the nanoparticles. Polarized optical microscopy (POM) observations also support the DSC results. The effective crystallization activation energy was estimated as a function of the relative degree of crystallinity using the isoconversional analysis. Overall, results indicated that the LDH particles in nanometer size might act as nucleating agent and distinctly change the type of nucleation, growth and geometry of PP crystals. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Layered double hydroxide, Nonisothermal crystallization kinetics, Polypropylene nanocomposites}, issn = {0032-3861}, doi = {10.1016/j.polymer.2009.01.031}, author = {Lonkar, Sunil P. and Morlat-Therias, Sandrine and Caperaa, N. and Leroux, Fabrice and Gardette, Jean Luc and Singh, R. P.} } @article { ISI:000261569100072, title = {Purification and characterization of acidic lipase from aspergillus niger NCIM 1207}, journal = {Bioresource Technology}, volume = {100}, number = {3}, year = {2009}, month = {FEB}, pages = {1486-1490}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

An extracellular lipase from Aspergillus niger NCIM 1207 has been purified to homogeneity using ammonium sulfate precipitation followed by phenyl sepharose and Sephacryl-100 gel chromatography. This protocol resulted in 149 fold purification with 54\% final recovery. The purified enzyme showed a prominent single band on SDS-PAGE. The purified enzyme is a monomeric protein of 32.2 kDa molecular weight and exhibits optimal activity at 50 degrees C. One interesting feature of this enzyme is its highly acidic pH optimum. The isoelectric point (pl) of lipase was 8.5. The purified lipase appears to be unique since it cleaved triolein at only 3-position releasing 1,2-diolein. Chemical modification studies revealed that His, Ser, Carboxylate and Trp are involved in catalysis. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Acidic lipase, Aspergillus niger, Positional specificity}, issn = {0960-8524}, doi = {10.1016/j.biortech.2008.08.016}, author = {Mhetras, Nutan and Bastawade, Kulbhushan B. and Gokhale, D. V.} } @article { ISI:000268401300001, title = {Responses of midgut amylases of Helicoverpa armigera to feeding on various host plants}, journal = {Journal of Insect Physiology}, volume = {55}, number = {8}, year = {2009}, month = {AUG}, pages = {663-670}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Midgut digestive amylases and proteinases of Helicoverpa armigera, a polyphagous and devastating insect pest of economic importance have been studied. We also identified the potential of a sorghum amylase inhibitor against H. armigera midgut amylase. Amylase activities were detected in all the larval instars, pupae, moths and eggs; early instars had lower amylase levels which steadily increased up to the sixth larval instar. Qualitative and quantitative differences in midgut amylases of H. amigera upon feeding on natural and artificial diets were evident. Natural diets were categorized as one or more members of legumes, vegetables, flowers and cereals belonging to different plant families. Amylase activity and isoform patterns varied depending on host plant and/or artificial diet. Artificial diet-fed H. armigera larvae had comparatively high amylase activity and several unique amylase isoforms. Correlation of amylase and proteinase activities of H. armigera with the protein and carbohydrate content of various diets suggested that H. armigera regulates the levels of these digestive enzymes in response to macromolecular composition of the diet. These adjustments in the digestive enzymes of H. armigera may be to obtain better nourishment from the diet and avoid toxicity due to nutritional imbalance. H. armigera, a generalist feeder experiences a great degree of nutritional heterogeneity in its diet. An investigation of the differences in enzyme levels in response to macronutrient balance and imbalance highlight their importance in insect nutrition. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Amylase inhibitors, Diet, Helicoverpa armigera larvae, Midgut amylase, Proteinases}, issn = {0022-1910}, doi = {10.1016/j.jinsphys.2009.05.004}, author = {Kotkar, Hemlata M. and Sarate, Priya J. and Tamhane, Vaijayanti A. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000265529700071, title = {Revisit to carbon monoxide oxidation on Pd(111) surfaces}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {17}, year = {2009}, month = {APR}, pages = {7385-7397}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Carbon monoxide (CO) oxidation on Pd(111) surfaces has been studied by molecular beam methods with mixed molecular beams (CO + O(2)) between 400 and 900 K and a CO:O(2) ratio of 7:1 to 1:10. A new aspect of the above reaction observed in the transient kinetics regime is the evidence for oxygen diffusion into Pd(111) subsurface layers and its significant influence toward CO oxidation at high temperatures (\>= 600 K). An overall influence of subsurface oxygen on the kinetics of the CO oxidation reaction is addressed. Interesting information derived from the above studies is the necessity to fill up the subsurface layers with oxygen atoms to a threshold coverage (theta(Osub)), above which the reactive CO adsorption occurs on the surface with subsequent CO(2) production. The above observation Was demonstrated with CO-rich reactant compositions (CO + O(2)) above 600 K via instant oxygen adsorption on Pd surfaces; however, onset of CO adsorption as well as CO(2) production occurs after a time delay. theta(Osub) and the time delay in CO adsorption (and CO(2) production) increase with increasing temperature and with CO-rich compositions. theta(Osub) was measured up to 0.3 monlayer (ML) between 500 and 850 K before the onset of CO adsorption; however, theta(Osub) increases from an insignificant value at \<500 K to 0.4 ML at 900 K with a pure O(2) beam. Onset of CO adsorption with a significant sticking coefficient on the Pd surfaces, that is, covered with significant subsurface oxygen, underscores a change in the electronic state of Pd surfaces toward mildly oxidized (or Pd(delta+)), and an electronic decoupling occurs between the bulk and the surface. The jellium model is invoked to demonstrate the changes observed. A similar observation with polycrystalline Pd surfaces suggests the defect sites is one of the channels for oxygen diffusion into subsurfaces. Initial sticking coefficient (s(0)) measurements demonstrate that there is no significant competition between CO and O(2) adsorption from the CO + O(2) mixture between 400 and 600 K, and indeed they are largely independent of each other. The maximum steady-state CO(2) formation rate was observed for a 1:1 CO/O(2) beam composition between 500 and 550 K. However, with a significant theta(Osub) the rate of CO(2) Production in the steady state is considerable even at high temperatures (700-850 K), and a broadening of the active CO oxidation regime to high temperature is observed with O(2)-rich compositions.

}, issn = {1932-7447}, doi = {10.1021/jp900890w}, author = {Nagarajan, Sankaranarayanan and Thirunavukkarasu, Kandasamy and Gopinath, Chinnakonda S.} } @article { ISI:000271538700006, title = {Rhodotorula aurantiaca penicillin V acylase: active site characterization and fluorometric studies}, journal = {Journal of Photochemistry and Photobiology B-Biology}, volume = {97}, number = {2}, year = {2009}, month = {NOV}, pages = {109-116}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Penicillin V acylase (PVA), a member of newly evolved Ntn-hydrolase superfamily, is a pharmaceutically important enzyme to produce 6-aminopenicillanic acid. Active site characterization of recently purified monomeric PVA from Rhodotorula aurantiaca (Ra-PVA), the yeast source, showed the involvement of serine and tryptophan in the enzyme activity. Modification of the protein with serine and tryptophan specific reagents such as PMSF and NBS showed partial loss of PVA activity and substrate protection. Ra-PVA was found to be a multi-tryptophan protein exhibiting one tryptophan, in native and, four in its denatured condition. Various solute quenchers and substrate were used to probe the microenvironment of the putative reactive tryptophan through fluorescence quenching. The results obtained indicate that the tryptophan residues of Ra-PVA were largely buried in hydrophobic core of the protein matrix. Quenching of the fluorescence by acrylamide was collisional. Acrylamide was the most effective quencher amongst all the used quenchers, which quenched 71.6\% of the total intrinsic fluorescence of the protein, at a very less final concentration of 0.1 M. Surface tryptophan residues were found to have predominantly more electropositively charged amino acids around them, however differentially accessible for ionic quenchers. Denaturation led to shift lambda(max) from 336, in native state, to 357 nm and more exposed to the solvent, consequently increase in fluorescence quenching with all quenchers. This is an attempt towards the conformational studies of Ra-PVA. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {active site residues, Fluorometric studies, Penicillin V acylase, Rhodotorula aurantiaca}, issn = {1011-1344}, author = {Kumar, Atul and Gowda, Nagaraj M. and Gaikwad, Sushama M. and Pundle, Archana} } @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: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: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: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: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: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: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: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: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: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: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: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 {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: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: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: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: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: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:000263073800048, title = {Template free synthesis of mesoporous TiO2 with high wall thickness and nanocrystalline framework}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {1, SI}, year = {2009}, month = {JAN}, pages = {371-377}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

A simple procedure to prepare nanocrystalline mesoporous titania (meso-TiO2) is reported without any templating agent and it possesses a high BET surface area and a large pore wall thickness (11.3 nm) than that of meso-TiO2 prepared by other methods. Nanocrystalline meso-TiO2 also has been synthesized with hexadecylamine template for comparison through known procedure. The meso-TiO2 materials were characterized by X-ray diffraction, FT-IR, UV-Vis absorbance spectra, thermal analysis, SEM, HRTEM and textural properties through N-2 adsorption-desorption isotherms. Spherical shape particles in a range of few hundred nanometers are obtained in the template free method. Above systematic characterization provides direct indications toward the mechanism of formation of meso-TiO2 in the template free method. A comparison of the physical and textural properties indicates a possibility of coarse-tuning of the textural characteristics of mesoporous TiO2 by adopting different preparation methods.

}, keywords = {Mesopore, Mesopore Formation, Template-Free, Thick Wall, titania}, issn = {1533-4880}, doi = {10.1166/jnn.2009.J019}, author = {Kulkarni, Dhanashree G. and Murugan, A. Vadivel and Viswanath, Annamraju Kasi and Gopinath, Chinnakonda S.} } @article { ISI:000265996200003, title = {Thermally induced cationic polymerization of glycidyl phenyl ether using novel xanthenyl phosphonium salts}, journal = {Macromolecular Research}, volume = {17}, number = {4}, year = {2009}, month = {APR}, pages = {221-226}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The present study firstly describes the synthesis of novel, thermo-latent initiators based on xanthenyl phosphonium salts with different counter anions and phosphine moieties and secondly examines their efficiency in the bulk polymerization of glycidyl phenyl ether (GPE). The polymerization was performed with phosphonium salt initiators (I(SbF6), I(PF6), I(AsF6) and I(BF4)) at ambient temperature to 200 degrees C for 1 h. The order of initiator activity was I(SbF6) \> I(PF6) \> I(AsF6) \> I(BF4). To examine the effect of the phosphine moiety on the initiator activity, polymerization was carried out with I(SbF6) (Ph(3)P) and II(SbF6) (Bu(3)P) at ambient temperature to 170 degrees C for 1 h. The order of reactivity was I(SbF6) \> II(SbF6). In general, the conversion percentage increased with increasing polymerization temperature. The thermal stability of these salts was measured by then-no gravimetric analysis (TGA). The solubility of phosphonium salts in various organic solvents and epoxy monomers was also investigated.

}, keywords = {Cationic polymerization, glycidyl phenyl ether, phosphonium salts, thermo-latent}, issn = {1598-5032}, author = {Gupta, Mukesh Kumar and Singh, Raj Pal} } @article { ISI:000265052800004, title = {Total synthesis of verbalactone: an efficient, carbohydrate-based approach}, journal = {Tetrahedron Letters}, volume = {50}, number = {18}, year = {2009}, month = {MAY}, pages = {2048-2049}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A carbohydrate-based strategy for the total synthesis of verbalactone has been described. (3R,5R)-3,5-dihydroxydecanoic acid was dimerised under Yamaguchi conditions to provide verbalactone in an overall yield of 17\% starting from 3-deoxy-1,2:5,6-di-O-isopropylidine-alpha-D-glucofuranose. (c) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Chiral pool approach, D-Glucose, verbalactone, Yamaguchi{\textquoteright}s macrolactonization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.02.062}, author = {Salunke, Ganesh B. and Shivakumar, I. and Gurjar, Mukund K.} } @article { ISI:000263071500026, title = {Two modes of O-H center dot center dot center dot O hydrogen bonding utilized in dimorphs of racemic 6-O-acryloyl-2-O-benzoyl-myo-inositol 1,3,5-orthoformate}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {65}, year = {2009}, month = {FEB}, pages = {O54-O57}, publisher = {WILEY-BLACKWELL PUBLISHING, INC}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The title compound, C(17)H(16)O(8), yields conformational dimorphs [forms (I) and (II)] at room temperature, separately or concomitantly, depending on the solvent of crystallization. The yield of crystals of form (I) is always much more than that of crystals of form (II). The molecule has one donor -OH group that can make intermolecular O-H center dot center dot center dot O hydrogen bonds with one of the two acceptor C O groups, as well as with the hydroxyl O atom; interestingly, each of the options is utilized separately in the dimorphs. The crystal structure of form (I) contains one molecule in the asymmetric unit and is organized as a planar sheet of centrosymmetric dimers via O H center dot center dot center dot O hydrogen bonds involving the OH group and the carbonyl O atom of the acryloyl group. In the crystal structure of form (II), which contains two independent molecules in the asymmetric unit, two different O-H center dot center dot center dot O hydrogen bonds, viz. hydroxyl-hydroxyl and hydroxyl-carbonyl (benzoyl), connect the molecules in a layered arrangement. Another notable feature is the transformation of form (II) to form (I) via melt crystallization upon heating to 411 K. The higher yield of form (I) during crystallization and the thermal transition of form (II) to form (I) suggest that the association in form (I) is more highly favoured than that in form (II), which is valuable in understanding the priorities of molecular aggregation during nucleation of various polymorphs.

}, issn = {0108-2701}, doi = {10.1107/S0108270109000225}, author = {Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000262781700012, title = {Ultrasound assisted synthesis of polyacrylic acid-nanoclay nanocomposite and its application in sonosorption studies of malachite green dye}, journal = {Ultrasonics Sonochemistry}, volume = {16}, number = {3}, year = {2009}, month = {MAR}, pages = {351-355}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Synthesis of nanoclay nanocomposite has been undertaken by using polyacryalic acid (PAA) in aqueous medium and ultrasound environment and its application in dye removal has been investigated. The synthesized product was characterized by using FTIR and XRD techniques. The sonosorption capacity of the product namely PAA-nanoclay composite was determined by choosing malachite green (MG) dye as a model pollutant. The effects of various parameters such as nanocomposite loading, pH, various process conditions etc. have been studied. On comparing the results obtained with that of nanoclay as an adsorbent, it was found for an initial concentration of 500 mg/l, the PAA-nanoclay nanocomposite exhibited higher percentage of pollutant removal (68\%) and for nanoclay it was 54\%. The adsorption data has been correlated using Langmuir and Freundlich models. The fit of the Freundlich isotherm model was found to be good in the entire range of concentration for the experimental sorption data obtained on the nanoclay nanocomposite. A plausible reaction mechanism for use of PAA-nanoclay nanocomposite as ail adsorbent is also proposed. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Malachite Green, Nanocomposite, Polyacrylic acid, Sonosorption, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2008.10.008}, author = {Sonawane, S. H. and Chaudhari, P. L. and Ghodke, S. A. and Parande, M. G. and Bhandari, Vinay M. and Mishra, Satyendra and Kulkarni, R. D.} } @article { ISI:000263021000003, title = {Vinyl-2-pyrrolidone derivatized guar gum based aqueous two-phase system}, journal = {Separation and Purification Technology}, volume = {65}, number = {1, SI}, year = {2009}, month = {FEB}, pages = {9-13}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Aqueous two-phase systems (ATPs) are formed when certain combinations of two polymers or polymer and salt are added to water. Phase separation occurs at certain specific concentrations that have similar densities and low interfacial tensions. The present study involves synthesis and application of a novel derivatized guar in aqueous two-phase system. The derivation of guar gum was performed by grafting of 1-vinyl-2-pyrrolidone by a redox reaction in aqueous medium ceric ammonium nitrate (CAN) and potassium Peroxydisulfate(K2S2O8). The ratio of grafting efficiency (\%GE) and ratio of grafting (\%G) was 56\% and 70.1\% respectively. The grafted copolymers were characterized for percent yield and FTIR absorbance. A new aqueous two-phase extraction protocol was established using a mixture of derivatized guar and dextran. A phase diagram was constructed based on the phase separation exhibited by the system at 25 degrees C. The partition coefficient was determined for standard bovine serum albumin (BSA), lactate oxidase (LO) and phytase. The partitioning coefficients were 0.479, 1.981, and 2.586 respectively in the Dextran (2 mill ion)/V-GG/H2O system. The influence of an ionic salt sodium chloride (NaCl) was investigated on the partitioning of BSA. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Aqueous two phase, graft copolymers, Guar gum, Partition coefficient (K), Phase diagram, Vinyl pyrrolidone, viscosity}, issn = {1383-5866}, doi = {10.1016/j.seppur.2008.03.020}, author = {Kautharapu, Kumar and Pujari, Narahari S. and Golegaonkar, Sandeep B. and Ponrathnam, Surendra and Nene, Sanjay N. and Bhatnagar, D.} } @article { ISI:000263397000011, title = {Winged bean chymotrypsin inhibitors retard growth of Helicoverpla anmigera}, journal = {Gene}, volume = {431}, number = {1-2}, year = {2009}, month = {FEB}, pages = {80-85}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Two putative Kunitz-type chymotrypsin inhibitor genes (WC12 and WC15) were isolated from winged bean (Psophocarpus tetragonolobus (L.) DC). While WC12 has previously been characterized, WC15 represents a new member of the WC1 family. WC15 was exclusively expressed in winged bean seeds. Theoretical translation of both the genes resulted into polypeptides of 207 amino acids with 86\% sequence similarity. The polypeptide sequences contain four half-cysteine residues and a well-conserved Leu(65)-Ser(66) reactive site, typical for chymotrypsin inhibitors. WC15 and WC12 were expressed in Pichia pastoris and the recombinant proteins were assayed against various proteinases. Both the inhibitors strongly inhibited commercially available bovine chymotrypsin. More importantly, gut proteinases of Helicoverpa armigera larvae that damage many important crop plants, were inhibited by WC12 and WC15. In addition, both proteinase inhibitors demonstrated significant reduction of growth of H. armigera larvae after feeding on inhibitor incorporated artificial diets. The inhibitory effects of WC12 and WC15 on activity of proteinases and larval growth make these proteins and their genes promising candidates for enhancing plant defense against H. armigera using transgenic plants. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Antimetabolic effect, Digestive gut proteinases, Kunitz-type proteinase inhibitor, Organ-specific mRNA expression, Psophocarpus tetragonolobus}, issn = {0378-1119}, doi = {10.1016/j.gene.2008.10.026}, author = {Telang, Manasi A. and Giri, Ashok P. and Pyati, Prashant S. and Gupta, Vidya S. and Tegeder, Mechthild and Franceschi, Vincent R.} } @article { ISI:000276010700025, title = {Acidity tuning of montmorillonite K10 by impregnation with dodecatungstophosphoric acid and hydroxyalkylation of phenol}, journal = {Applied Clay Science}, volume = {48}, number = {1-2, SI}, year = {2010}, month = {MAR}, pages = {164-170}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Acidity tuning of montmorillonite K10 (mont K10) was achieved by impregnating with dodecatungstophosphoric acid (DTP). The effect on the hydroxyalkylation of phenol was studied at 353 K with phenol to formaldehyde molar ratio of 5. The nature and strength of acid sites were determined by NH(3)-TPD measurement while the distribution of Brensted and Lewis acid sites expressed as B/L ratio, was determined by pyridine IR technique. Among various loadings of DTP (5-60\%) studied for the hydroxyalkylation of phenol, 20\% DTP/mont K10 showed the highest catalyst activity (90\% selectivity to bisphenol F with 28\% conversion of phenol). Both total concentration of acid sites and the distribution of acid sites in a high temperature region were required for the high bisphenol F selectivity. Our catalyst (20\% DTP/Mont K10) could be recycled three times. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Acidity tuning, Dodecatungstophosphoric acid/Montmorillonite K10, Hydroxyalkylation, Impregnation, Temperature programmed desorption}, issn = {0169-1317}, doi = {10.1016/j.clay.2009.11.042}, author = {Garade, Ajit C. and Kshirsagar, V. S. and Mane, R. B. and Ghalwadkar, Ajay A. and Joshi, U. D. and Rode, C. V.} } @article { ISI:000280389500002, title = {Addition of a silyl ketene acetal to alpha,beta-unsaturated cyclic anhydrides}, journal = {Synthetic Communications}, volume = {40}, number = {16}, year = {2010}, month = {JUL}, pages = {PII 924771265}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Addition of [1-methoxy-2 methyl-1-propenyl)-oxy] trimethylsilane (MTS) to unsymmetrical ,-unsaturated cyclic anhydrides (namely, itaconic anhydride and citraconic anhydride) as well as symmetrical anhydrides (namely, maleic anhydride and 2,3-dimethylmaleic anhydride) was investigated. Itaconic anhydride isomerizes to citraconic anhydride in the presence of MTS. In the presence of Lewis acid catalysts (Yb(OTf)3/CH2Cl2), MTS adds to itaconic anhydride at room temperature in a 1,4-fashion. 1,2-Addition is the preferred pathway with both 2,3-dimethyl maleic anhydride and citraconic anhydride.

}, keywords = {1, 2-Addition, 4-addition, cyclic anhydrides, Lewis acid, Silyl ketene acetal}, issn = {0039-7911}, doi = {10.1080/00397910903243815}, author = {Gnaneshwar, Rudhramyna and Sivaram, Swaminathan} } @article {42793, title = {Amino functionalized oligoimides telechelics}, number = {2922/DEL/2010 A}, year = {2010}, month = {AUG}, type = {India Patents}, abstract = {

This invention relates to a process for the preparation of amino functionalized oligoimide telechelics. More particularly it relates to a process for the preparation of soluble oligoimide prepolymers which can be used as matrix resins that can be rapidly cured to form stable polyimides with amino end functionalities. The amino functionalized oligoimide telechelics are suitable for conversion into three dimensional polymeric systems through condensation chemistry such as reaction with oligo epoxies (epoxy-imide resins), polyacids (polyamide imides) and polyhalogenated compounds (poly amine - imides) to form crosslinked structures having enhanced thermal stability and mechanical strength. The polymers prepared by the process of this invention can be used as materials in advanced composites having high temperature stability.

}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Reddy, Krishna Mohan Srinivasulu and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Rajan, Chelanattukizhakkemadath Raman and Deokar, Sarika Babasaheb and Mulani, Khudbudin Baban and Ghorpade, Ravindra V. and Bhongale, Sunil Sitaram and Nalawade, Archana Chetan and Sontakke, Kalpana Vishwanathrao and Shaikh, Wasif Abdul Lateef and Chavan, Nayaku and Qureshi, Mohammed Shadbar and Dhoble, Deepa Arun and Mule, Smita Atmaram and Bhosle, Sonali Madhavrao and Momin, Mohasin Shamshuddin} } @article { ISI:000280527500021, title = {Amino/guanidino-functionalized N-(pyrrolidin-2-ethyl)glycine-based pet-PNA: design, synthesis and binding with DNA/RNA}, journal = {Organic \& Biomolecular Chemistry}, volume = {8}, number = {16}, year = {2010}, month = {JUN}, pages = {3742-3750}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The N-(pyrrolidin-2-ethyl) glycine-based PNA (pet-PNA) backbone, with 4-amino or 4-guanidino-functionalized pyrrolidine ring, confers constrained conformational flexibility on aegPNA. The oligomers bind to the target DNA and RNA sequences with increased sequence specificity and antiparallel versus parallel orientation selectivity. The easy post-synthetic guanidination gives very good access to the positively charged PNA oligomers.

}, issn = {1477-0520}, doi = {10.1039/c004005c}, author = {Gokhale, Sachin S. and Kumar, Vaijayanti A.} } @article { ISI:000273942600008, title = {Antifungal agents, WO2009025733}, journal = {Expert Opinion on Therapeutic Patents}, volume = {20}, number = {1}, year = {2010}, month = {JAN}, pages = {137-143}, publisher = {INFORMA HEALTHCARE}, address = {TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND}, abstract = {

Background: The incidence and prevalence of serious mycoses continues to be a public health problem. These infections are an important cause of morbidity and mortality, especially in immunocompromised patients. The present patent deals with isolation and characterization of a {\textquoteleft}pure{\textquoteright} mixture of two novel isoxazolidinone-containing natural products from two new fungal strains. They have the partial structure of secalonic acid and show very good antifungal activity in mammals and plants and also synergism with other active ingredients. Objective: To analyze the activity of the isoxazolidinone-containing compounds in the present patent. Methods: To review the discovery and development of antifungal compounds in general and secalonic acid related compounds in particular. Conclusion: The research of Parish and collaborators at Merck and Co. has isolated novel antifungal compounds with a new mode of action. These molecules may be considered potential antifungal leads for further clinical study.

}, keywords = {Antifungal agents, CaFT, isoxazolidinone, parnafungins, secalonic acids}, issn = {1354-3776}, doi = {10.1517/13543770903338768}, author = {Sudhir, Pore Vandana and Ranan, Deshpande Sunita and Ganpat, Aher Nilkanth} } @article { ISI:000285081400018, title = {Assessment of Pongamia pinnata (L.) - a biodiesel producing tree species using ISSR markers}, journal = {Current Science}, volume = {99}, number = {10}, year = {2010}, month = {NOV}, pages = {1327-1329}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Sujatha, K. and Rajwade, A. V. and Gupta, V. S. and Hazra, Sulekha} } @article { ISI:000284499400011, title = {Base dependent pyrrolidine ring pucker in aep-PNA monomers NMR and PSEUROT analysis}, journal = {Tetrahedron}, volume = {66}, number = {47}, year = {2010}, month = {NOV}, pages = {9165-9170}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The aep-PNA is a chiral and cyclic PNA analogue which has a stronger and base dependent binding affinity with complementary DNA To understand the base dependent properties at monomer level the structural studies of aep-PNA-(T/C/A) monomers have been carried out focussing on the conformational analysis of pyrrolidine ring pucker in aep-PNA by H-1 NMR and the coupling constant data fitted into PSEUROT software The results indicate that the type of pyrrolidine pucker depends on the electronic nature of substituent implying the effect of pyrimidine or purine substituents in determining the ring pucker in monomers This may consequently influence the aep-PNA oligomer conformation Since pyrrolidine nucleic acids have emerged as an important class of PNA analogues present results may have importance for their future development (C) 2010 Elsevier Ltd All rights reserved

}, keywords = {A T G and C, aep PNA, Conformational analysis, DNA RNA and PNA, Pyrrolidine ring}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.09.082}, author = {Sharma, Nagendra K. and Ganesh, Krishna N.} } @article { ISI:000275708600041, title = {Carbon dissolution and segregation in Pd(110)}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {11}, year = {2010}, month = {MAR}, pages = {5060-5067}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The bulk-surface diffusion of carbon in Pd(110) has been investigated using Molecular beams to examine the clean-off of carbon with gas-phase oxygen. The dominant product of the reaction above 600 K is CO CO, is only produced at much lower temperatures where the lifetime of adsorbed CO is significant. The segregation from the bulk Only Occurs at a measurable rate at \>750 K, while loss of carbon into the bulk call occur at much lower temperatures. The reaction of carbon at high temperatures shows two regimes: (i) a non steady-state evolution of CO due to the clean-off of surface carbon already present on the surface, followed by (ii) a near steady-state reaction due to the continuous diffusion of carbon to the surface.

}, issn = {1932-7447}, doi = {10.1021/jp9108046}, author = {Bowker, Michael and Counsell, Jonathan and El-Abiary, Kareem and Gilbert, Lee and Morgan, Chris and Nagarajan, Sankaranarayanan and Gopinath, Chinnakonda S.} } @article { ISI:000281161700013, title = {Catalytic asymmetric transfer hydrogenation of ketones using [Ru(p-cymene)Cl-2](2) with chiral amino alcohol ligands}, journal = {Catalysis Letters}, volume = {138}, number = {3-4}, year = {2010}, month = {SEP}, pages = {231-238}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Catalytic asymmetric transfer hydrogenation of aromatic alkyl ketones has been investigated using [Ru(p-cymene)Cl-2](2) and new derivatives of beta-amino alcohols synthesized from (S)-(-)-lactic acid and mandelic acid as ligands. Chiral secondary alcohols were obtained with good to excellent conversion (60-90\%) and moderate to good enantioselectivities (40-86\%). Asymmetric transfer hydrogenation of ketones has been investigated using [Ru(p-cymene)Cl-2](2) and beta-amino alcohols synthesized from (S)-(-)-lactic acid and Mandelic acid as ligands. Chiral secondary alcohols were obtained with good to excellent conversion (60-90\%) and moderate to good enantioselectivities (40-86\%).

}, keywords = {Amino alcohol ligand, Asymmetric transfer hydrogenation, Ketones, Ru catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-010-0408-y}, author = {Deshpande, Sudhindra H. and Kelkar, Ashutosh A. and Gonnade, Rajesh G. and Shingote, Savita K. and Chaudhari, Raghunath V.} } @article {42742, title = {Chronic inflammatory responses to microgel-based implant coatings}, journal = {Journal of Biomedical Materials Research}, volume = {94A}, year = {2010}, month = {JUL}, pages = {252-258}, doi = {10.1002/jbm.a.32669}, author = {Bridges, Amanda W. and Whitmire, Rachel E. and Singh, Neetu and Templeman, Kellie L. and Babensee, Julia E. and Lyon, L. Andrew and Garcia, Andres J.} } @article { ISI:000283495200040, title = {Clicking molecular hooks on silica nanoparticles to immobilize catalytically important metal complexes: the case of gold catalyst immobilization}, journal = {New Journal of Chemistry}, volume = {34}, number = {11}, year = {2010}, month = {AUG}, pages = {2662-2670}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Gold mediated reactions have emerged as one of the best choices for affecting a variety of chemical transformations with a wide range of functional group tolerance. Application of such transformations to industrial processes necessitates immobilization of the Au ions into a matrix for easy separation of the catalyst after reaction. We report the synthesis and characterization of silica nanoparticles in which Au(III) has been immobilized through a 1,2,3-triazole linkage using an alkynalated picolinic acid exploiting {\textquoteleft}{\textquoteleft}click chemistry{\textquoteright}{\textquoteright}. The Au( III) immobilized silica nanoparticle has been thoroughly characterized using FT-IR, C-13 CP MAS NMR and XPS. The utility of these particles as an easily separable catalyst for the Hashmi phenol synthesis is also reported.

}, issn = {1144-0546}, doi = {10.1039/c0nj00292e}, author = {Ganai, Anal Kumar and Bhardwaj, Rima and Hotha, Srinivas and Sen Gupta, Sayam and Bhagavatula L. V. Prasad} } @article { ISI:000282188800021, title = {Colossal thermoelectric power in Gd-Sr manganites}, journal = {EPL}, volume = {91}, number = {1}, year = {2010}, month = {JUL}, pages = {17008}, publisher = {EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY}, address = {6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE}, abstract = {

Manganites belonging to the series Gd(1-x)Sr(x)MnO(3) (x=0.3, 0.4 and 0.5) were prepared by wet solid-state reaction and their thermoelectric power was evaluated. Thermoelectric power measurements revealed a peak value at similar to 40 K. All the samples exhibited a colossal thermopower at similar to 40K and in that Gd(0.5)Sr(0.5)MnO(3) exhibited a maximum value of similar to 35 V/K, which is the largest reported for these class of materials at this temperature. Temperature-dependent magnetisation measurements showed that the samples exhibit a phase transition from paramagnetic to spin-glass-like state at these temperatures. Plausible mechanisms responsible for the observed colossal thermoelectric power in Gd-Sr manganites are discussed. Copyright (C) EPLA, 2010

}, issn = {0295-5075}, doi = {10.1209/0295-5075/91/17008}, author = {Sagar, S. and Ganesan, V. and Joy, Pattayil Alias and Thomas, Senoy and Liebig, A. and Albrecht, M. and Anantharaman, Maliemadom R.} } @article { ISI:000280597500004, title = {Conformational and functional transitions in class II alpha-mannosidase from aspergillus fischeri}, journal = {Journal of Fluorescence}, volume = {20}, number = {4}, year = {2010}, month = {JUL}, pages = {827-836}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The conformational transitions in an oligomeric and high molecular weight class II alpha-mannosidase from Aspergillus fischeri were examined using fluorescence and CD spectroscopy under chemical, thermal and acid denaturing conditions. The enzyme lost the activity first and then the overall folded conformation and secondary structure. The midpoint values of GdnHCl mediated changes measured by inactivation; fluorescence and negative ellipticity were 0.48 M, 1.5 M and 1.9 M, respectively. The protein almost completely unfolded in 4.0 M GdnHCl but not at 90 A degrees C. The inactivation and unfolding were irreversible. At pH 2.0, the protein exhibited molten-globule like intermediate with rearranged secondary and tertiary structures and exposed hydrophobic amino acids on the surface. This species showed increased accessibility of Trp to the quenchers and got denatured with GdnHCl in a different manner. The insoluble aggregates of a thermally denatured protein could be detected only in the presence of 0.25-0.75 M GdnHCl.

}, keywords = {Aggregation, alpha-Mannosidase, ANS binding, Circular dichroism, fluorescence, GdnHCl, Hydrobicity, Thermal denaturation}, issn = {1053-0509}, doi = {10.1007/s10895-010-0625-1}, author = {Shashidhara, K. S. and Gaikwad, Sushama M.} } @article { ISI:000281980600018, title = {Conformational polymorphism in racemic 2,4-Di-o-Benzoyl-6-o-Tosyl myo-Inositol 1,3,5-Orthoacetate}, journal = {Journal of Structural Chemistry}, volume = {51}, number = {4}, year = {2010}, month = {AUG}, pages = {725-730}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The title compound, C(29)H(26)O(10)S, yields two conformational polymorphs concomitantly from dichloromethane-methanol mixture; the major polymorph grows as plates (Form I, monoclinic, P2(1)/n) and the minor polymorph grows as needles (Form II, triclinic, P-1). The two forms differ mainly in orientation of the tosyl group. In Form I, sulfonyl oxygen of the tosyl group makes intermolecular C -HaEuro broken vertical bar O interactions, whereas the same group in Form II is involved in an intramolecular short dipolar S=OaEuro broken vertical bar C=O (sulfonyl-carbonyl) contact. The molecular organization and the influence of various weak non-covalent interactions that stabilize these conformers in the crystal lattices are discussed.

}, keywords = {Conformation, crystal structure, dipolar interactions, Inositol, non-covalent interactions, polymorphism, sulfonyl-carbonyl contact}, issn = {0022-4766}, doi = {10.1007/s10947-010-0107-y}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000276497600005, title = {Continuous phenol biodegradation in a simple packed bed bioreactor of calcium alginate-immobilized Candida tropicalis (NCIM 3556)}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {26}, number = {5}, year = {2010}, month = {MAY}, pages = {805-809}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Phenol biodegradation in a continuous system of immobilized Candida tropicalis NCIM 3556 was studied. The bioreactor was simple, it had a feed inlet from the bottom and the effluent outlet from top, no supplementary oxygen was supplied, the reactor was operated continuously for 116 days. Initially the column was run continuously with a feed concentration of 2 g l(-1) for 42 days whence a degradation of \> 97\% was achieved. The feed concentration was then increased to 3 g l(-1), for which a similar to 80\% biodegradation was sustained for 90 days after which there was a steady decrease in the performance. When the phenol degradation was reduced to similar to 50\% in 116 days, the reactor was stopped. The efficiency of free cells recycled every 24 h and immobilized cells were compared; it was estimated that repeated reuse of free cells in batch mode gave an overall efficiency of 0.102 g phenol degradation g(-1) cell wet weight in 12 days. In contrast, the immobilized system of the same biomass had a longer working lifetime of similar to 4 months indicating an efficiency of 3.72 g phenol g(-1) cell wet wt.

}, keywords = {Biodegradation, Ca alginate, Candida tropicalis, Immobilization, phenol}, issn = {0959-3993}, doi = {10.1007/s11274-009-0236-7}, author = {Varma, R. J. and Gaikwad, B. G.} } @article { ISI:000280605900013, title = {Coupling growth-factor engineering with nanotechnology for therapeutic angiogenesis}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {107}, number = {31}, year = {2010}, month = {AUG}, pages = {13608-13613}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

Therapeutic angiogenesis is an emerging paradigm for the management of ischemic pathologies. Proangiogenic Therapy is limited, however, by the current inability to deliver angiogenic factors in a sustained manner at the site of pathology. In this study, we investigated a unique nonglycosylated active fragment of hepatocyte growth factor/scatter factor, 1K1, which acts as a potent angiogenic agent in vitro and in a zebrafish embryo and a murine matrigel implant model. Furthermore, we demonstrate that nanoformulating 1K1 for sustained release temporally alters downstream signaling through the mitogen activated protein kinase pathway, and amplifies the angiogenic outcome. Merging protein engineering and nanotechnology offers exciting possibilities for the treatment of ischemic disease, and furthermore allows the selective targeting of downstream signaling pathways, which translates into discrete phenotypes.

}, keywords = {cardiovascular disease, HGF/SF, ischemic disease, nanoparticle, protein engineering}, issn = {0027-8424}, doi = {10.1073/pnas.1006007107}, author = {Roy, Rituparna Sinha and Soni, Shivani and Harfouche, Rania and Vasudevan, Pooja R. and Holmes, Oliver and de Jonge, Hugo and Rowe, Arthur and Paraskar, Abhimanyu and Hentschel, Dirk M. and Chirgadze, Dimitri and Blundell, Tom L. and Gherardi, Ermanno and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article { ISI:000277463600014, title = {Critical role of particle size and interfacial properties in the visible light induced splitting of water over the nanocrystallites of supported cadmium sulphide}, journal = {International Journal of Hydrogen Energy}, volume = {35}, number = {8}, year = {2010}, month = {APR}, pages = {3287-3296}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

CdS crystallites of varying size (1 to 5.0 nm) were successfully deposited on the surfaces of polyester and activated charcoal. The size and the texture of these crystallites depended on CdS loading and also on the substrate morphology. These highly dispersed photocatalysts displayed a pyramidal trend in activity for visible light induced splitting of water molecules, similar to that reported for the heterogeneous catalytic reactions over supported noble metals. Thus, the CdS particles of similar to 2.5 nm size gave rise to maximum rate of H(2) evolution as compared to the particles of either smaller or of larger size. The particles of \<1.5 nm diameter were of poor crystallinity and displayed a significant Q-size effect on the absorption edge. Our study provides direct evidence for the structure sensitivity of photocatalytic dissociation of water over supported semiconductor nanocrystallites, where the particle size and the interfacial microstructural defects played a vital role. (C) 2010 Professor T. Nejat Veziroglu. Published by Elsevier Ltd. All rights reserved.

}, keywords = {CdS nanocrystallites, Interfacial defects, Photocatalysis, Structural sensitivity, water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2010.01.134}, author = {Deshpande, Aparna and Gupta, Narendra M.} } @article { ISI:000275769700022, title = {Crystal structure, NMR and theoretical investigations on 2-(o-hydroxy-anilino)-1,4-napthoquinone}, journal = {Journal of Molecular Structure}, volume = {966}, number = {1-3}, year = {2010}, month = {MAR}, pages = {144-151}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Crystal structure, (1)H NMR and cyclic voltammetric investigations of 2-(o-hydroxy-anilino)-1,4-napthoquinone (HAN), resulting from coupling of aminophenol with 2-hydroxy-1,4-napthoquinone, have been carried out. X-ray structure reveals that the HAN ligand crystallizes in orthorhombic space group Pca2(1) with Z = 4. forming a chain via inter-molecular O2 center dot center dot center dot H1A-O1 and C15-H15 center dot center dot center dot O3 interactions. Both (1)H NMR and cyclic voltammetry experiments suggest the titled ligand is associated and exists as dinner in d(6)-DMSO while the monomer has been predicted in CDCl(3) solution. Density functional calculations can be utilized to gauge the strength of hydrogen-bonded interactions from the (1)H chemical shifts in the NMR spectra. Self-consistent reaction field (SCRF) calculations further support the inferences drawn from cyclic voltammetry experiments. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {(1)H NMR, cyclic voltammetry, Density functional, hydrogen bonding, Napthoquinone}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2009.12.029}, author = {Feizi, Nourollah and Pinjari, Rahul V. and Gejji, Shridhar P. and Sayyed, Fareed B. and Gonnade, Rajesh G. and Rane, Sandhya Y.} } @article { ISI:000278165900028, title = {Crystallization and preliminary X-ray diffraction analysis of various enzyme-substrate complexes of isopropylmalate dehydrogenase from thermus thermophilus}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {66}, number = {6}, year = {2010}, month = {JUN}, pages = {738-743}, publisher = {WILEY-BLACKWELL PUBLISHING, INC}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The Thermus thermophilus 3-isopropylmalate dehydrogenase (Tt-IPMDH) enzyme catalyses the penultimate step of the leucine-biosynthesis pathway. It converts (2R,3S)-3-isopropylmalate to (2S)-2-isopropyl-3-oxosuccinate in the presence of divalent Mg(2+) or Mn(2+) and with the help of NAD(+). In order to elucidate the detailed structural and functional mode of the enzymatic reaction, crystals of Tt-IPMDH were grown in the presence of various combinations of substrate and/or cofactors. Here, the crystallization, data collection and preliminary crystallographic analyses of six such complexes are reported.

}, issn = {1744-3091}, doi = {10.1107/S174430911001626X}, author = {Merli, Angelo and Manikandan, Karuppasamy and Graczer, Eva and Schuldt, Linda and Singh, Rajesh Kumar and Zavodszky, Peter and Vas, Maria and Weiss, Manfred S.} } @article { ISI:000273922200025, title = {Crystal-to-crystal thermal phase transition amongst dimorphs of hexa-O-p-toluoyl-myo-inositol conserving two-dimensional isostructurality}, journal = {Crystengcomm}, volume = {12}, number = {2}, year = {2010}, month = {SEP}, pages = {478-484}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Triclinic (P-1) crystals of hexa-O-p-toluoyl-myo-inositol obtained from common organic solvents exhibited single crystal-to-single crystal irreversible phase transition centered at similar to 250 degrees C. The transformation of these crystals to monoclinic P2(1)/n form was revealed using DSC and X-ray diffraction studies. The latter crystals could also be produced by melt crystallization. Crystal structure analysis revealed that the molecules in both forms are linked via bifurcated C-H center dot center dot center dot O interactions to make almost identical centrosymmetric dimers. The neighbouring dimers are bridged via C-H center dot center dot center dot O and aromatic pi center dot center dot center dot pi stacking interactions to create two-dimensional isostructural assemblies. The difference in the two crystal forms arises from linking of the centrosymmetric dimers along the third dimension; the dimers are centrosymmetrically bridged in the triclinic form, while they have n-glide relationship in the monoclinic form. Comparison of the dimorph structures further revealed that they are actually an excellent case of morphotropism since dimorphs are related by non crystallographic rotation and translation of their basic motif (centrosymmetric dimers) that transforms the triclinic (P-1) phase to a monoclinic (P2(1)/n) phase.

}, issn = {1466-8033}, doi = {10.1039/b910546h}, author = {Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000275090400021, title = {Cu:Al Nano catalyst for selective hydrogenolysis of glycerol to 1,2-propanediol}, journal = {Catalysis Letters}, volume = {135}, number = {1-2}, year = {2010}, month = {MAR}, pages = {141-147}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Non-chromium Cu:Al nano catalyst prepared by simultaneous co-precipitation and digestion method without any template or stabilizer, showed three times higher activity than the bulk Cu-Cr catalyst for hydrogenolysis of glycerol in both isopropanol and water solvents, with the selectivity to 1,2-Propanediol (1,2-PDO) as high as 91\% at 493 K and H(2) pressure of 7 MPa in 5 h. XRD pattern showed the presence of Cu(+) species in the activated Cu: Al nano catalyst. Although Cu(+) is catalytically inactive in glycerol hydrogenolysis reaction, the presence of Cu(+) helps to stabilize the particle size in a narrow range of 7-11 nm by inhibiting the sintering of copper particles under reaction conditions.

}, keywords = {1, 2-Propanediol, Cu:Al nano catalyst, Glycerol, Selective hydrogenolysis}, issn = {1011-372X}, doi = {10.1007/s10562-010-0276-5}, author = {Mane, Rasika B. and Hengne, Amol M. and Ghalwadkar, Ajay A. and Vijayanand, Subramanian and Mohite, Pravin H. and Potdar, Hari S. and Rode, Chandrashekhar V.} } @article { ISI:000281836300026, title = { [Cu]-Catalyzed S(N)AR reactions: direct amination of electron deficient aryl halides with sodium azide and the synthesis of arylthioethers under Cu(II)-ascorbate redox system}, journal = {Tetrahedron}, volume = {66}, number = {38}, year = {2010}, month = {SEP}, pages = {7642-7650}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A one pot [Cu]-promoted SNAr reaction of electron-deficient halobenzenes with sodium azide and the reduction of the intermediate aryl azides under the same Cu(II) ascorbate redox conditions leading to anilines has been documented. Control experiments revealed that both ascorbate and proline play important role in the reaction path way. Further, the use of this catalytic Cu(II) ascorbate redox system has been explored for the synthesis of arylthioethers. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Anilines, Azide reduction, Cu(II)-ascorbate redox system, SNAr reaction, Thioether}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.07.032}, author = {Goriya, Yogesh and Ramana, C. V.} } @article { ISI:000281754000029, title = {DFT Study of lewis base interactions with the MgCl2 surface in the ziegler-natta catalytic system: expanding the role of the donors}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {37}, year = {2010}, month = {SEP}, pages = {15771-15781}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We present a computational study, using density functional theory, of the role of internal and external donors in supported heterogeneous Ziegler-Natta polymerization catalyst systems. The focus of the investigation is the ability of the donors to stabilize the MgCl2 support through the zip mode of coordination. Phthalates and alkoxy benzoates have been considered as representative internal and external donors, respectively. Models for the alpha (ccp) and the beta (hcp) phases of the (110) MgCl2 lateral cut have been considered. Studies were first done with a {\textquoteleft}{\textquoteleft}Fully Fixed Model{\textquoteright}{\textquoteright}, where the atoms in the MgCl2 lateral cuts were kept fixed. The studies indicated that the phthalate donors would preferentially stabilize the alpha phase of MgCl2, while the alkoxy benzoate donors would stabilize the beta phase more, corroborating experimental results. A comparison of the zip coordination mode with other modes of coordination (mono, chelate, and bridge) indicates that it would be preferred over the mono and chelate coordination modes and be competitive with the bridge coordination mode. The validity of the Fully Fixed Model was then tested by doing calculations with the Partially Relaxed (some of the magnesium and chlorine atoms unfixed) and the Fully Relaxed (all atoms free) Models. The results from the latter two models corrected some of the discrepancies that had been observed for the Fully Fixed Model in comparison to previous experimental and computational investigations but were in general agreement with the Fully Fixed Model, indicating that the overall conclusions drawn with the earlier model are correct. Insertion studies done on an octahedrally coordinated titanium site flanked by two zip-coordinated phthalate donor molecules indicated that the zip-coordinating donors can confer exceptional regioselectivity to the titanium center. A list of potential donors that could serve as external donors, with di-iso-butyl phthalate (DIBP) as the internal donor, was investigated, and it was found that 1,3-diethers would serve as the best external donors to DIBP.

}, issn = {1932-7447}, doi = {10.1021/jp106673b}, author = {Vanka, Kumar and Singh, Gurmeet and Iyer, Divya and Gupta, Virendra K.} } @article { ISI:000277325500008, title = {Dibutyltin oxide catalyzed aminolysis of oxalate to carbamate, oxamate and derivatives of imidazolidine trione}, journal = {Applied Organometallic Chemistry}, volume = {24}, number = {5}, year = {2010}, month = {MAY}, pages = {402-407}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

Catalytic aminolysis of oxalates by simple and substituted ureas has been shown to give carbamates, oxamates and derivatives of imidazolidine trione. Various substituted ureas and oxalates were screened to verify the applicability of the protocol. The role of dibutyltin oxide as catalyst, effect of solvent and reaction conditions on product distribution pattern has been discussed. Copyright (C) 2010 John Wiley \& Sons, Ltd.

}, keywords = {Aminolysis, carbamate, derivative of imidazolidine trione, oxalate, oxamate, transfunctionalyzation, Urea}, issn = {0268-2605}, doi = {10.1002/aoc.1629}, author = {Kunde, Lalita B. and Kalyani, Vishwanath S. and Gupte, Sunil P.} } @article { ISI:000276270100009, title = {Differential accumulation of gliadin proteins in wheat grain of RILs grown at two different agroclimatic conditions and their effect on loaf volume}, journal = {Australian Journal of Crop Science}, volume = {4}, number = {1}, year = {2010}, month = {JAN}, pages = {63-67}, publisher = {SOUTHERN CROSS PUBL}, address = {8 91-93 MCKENZIE ST, LISMORE, NSW 2480, AUSTRALIA}, abstract = {

The end use of wheat depends on the quality and quantity of protein accumulated in the grain during the grain filling stage. Gliadin families of proteins are proved to affect the bread making quality (BMQ) by affecting the rheology and functionality of dough. The gliadin accumulation was analysed using Indian genotypes grown in two diverse agro climatic zones. About 16 RILs along with their parents HI977 and HD2329 revealed significant difference in accumulation of all gliadin fractions. High accumulation of alpha and beta gliadin with low level of gamma gliadin was observed for Kota as compared to Pune location. However, this significant difference in gliadin accumulation due to environment, did not affect the loaf volume performance of the RILs at statistically significant level.

}, keywords = {loaf volume (Lv), RP-HPLC, Wheat protein}, issn = {1835-2693}, author = {Elangovan, M. and Dholakia, Bhushan B. and Gaikwad, S. M. and Gupta, V. S.} } @article {42727, title = {Direct hydrogenation of amides to alcohols and amines under mild conditions}, journal = {Journal of the American Chemical Society}, volume = {132}, year = {2010}, month = {NOV}, pages = {16756{\textendash}16758}, abstract = {

The selective, direct hydrogenation of amides to the corresponding alcohols and amines with cleavage of the C-N bond was discovered. The expected products of C-O cleavage are not formed (except as traces in the case of anilides). The reaction proceeds under mild pressure and neutral, homogeneous conditions using a dearomatized, bipyridyl-based PNN Ru(II) pincer complex as a catalyst. The postulated mechanism involves metal-ligand cooperation by aromatization-dearomatization of the heteroaromatic pincer core and does not involve hydrolytic cleavage of the amide. The simplicity, generality, and efficiency of this environmentally benign process make it attractive for the direct transformations of amides to alcohols and amines in good to excellent yields.

}, doi = {10.1021/ja1080019}, author = {Balaraman, Ekambaram and Gnanaprakasam, Boopathy and Shimon, Linda J. W. and Milstein, David} } @article { ISI:000276229500006, title = {Discovery of rifampicin as a new anti-glycating compound by matrix-assisted laser desorption/ionization mass spectrometry-based insulin glycation assay}, journal = {European Journal of Mass Spectrometry}, volume = {16}, number = {2}, year = {2010}, month = {FEB}, pages = {221-226}, publisher = {IM PUBLICATIONS}, address = {6 CHARLTON MILL, CHARLTON, CHICHESTER,, W SUSSEX PO18 0HY, ENGLAND}, abstract = {

An in vitro insulin glycation assay was developed for screening glycation inhibitors. The assay involves the use of matrix-assisted laser desorption/ionization time-of-flight mass spectrometry for monitoring the formation of glycated insulin. The assay is simple, rapid and amenable for high throughput screening. Using this assay we have discovered a strong anti-glycation activity for the anti-tuberculosis drug rifampicin. These results were compared with bovine serum albumin glucose fluorescence assay. In addition, the IC(50) of rifampicin was lower than that of aminoguanidine, a known anti-glycating agent, suggesting that rifampicin is a more potent glycation inhibitor.

}, keywords = {AGE, aminoguanidine, antibiotic, diabetic complication, drug repositioning, IC(50)}, issn = {1469-0667}, doi = {10.1255/ejms.1066}, author = {Golegaonkar, Sandeep B. and Bhonsle, Hemangi S. and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000278534900028, title = {D-(-)-Lactic acid production from cellobiose and cellulose by Lactobacillus lactis mutant RM2-24}, journal = {Green Chemistry}, volume = {12}, number = {6}, year = {2010}, month = {MAY}, pages = {1106-1109}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Lactobacillus lactis mutant RM2-24 utilizes cellobiose efficiently, converting it into D-(-)-lactic acid. Cellobiose-degrading enzyme activities were determined for whole cells, cell extracts and disrupted cells. Aryl-beta-glucosidase activity was detected in whole cells and disrupted cells, suggesting that these activities are confined to the cells. The mutant produced 80 g l(-1) of lactic acid from 100 g l(-1) of cellobiose with 1.66 g l(-1) h(-1) productivity. Production of D-lactic acid from different cellulose samples was also studied. The cellulose samples at high concentration (10\%) were hydrolyzed by cellulase enzyme preparation (10 FPU g(-1) cellulose) derived from Penicillium janthinellum mutant EU1 generated in our own laboratory. We obtained a maximum 72\% hydrolysis, yielding glucose and cellobiose as the main end products. Lactic acid was produced from these cellulose samples by simultaneous sacchari. cation and fermentation (SSF) in a media containing a cellulase enzyme preparation derived from Penicillium janthinellum mutant EU1 and cellobiose utilizing Lactobacillus lactis mutant RM2-24. A maximum lactic acid concentration of 73 g l(-1) was produced from a concentration of 100 g l(-1) of bagasse-derived cellulose, the highest productivity and yield being 1.52 g l(-1) h(-1) and 0.73 g g(-1), respectively. Considering that bagasse is a waste material available in abundance, we propose to use this biomass to produce cellulose and then sugars, which can be fermented to valuable products such as ethanol and lactic acid.

}, issn = {1463-9262}, doi = {10.1039/b925975a}, author = {Singhvi, Mamta and Joshi, Dipti and Adsul, Mukund G. and Varma, Anjanikumar and Gokhale, Digambar V.} } @article { ISI:000284326800032, title = {Effect of sub-lethal concentrations of insect growth regulator, lufenuron on larval growth and development of Aedes aegypti}, journal = {Current Science}, volume = {99}, number = {9}, year = {2010}, month = {NOV}, pages = {1256-1259}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

The effect of sub-lethal concentrations (LC20 = 0.0002 and 0.001 ppm, and LC40 = 0.002 and 0.02 ppm for II and IV instar larvae respectively) of a dispersible concentrate formulation of the insect growth regulator, lufenuron on larval growth and development of Aedes aegypti was studied. When II and IV instar larvae were subjected to the above-mentioned sub-lethal concentrations of lufenuron through the culture medium, there was a significant increase in the time taken for pupation (17.2 +/- 0.74 and 11.4 +/- 0.8 days for II and IV instar LC20-treated larvae respectively, and 19 +/- 0.89 and 14.6 +/- 1.0 days for II and IV instar LC40-treated larvae respectively). Also, there was increase in the time taken for adult emergence 3.8 +/- 0.83 and 5.4 +/- 0.83 days from pupation of LC40-treated II and IV instar larvae respectively). There was 28.1 +/- 2.06\% and 43.59 +/- 0.87\% reduction in pupation in LC20 of lufenuron-treated II and IV instar A. aegypti larvae respectively. Also, with LC20 of lufenuron-treated II and IV instar larvae there was 43.54 +/- 5.12\% and 43.59 +/- 0.87\% reduction in adult emergence respectively. Further, it was observed that II instar larvae treated with LC20 of lufenuron developed into 25.8 +/- 2.08\% deformed adults. In LC40-treated II instar larvae there was 33.72 +/- 2.38\% reduction in pupation and 63.44 +/- 4.76\% reduction in adult emergence. Also, it was observed that there was 54.84 +/- 3.9\% and 61.3 +/- 5.2\% reduction in pupation and adult emergence respectively, in IV instar larvae treated with LC40 of lufenuron. The reduction in pupation of the IV instar larvae treated with LC40 of lufenuron was due to failure of the larvae to undergo pupation. These studies are fundamental to the use of lufenuron in A. aegypti management.

}, keywords = {Aedes aegypti, larval growth and development, lufenuron, sub-lethal concentration}, issn = {0011-3891}, author = {Salokhe, S. G. and Mukherjee, Samindra N. and Deshpande, S. G. and Ghule, V. P. and Mathad, J. R.} } @article { ISI:000273038200015, title = {Effect of the allylic substituents on ring closing metathesis: the total synthesis of stagonolide B and 4-epi-stagonolide B}, journal = {Organic \& Biomolecular Chemistry}, volume = {8}, number = {2}, year = {2010}, month = {OCT}, pages = {398-406}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The total syntheses of stagonolide B and its 4-epimer were carried out to probe into how the relative stereochemistry of allylic hydroxy groups and their protecting groups influence the efficiency of the ring closing metathesis.

}, issn = {1477-0520}, doi = {10.1039/b916198h}, author = {Giri, Awadut G. and Mondal, Mohabul A. and Puranik, Vedavati G. and Ramana, Chepuri V.} } @article { ISI:000282792300030, title = {Efficient industrial dye decolorization by Bacillus sp. VUS with its enzyme system}, journal = {Ecotoxicology and Environmental Safety}, volume = {73}, number = {7}, year = {2010}, month = {OCT}, pages = {1696-1703}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

This work presents role of different enzymes in decolorization of industrial dye Orange T4LL by Bacillus sp. VUS. Bacillus sp. strain VUS decolorized dye Orange T4LL, under static anoxic condition in 24 h. During decolorization of Orange T4LL a significant induction in the activities of lignin peroxidase, tyrosinase, and reductases (NADH-DCIP, azo, and riboflavin) was observed. The biodegradation was monitored by Ultraviolet-visible spectroscopy, Fourier transform infrared spectroscopy, and high performance liquid chromatography. The final products 4-methyl-2-o-tolylazo-benzene-1,3-diamine and [3-(phenyl-hydrazono)-cyclohexa-1,4-dienyl]-methanol were characterized by gas chromatography-mass spectroscopy. Phytotoxicity, COD, and BUD revealed non-toxicity of degraded products. Phytotoxicity study demonstrated non-toxicity of the biodegraded products for crop plants with respect to Triticum aestivum and Sorghum bicolor. Bacillus sp. VUS with its enzyme system could be a useful tool for textile effluent treatment. (C) 2010 Elsevier Inc. All rights reserved.

}, keywords = {Decolorization, GC-MS, Lignin peroxidase, Orange T4LL, Phytotoxicity, Reductases}, issn = {0147-6513}, doi = {10.1016/j.ecoenv.2010.07.002}, author = {Dawkar, Vishal V. and Jadhav, Umesh U. and Tamboli, Dhawal P. and Govindwar, Sanjay P.} } @article { ISI:000285311000016, title = {Enantio- and diastereocontrolled total synthesis of (+)-strictifolione}, journal = {European Journal of Organic Chemistry}, number = {36}, year = {2010}, month = {DEC}, pages = {6993-7004}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

A concise and practical enantioselective synthesis of (+)-strictifolione has been achieved in high diastereomeric excess using Jacobsen{\textquoteright}s hydrolytic kinetic resolution, proline-catalyzed sequential alpha-aminoxylation and Horner-Wadsworth-Emmons olefination of aldehyde and cross olefin/ring-closing metathesis as the key steps.

}, keywords = {Asymmetric synthesis, Hydrolytic kinetic resolution, lactones, Natural products, organocatalysis, Ring-closing metathesis, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201001221}, author = {Kumar, Pradeep and Pandey, Menaka and Gupta, Priti and Naidu, S. Vasudeva and Dhavale, Dilip D.} } @article { ISI:000274436100010, title = {Enhanced production of gibberellin A(4) (GA(4)) by a mutant of Gibberella fujikuroi in wheat gluten medium}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {37}, number = {3}, year = {2010}, month = {MAR}, pages = {297-306}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Mutants of Gibberella fujikuroi with different colony characteristics, morphology and pigmentation were generated by exposure to UV radiation. A mutant, Mor-189, was selected based on its short filament length, relatively high gibberellin A(4) (GA(4)) and gibberellin A(3) (GA(3)) production, as well as its lack of pigmentation. Production of GA(4) by Mor-189 was studied using different inorganic and organic nitrogen sources, carbon sources and by maintaining the pH of the fermentation medium using calcium carbonate. Analysis of GA(4) and GA(3) was done by reversed-phase high-performance liquid chromatography and LC-MS. The mutants of G. fujikuroi produced more GA(4) when the pH of the medium was maintained above 5. During shake flask studies, the mutant Mor-189 produced 210 mg l(-1) GA(4) in media containing wheat gluten as the nitrogen source and glucose as the carbon source. Fed-batch fermentation in a 14 l agitated fermenter was performed to evaluate the applicability of the mutant Mor-189 for the production of GA(4). In 7-day fed-batch fermentation, 600 mg l(-1) GA(4) were obtained in the culture filtrate. The concentration of GA(4) and GA(3) combined was 713 mg l(-1), of which GA(4) accounted for 84\% of the total gibberellin. These values are substantially higher than those published previously. The present study indicated that, along with maintenance of pH and controlled glucose feeding, the use of wheat gluten as the sole nitrogen source considerably enhances GA(4) production by the mutant Mor-189.

}, keywords = {Fermentation, GA(4), Gibberella fujikuroi, Mutant, Wheat gluten}, issn = {1367-5435}, doi = {10.1007/s10295-009-0673-1}, author = {Lale, Geetanjali and Gadre, Ramchandra V.} } @article { ISI:000273400300004, title = {Experimental and theoretical study on the remarkable influence of protecting groups on the selectivity of addition of amines to vinyl sulfone-modified hex-2-enopyranosides}, journal = {Journal of Organic Chemistry}, volume = {75}, number = {2}, year = {2010}, month = {JAN}, pages = {303-314}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Although phenylmethylene-protected vinyl sulfone-modified carbohydrate 2 alpha reacts with both primary and secondary amines in Michael fashion to afford aminated products, only primary amines react with the dibenzyl-protected 3 alpha, 6-O-trityl-protected 4 alpha, and unprotected 5 alpha, highlighting for the first time the remarkable influence of protecting, groups on the reaction patterns of vinyl sulfone-modified carbohydrates. The quantum chemical calculations suggest that the Michael addition of amines and proton transfer to vinyl sulfone-modified carbohydrates 2 alpha and 5 alpha are possible via relay process in a concerted mechanism. These calculations reveal that the addition of primary amines to vinyl sulfone-modified carbohydrate is preferential due to the low activation energy barriers, whereas the addition of secondary amines has relatively higher activation energy barriers. The theoretical conclusions are in line with the experimental observations.

}, issn = {0022-3263}, doi = {10.1021/jo902046g}, author = {Bhattacharya, Rahul and Kesharwani, Manoj K. and Manna, Chinmoy and Ganguly, Bishwajit and Suresh, Cheravakattu G. and Pathak, Tanmaya} } @article { ISI:000278798900006, title = {Expression profiling of various genes during the fruit development and ripening of mango}, journal = {Plant Physiology and Biochemistry}, volume = {48}, number = {6}, year = {2010}, month = {JUN}, pages = {426-433}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Mango (Mangifera indica L. cv. Alphonso) development and ripening are the programmed processes; conventional indices and volatile markers help to determine agronomically important stages of fruit life (fruit-setting, harvesting maturity and ripening climacteric). However, more and precise markers are required to understand this programming; apparently, fruit{\textquoteright}s transcriptome can be a good source of such markers. Therefore, we isolated 18 genes related to the physiology and biochemistry of the fruit and profiled their expression in developing and ripening fruits, flowers and leaves of mango using relative quantitation PCR. In most of the tissues, genes related to primary metabolism, abiotic stress, ethylene response and protein turnover showed high expression as compared to that of the genes related to flavor production. Metallothionin and/or ethylene-response transcription factor showed highest level of transcript abundance in all the tissues. Expressions of mono- and sesquiterpene synthases and 14-3-3 lowered during ripening; whereas, that of lipoxygenase, ethylene-response factor and ubiquitin-protein ligase increased during ripening. Based on these expression profiles, flower showed better positive correlation with developing and ripening fruits than leaf. Most of the genes showed their least expression on the second day of harvest, suggesting that harvesting signals significantly affect the fruit metabolism. Important stages in the fruit life were clearly indicated by the significant changes in the expression levels of various genes. These indications complemented those from the previous analyses of fruit development, ripening and volatile emission, revealing the harmony between physiological, biochemical and molecular activities of the fruit. (C) 2010 Elsevier Masson SAS. All rights reserved.

}, keywords = {Mangifera indica, Stress response, Terpene metabolism, Transcriptome analysis}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2010.02.012}, author = {Pandit, Sagar S. and Kulkarni, Ram S. and Giri, Ashok P. and Koellner, Tobias G. and Degenhardt, Joerg and Gershenzon, Jonathan and Gupta, Vidya S.} } @article { ISI:000275363900023, title = {Fabrication, characterization and electrochemical performance of single strand carbon fiber prepared by catalytic chemical vapor decomposition method}, journal = {Electrochimica Acta}, volume = {55}, number = {6}, year = {2010}, month = {FEB}, pages = {2022-2028}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Preparation, fabrication and voltammetric characterizations of a single strand of carbon fiber (SSCF) electrode and their potential applications for biosensor are presented. SSCFs of diameter ca. 10 +/- 2 mu m and few millimeters in length are prepared by catalytic chemical vapor decomposition (CCVD) method. Voltammetry with potassium ferricyanide. alpha-methylferrocene methanol and hexaammineruthenium(III) chloride on SSCF electrode are used as bench marks to validate the electrode properties. Quasi-steady state voltammograms obtained were fitted into a cylindrical diffusion model From which, the standard rate constant (k(0)) and electron transfer coefficient (alpha) are obtained. The use of SSCF electrode is demonstrated for the voltammetric detection of the micromolar quantity of dopamine in the presence of large excess (ca. 200 times) of ascorbic acid, without any fouling of electrode surface. The kinetics of electron transfer are investigated. (C) 2009 Elsevier Ltd All rights reserved.

}, keywords = {alpha-Methylferrocene methanol, Ascorbic acid, Catalytic chemical vapor decomposition (CCVD), Cylindrical diffusion, dopamine, Hexaammineruthenium(III) chloride, Single strand carbon fiber (SSCF) electrode}, issn = {0013-4686}, doi = {10.1016/j.electacta.2009.11.025}, author = {Joshi, Vrushali S. and Gokhale, Suresh P. and Patil, Kashinath R. and Haram, Santosh K.} } @article { ISI:000284238000010, title = {Fabrication of homogeneous nanoparticle/nanoneedle BaTiO3 and Ba0.8Sr0.2TiO3 smooth thin films by simple dip coating}, journal = {International Journal of Nanotechnology}, volume = {7}, number = {9-12, SI}, year = {2010}, month = {DEC}, pages = {919-931}, publisher = {INDERSCIENCE ENTERPRISES LTD}, address = {WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 896, CH-1215 GENEVA, SWITZERLAND}, abstract = {

Ferroelectric BaTiO3 (BTO) and Ba0.8Sr0.2TiO3 (BSTO) thin film materials have been successfully prepared by sol-gel processing and simple dip coating on glass and silicon supports. Above thin films were characterised by x-ray diffraction (XRD), Raman spectroscopy, photoelectron spectroscopy, thermal analysis, atomic force microscopy (AFM) and spectroscopic ellipsometry. Phase identification of BaTiO3 and Ba0.8Sr0.2TiO3 was performed by XRD. XRD and Raman spectroscopy investigations demonstrate that thc Ba0.8Sr0.2TiO3 film exhibits tetragonal structure. AFM analysis demonstrates the elongated nanospherical particles on glass substrate and nanowires on silicon substrate, which represent a strong influence of the crystallinity of underlying substrate on the grain morphology in this technique. The thin films on both the substrates are uniformly coated without any pinhole to significant area (similar to 2.5 cm(2)), and this method might be extended to large area uniform coating. Spectroscopic ellipsometric measurements reveal the exact thickness, refractive index and extinction coefficient of the thin films.

}, keywords = {barium strontium titanate, barium titanate, dip coating, fabrication, ferroelectric material, large area coating, nanotechnology, thin film}, issn = {1475-7435}, author = {Saini, Mamta and Vivekanand, K. and Poddar, Pankaj and Murty, K. V. G. K. and Thushara, K. S. and Gopinath, Chinnakonda S.} } @article { ISI:000284018100044, title = {Facile synthesis of N- and S-incorporated nanocrystalline TiO2 and direct solar-light-driven photocatalytic activity}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {45}, year = {2010}, month = {NOV}, pages = {19473-19482}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Sulfur- and nitrogen-incorporated mesoporous TiO2 (SNT) nanocomposites have been synthesized by a template-free homogeneous coprecipitation technique. The above nanocomposites have been thoroughly characterized by physicochemical and spectroscopy methods to explore the structural, electronic, and optical properties. The photocatalytic activities of the catalysts were evaluated for the degradation of methyl orange and phenol under direct solar light. SNT shows about a 2-fold higher photocatalytic activity than singly N-doped or S-doped mesoporous TiO2 and 3-fold higher than Degussa P25. The higher activity might be attributed to the synergetic interaction of sulfate and nitrogen with the TiO2 lattice. N-Ti-O and O-Ti-N-O environments are responsible for a red shift, and the sulfate group on TiO2 acts as a cocatalyst, for increasing surface acidity as well as for sustaining the redox cycles for high stability.

}, issn = {1932-7447}, doi = {10.1021/jp1083345}, author = {Naik, Brundabana and Parida, K. M. and Gopinath, Chinnakonda S.} } @article { ISI:000285081100050, title = {Ferrocene-Bis(thymine/uracil) conjugates: base pairing directed, spacer dependent self-assembly and supramolecular packing}, journal = {Journal of Organic Chemistry}, volume = {75}, number = {24}, year = {2010}, month = {DEC}, pages = {8705-8708}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

X-ray crystallographic studies of methylene linked Ferrocene-bis(thymine/uracil) conjugates Fc(T:T)m and Fc(U:U)(M) reveal base dependent 2-D supramolecular assemblies generated via wobble self-pairing for bis-thymine and reverse wobble self-pairing for bis-uracil conjugates, differing in architecture from the corresponding butylene spacer linked conjugates

}, issn = {0022-3263}, doi = {10.1021/jo101813z}, author = {Patwa, Amit N. and Gonnade, Rajesh G. and Kumar, Vaijayanti A. and Bhadbhade, Mohan M. and Ganesh, Krishna N.} } @article { ISI:000272071800042, title = {Flocculation of dimorphic yeast benjaminiella poitrasii is altered by modulation of NAD-glutamate dehydrogenase}, journal = {Bioresource Technology}, volume = {101}, number = {4}, year = {2010}, month = {FEB}, pages = {1393-1395}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A strategy to control flocculation is investigated using dimorphic yeast, Benjaminiella poitrasii as a model. Parent form of this yeast (Y) exhibited faster flocculation (11.1 min) than the monomorphic yeast form mutant Y-5 (12.6 min). Atomic force microscopy revealed higher surface roughness of Y (439.34 rms) than Y-5 (52 rms). Also, the former had a zeta potential of -65.97 +/- 3.45 as against -50.21 +/- 2.49 for the latter. Flocculation of both Y and Y-5 could be altered by supplementing either substrates or inhibitor of NAD-glutamate dehydrogenase (NAD-GDH) in the growth media. The rate of flocculation was promoted by alpha-ketoglutarate or isophthalic acid and decelerated by glutamate with a statistically significant inverse correlation to corresponding NAD-GDH levels. These interesting findings open up new possibilities of using NAD-GDH modulating agents to control flocculation in fermentations for easier downstream processing. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Benjaminiella poitrasii, dimorphism, flocculation, NAD-glutamate dehydrogenase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2009.09.052}, author = {Joshi, C. V. and Ghormade, Vandana and Kunde, P. and Kulkarni, P. and Mamgain, H. and Bhat, Suresh K. and Paknikar, K. M. and Deshpande, Mukund V.} } @article { ISI:000208189304130, title = {Glycerine to renewable amino alcohol: reaction mechanism and kinetics of the catalytic reductive amination of hydroxyacetone}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {239}, year = {2010}, month = {MAR}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0065-7727}, author = {Arredondo, Victor M. and Gibson, Michael S. and Fairweather, Neil T. and Daniels, Angella C. and Kreuzer, David P. and Jaganathan, Rengaswamy} } @article { ISI:000284266200038, title = {Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction}, journal = {Crystengcomm}, volume = {12}, number = {12}, year = {2010}, month = {Aug}, pages = {4184-4197}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The crystal structure of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthoformate (1) which underwent a facile intermolecular benzoyl transfer reaction in the solid state, revealed a helical assembly of molecules along the two-fold screw axis via O-H center dot center dot center dot O hydrogen bond bringing the electrophile (C=O) and the nucleophile (-OH) in close proximity along the helical axis. However, structurally related racemic 2,6-di-O-(p-halobenzoyl)-myo-inositol 1,3,5-orthoformates (bromo (2) and chloro (3)) produced triclinic dimorphs (both P (1) over bar) when crystallized from methanol and ethyl acetate. Molecules in either form did not assemble spirally (like 1), and instead exhibited a one-dimensional isostructurality, bridging O-H center dot center dot center dot O linked identical molecular strings via C-H center dot center dot center dot O interactions across the inversion center. However, the molecules of 2 and 3 assembled in a helical manner similar to 1 with inclusion of solvent molecules in the crystal lattice when crystallized from other common organic solvents. Remarkably, in all the solvates the host molecules formed strikingly similar helices around the crystallographic 2(1)-screw axis through O-H center dot center dot center dot O bond involving the -OH group and carbonyl oxygen of the equatorial C2-O-benzoyl group. Comparison of the crystal structure of dimorphs and the solvatomorphs revealed that the solvent molecules, which interact with the orthoformate-bridge, trigger the helix formation of the host. The difference in the crystal structures of solvatomorphs arises in the interlinking of the neighbouring helices, which creates voids of different sizes to accommodate the solvent molecules. All the solvates crystallized in the monoclinic system distributed over three different space groups P2(1)/n, P2(1)/c and C2/c. In the P2(1)/n system, the adjacent helices are linked via C-X center dot center dot center dot O contacts, in P2(1)/c via C-H center dot center dot center dot X (X Cl, Br) contacts and in C2/c via short X center dot center dot center dot X contacts (X = Cl). The helical organization achieved through solvent mediation and inclusion is of significance in creating molecular packing for intermolecular acyl transfer reactions in crystals.

}, issn = {1466-8033}, doi = {10.1039/b924482d}, author = {Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Shashidhar, Mysore S. and Bhadbhade, Mohan M.} } @article { ISI:000273933800010, title = {Heterogenized copper catalysts for the amination of arylhalide: synthesis, characterization and catalytic applications}, journal = {Applied Catalysis A-General}, volume = {372}, number = {1}, year = {2010}, month = {JAN}, pages = {73-81}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This research investigated the synthesis, characterization and catalytic activity of heterogenized copper complexes for the selective amination of aryl halides. Amination reactions using homogeneous copper catalyst systems are not generally selective and it is also difficult to recover the catalyst from the homogeneous system for recycling. To overcome these difficulties, our efforts were directed towards the development of cheaper heterogeneous catalyst systems, which can be easily recovered and recycled. Heterogenized analogs of the homogenous Cu complexes were prepared using two methods: (a) encapsulation of copper complexes in zeolite-Y and (b) tethering of copper complexes on various supports like zeolite-Y, silica, charcoal, or clay. The encapsulated and tethered copper catalysts on zeolite-Y were characterized using EPR, Diffused reflectance UV-vis, XRD, IAS, ICPES, SEM, and TEM. The results confirmed that the copper complexes were truly heterogenized in zeolite-Y support. Encapsulated and tethered copper complexes were tested for amination of aryl iodide. The effects of various reaction parameters were examined using tethered Cu(Phen)(PPh(3))Br-PTA-Y catalyst to determine optimum conditions. A recycle study of encapsulated and tethered Cu catalyst was carried out to test their robustness for possible commercial exploitation. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Amination, C-N coupling, Copper, heterogeneous catalysis, mesoporous materials}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.10.013}, author = {Patil, Nandkumar M. and Gupte, Sunil P. and Chaudhari, Raghunath V.} } @article { ISI:000281323300012, title = {Highly selective claisen-schmidt condensation catalyzed by silica chloride under solvent-free reaction conditions}, journal = {Synthetic Communications}, volume = {40}, number = {19}, year = {2010}, month = {AUG}, pages = {PII 926308853}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Silica chloride serves as a useful catalyst in the cross-aldol condensation, leading to the synthesis of a wide variety of bisarylidene cycloalkanones and chalcones. The catalyst showed high selectivity; self-condensation of ketones was not observed.

}, keywords = {Aldol reaction, arylidene cycloalkanone, Claisen-Schmidt, condensation, silica chloride}, issn = {0039-7911}, doi = {10.1080/00397910903340637}, author = {Hazarkhani, Hassan and Kumar, Pradeep and Kondiram, Kadam Sachin and Gadwal, Ikhlas M. Shafi} } @article {42746, title = {Highly stable adamantyl-substituted pincer-ligated iridium catalyst for alkane dehydrogenation}, journal = {Organometallics}, volume = {29}, year = {2010}, month = {MAY}, pages = {2702{\textendash}2709}, abstract = {

The adamantyl-substituted pincer-ligand precursor AdPCP-H [(AdPCP = κ3-C6H3-2,6-(CH2PAd2)2); Ad = 1-adamantyl] has been synthesized by the reaction of 1,3-dibromoxylene with di-1-adamantylphosphine in the presence of triethylamine. Treatment of AdPCP-H with [Ir(COD)Cl]2 (COD = 1,5-cyclooctadiene) affords the pincer-ligated complex (AdPCP)IrHCl, which was crystallographically characterized. Dehydrohalogenation of (AdPCP)IrHCl either with LiBEt3H or with KOtBu, under hydrogen atmosphere, yields the hydrides (AdPCP)IrH2 and (AdPCP)IrH4. (AdPCP)IrH2 catalyzes dehydrogenation of alkanes with a level of activity comparable to that of the previously reported (tBuPCP)IrH2, while it is thermally much more robust than the tBuPCP analogue, as well as iPrPCP or tBuPOCOP pincer complexes.

}, doi = {10.1021/om100145q}, author = {Punji, Benudhar and Emge, Thomas J. and Goldman, Alan S.} } @article { ISI:000275524800024, title = {Hydroxyalkylation of p-Cresol to 2,2 {\textquoteleft}-methylenebis(4-methylphenol) using Sn/Si-MCM-41 catalysts}, journal = {Chemistry Letters}, volume = {39}, number = {2}, year = {2010}, month = {FEB}, pages = {126-127}, publisher = {CHEMICAL SOC JAPAN}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

Sn/Si-MCM-41 has exhibited an excellent catalytic activity [70\% product yield with 88\% selectivity to 2,2{\textquoteright}-methylenebis(4-methylphenol)] for the selective hydroxyalkylation of p-cresol. At equal level of Sn loading, Sn/Si-MCM-41 prepared by direct hydrothermal synthesis showed higher activity than Sn-impregnated Si-MCM-41 catalyst.

}, issn = {0366-7022}, doi = {10.1246/cl.2010.126}, author = {Garade, Ajit C. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Rode, Chandrashekhar V.} } @article { ISI:000273895500012, title = {Immobilized palladium nanoparticles catalyzed oxidative carbonylation of amines}, journal = {Industrial \& Engineering Chemistry Research}, volume = {49}, number = {3}, year = {2010}, note = {Joint 7th International Symposium on Catalysis in Multiphase Reactors (CAMURE-7)/6th International Symposium on Multifunctional Reactors (ISMR-6), Montreal, CANADA, AUG 23-26, 2009}, month = {FEB}, pages = {1027-1032}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Catalytic application of immobilized palladium nanoparticles for synthesis or ureas by oxidative carbonylation of amines has been investigated. This is the first report oil oxidative carbonylation of amines to ureas using immobilized palladium nanoparticles catalyst. The palladium nanoparticles were immobilized on a NaY zeolite support through 3-aminopropyl-trimethoxysilane (APTS) as anchoring agent. The [Pd]-APTS-Y catalyst along with NaI promoter showed high conversion and selectivity to the desired urea products over several amine compounds including ail example of an aliphatic amine precursor even at 333 K. The immobilized catalyst was easily separated and recycled several times without any loss of activity. The role of different solvents, iodide promoters, iodide to Pd ratio, concentration of substrates, and temperature on the overall yield of the reaction was also investigated.

}, issn = {0888-5885}, doi = {10.1021/ie9007024}, author = {Didgikar, Mahesh R. and Roy, Debdut and Gupte, Sunil P. and Joshi, Sunil S. and Chaudhari, Raghunath V.} } @article { ISI:000285370100021, title = {In situ, on-resin synthesis of 8-Br/NH2 adeninyl peptide nucleic acid (PNA) oligomers and complementation studies with DNA}, journal = {Tetrahedron Letters}, volume = {51}, number = {50}, year = {2010}, month = {DEC}, pages = {6560-6564}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new, novel and efficient in situ synthesis of 8-aminoadeninyl PNA oligomers from corresponding 8-bromoadeninyl PNA oligomers is reported. The study of hybridisation properties of (8-Br/8-NH2) PNA oligomers with cDNA reveals substitution-site dependent stabilization of derived triplexes and duplexes. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.10.040}, author = {Vysabhattar, Raman and Ganesh, Krishna N.} } @article { ISI:000281054300011, title = {Interaction of recombinant CanPIs with helicoverpa armigera gut proteases reveals their processing patterns, stability and efficiency}, journal = {Proteomics}, volume = {10}, number = {15}, year = {2010}, month = {JUL}, pages = {2845-2857}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Six diverse representative Capsicum annuum (common name: hot pepper; Solanaceae) protease inhibitor genes, viz CanPI-5, -7, -13, -15, -19, and 22 comprising 1-4 inhibitory repeat domains (IRDs), were cloned and expressed in Pichia pastoris. The recombinant proteins were evaluated for their interactions with bovine trypsin, chymotrypsin, and Helicoverpa armigera gut proteases (HGP) using electrophoretic (native and denaturing) and mass spectrometric (MALDI-TOF-MS in combination with intensity fading assays) techniques. These techniques allow qualitative and semiquantitative analysis of multiple and processed IRDs of purified recombinant Capsicum annuum proteinase inhibitor (rCanPI) proteins. rCanPIs showed over 90\% trypsin inhibition, varying chymotrypsin inhibition depending on the number of respective IRDs and over 60\% inhibition of total HGP. rCanPI-15 that has only one IRD showed exceptionally low inhibition of these proteases. Interaction studies of rCanPIs with proteases using intensity fading-MALDI-TOF-MS revealed gradual processing of multi-IRD rCanPIs into single IRD forms by the action of HGP at the linker region, unlike their interactions with trypsin and chymotrypsin. Intensity fading-MALDI-TOF-MS assay showed that CanPI-13 and -15, possessing single IRD and expressed predominantly in stem tissue are degraded by HGP; indicating their function other than defense. In vitro and in vivo studies on rCanPI-5 and -7 showed maximum inhibition of HGP isoforms and their processed IRDs were also found to be stable in the presence of HGP. Even single amino acid variations in IRDs were found to change the HGP specificity like in the case of HGP-8 inhibited only by IRD-12. The presence of active PI in insect gut might be responsible for changed HGP profile. rCanPI-5 and -7 enhanced HGP-7, reduced HGP-4, -5, -10 expression and new protease isoforms were induced. These results signify isoform complexity in plant PIs and insect proteases.

}, keywords = {CanPI, H. armigera gut proteases, Intensity fading MALDI-TOF-MS, Pin-II, Plant proteomics, Plant-insect interaction}, issn = {1615-9853}, doi = {10.1002/pmic.200900853}, author = {Mishra, Manasi and Tamhane, Vaijayanti A. and Khandelwal, Neha and Kulkarni, Mahesh J. and Gupta, Vidya S. and Giri, Ashok P.} } @article {42454, title = {Intermolecular N-heterocyclic carbene-catalyzed hydroacylation of arynes}, journal = {Angewandte Chemie-International Edition}, volume = {49}, year = {2010}, month = {DEC}, pages = {9761{\textendash}9764}, abstract = {

A formal introduction: The conceptually new N-heterocyclic carbene catalyzed formal insertion of arynes into the Cformyl[BOND]H bond of aldehydes demonstrates the compatibility of nucleophilic NHCs with electrophilic arynes. This NHC-catalyzed hydroacylation of arynes allows the conversion of aliphatic, α,β-unsaturated, and aromatic aldehydes into aryl ketones; 27 examples and a preliminary mechanistic investigation are provided.

}, doi = {10.1002/anie.201005490}, author = {Biju, Akkattu T. and Glorius, Frank} } @article { ISI:000274449000021, title = {Intramolecular hydrogen abstraction in radicals derived from inositol 1,3-acetals: efficient access to cyclitols}, journal = {European Journal of Organic Chemistry}, number = {4}, year = {2010}, month = {FEB}, pages = {755-764}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

The benzylidene acetals obtained by cleavage of the orthobenzoate moiety in myo-mositol 1,3,5-orthobenzoate were used to prepare mono- as well as di-deoxy inositol derivatives via their xanthates. The dideoxygenation is a result of intramolecular abstraction of the benzylidene acetal hydrogen and subsequent cleavage of the acetal ring. Such a cleavage does not take place in analogous acetals derived from other orthoesters. The 1,3-acetals derived from myoinositol 1,3,5-orthoesters were also used to prepare neo-inositol and isomeric deoxy-amino inositols, Most of the reactions in these synthetic sequences starting from myo-inositol give one product in each step. The results presented here show that myo-inositol 1,3,5-orthobenzoate offers many advantages over other orthoesters for the synthesis of cyclitol derivatives from myo-inositol.

}, keywords = {cyclitols, Deoxygenation, Inosamine, Inositol, Radical reactions, Radicals, Xanthate}, issn = {1434-193X}, doi = {10.1002/ejoc.200901156}, author = {Murali, Chebrolu and Gurale, Bharat P. and Shashidhar, Mysore S.} } @article { ISI:000277784300022, title = {Inverse magnetocaloric effect in sol-gel derived nanosized cobalt ferrite}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {99}, number = {2, SI}, year = {2010}, month = {MAY}, pages = {497-503}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The magnetocaloric properties of cobalt ferrite nanoparticles were investigated to evaluate the potential of these materials as magnetic refrigerants. Nanosized cobalt ferrites were synthesized by the method of sol-gel combustion. The nanoparticles were found to be spherical with an average crystallite size of 14 nm. The magnetic entropy change (Delta S (m)) calculated indirectly from magnetization isotherms in the temperature region 170-320 K was found to be negative, signifying an inverse magnetocaloric effect in the nanoparticles. The magnitudes of the Delta S (m) values were found to be larger when compared to the reported values in the literature for the corresponding ferrite materials in the nanoregime.

}, issn = {0947-8396}, doi = {10.1007/s00339-010-5573-8}, author = {Gopalan, E. Veena and Al-Omari, I. A. and Kumar, D. Sakthi and Yoshida, Yasuhiko and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000280541800020, title = {Isochroman- and 1,3-dihydroisobenzofuran-annulation on carbohydrate templates via [2+2+2]-cyclotrimerization and synthesis of some tricyclic nucleosides}, journal = {Tetrahedron}, volume = {66}, number = {32}, year = {2010}, month = {AUG}, pages = {6085-6096}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of enantiopure tricyclic systems comprising isochroman or dihydroisobenzofuran units integrated with sugar templates has been documented. The alkyne cylotrimerization reaction has been employed with easily accessible sugar diynes for the key bicyclic ring construction and thus a provision to alter the functional groups on the newly formed aromatic rings. By selecting two representative trimerization products, we have synthesized the tricyclic nucleosides by simple synthetic manipulations. (c) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Dihydroisobenzofuran, Dihydroisobenzopyran, Modified nucleosides, Vorbruggen reaction, [2+2+2] cyclotrimerization}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.06.011}, author = {Suryawanshi, Sharad B. and Dushing, Mangesh P. and Gonnade, Rajesh G. and Ramana, C. V.} } @article { ISI:000279787200004, title = {Isolation, structure, and functional elucidation of a modified pentapeptide, cysteine protease inhibitor (CPI-2081) from streptomyces species 2081 that exhibit inhibitory effect on cancer cell migration}, journal = {Journal of Medicinal Chemistry}, volume = {53}, number = {14}, year = {2010}, month = {JUL}, pages = {5121-5128}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Cysteine proteases play an important role in cell migration and tumor metastasis. Therefore, their inhibitors are of colossal interest, having potential to be developed as effective antimetastatic drugs for tumor chemotherapy. Traditionally, secondary metabolites from streptomyces show a wide range of diversity with respect to their biological activity and chemical nature. In this article, we have described the characterization of small molecule cysteine protease inhibitor, CPI-2081 (compound 1), a mixture of two novel pentapeptides, compound 1a (736.71 Da), and compound 1b (842.78 Da), isolated from Streptomyces species NCIM2081, following solvent extraction and repeated HPLC based on C18 chemistry, and completely characterized using a variety of both ID and 2D NMR spectroscopy. Further, it was found that nanomolar concentration of compound 1 is able to inhibit papain hydrolytic activity. Also, compound 1 significantly inhibits tumor cell migration at sub cytotoxic concentration, indicating its remarkable potential to be developed as antimetastatic drug, which will make chemotherapy more localized and specific, thereby minimizing the hazardous side effects on normal tissues.

}, issn = {0022-2623}, doi = {10.1021/jm9014179}, author = {Singh, Jay Prakash and Tamang, Sudarsan and Rajamohanan, P. R. and Jima, N. C. and Chakraborty, Goutam and Kundu, Gopal C. and Gaikwad, Sushama M. and Khan, Mohammad Islam} } @article { ISI:000281430800001, title = {Kinetic model of TBP auto-regulation exhibits bistability}, journal = {Biology Direct}, volume = {5}, year = {2010}, month = {AUG}, pages = {50}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: TATA Binding Protein (TBP) is required for transcription initiation by all three eukaryotic RNA polymerases. It participates in transcriptional initiation at the majority of eukaryotic gene promoters, either by direct association to the TATA box upstream of the transcription start site or by indirectly localizing to the promoter through other proteins. TBP exists in solution in a dimeric form but binds to DNA as a monomer. Here, we present the first mathematical model for auto-catalytic TBP expression and use it to study the role of dimerization in maintaining the steady state TBP level. Results: We show that the autogenous regulation of TBP results in a system that is capable of exhibiting three steady states: an unstable low TBP state, one stable state corresponding to a physiological TBP concentration, and another stable steady state corresponding to unviable cells where no TBP is expressed. Our model predicts that a basal level of TBP is required to establish the transcription of the TBP gene, and hence for cell viability. It also predicts that, for the condition corresponding to a typical mammalian cell, the high-TBP state and cell viability is sensitive to variation in DNA binding strength. We use the model to explore the effect of the dimer in buffering the response to changes in TBP levels, and show that for some physiological conditions the dimer is not important in buffering against perturbations. Conclusions: Results on the necessity of a minimum basal TBP level support the in vivo observations that TBP is maternally inherited, providing the small amount of TBP required to establish its ubiquitous expression. The model shows that the system is sensitive to variations in parameters indicating that it is vulnerable to mutations in TBP. A reduction in TBP-DNA binding constant can lead the system to a regime where the unviable state is the only steady state. Contrary to the current hypotheses, we show that under some physiological conditions the dimer is not very important in restoring the system to steady state. This model demonstrates the use of mathematical modelling to investigate system behaviour and generate hypotheses governing the dynamics of such nonlinear biological systems.

}, issn = {1745-6150}, doi = {10.1186/1745-6150-5-50}, author = {Gokhale, Sucheta A. and Roshan, Reema and Khetan, Vivek and Pillai, Beena and Gadgil, Chetan J.} } @article { ISI:000288651100012, title = {Lipase of aspergillus niger NCIM 1207: a potential biocatalyst for synthesis of isoamyl acetate}, journal = {Indian Journal of Microbiology}, volume = {50}, number = {4}, year = {2010}, month = {OCT}, pages = {432-437}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Commercial lipase preparations and mycelium bound lipase from Aspergillus niger NCIM 1207 were used for esterification of acetic acid with isoamyl alcohol to obtain isoamyl acetate. The esterification reaction was carried out at 30 degrees C in n-hexane with shaking at 120 rpm. Initial reaction rates, conversion efficiency and isoamyl acetate concentration obtained using Novozyme 435 were the highest. Mycelium bound lipase of A. niger NCIM 1207 produced maximal isoamyl acetate formation at an alcohol/acid ratio of 1.6. Acetic acid at higher concentrations than required for the critical alcohol/acid ratio lower than 1.3 and higher than 1.6 resulted in decreased yields of isoamyl acetate probably owing to lowering of micro-aqueous environmental pH around the enzyme leading to inhibition of enzyme activity. Mycelium bound A. niger lipase produced 80 g/l of isoamyl acetate within 96 h even though extremely less amount of enzyme activity was used for esterification. The presence of sodium sulphate during esterification reaction at higher substrate concentration resulted in increased conversion efficiency when we used mycelium bound enzyme preparations of A. niger NCIM 1207. This could be due to removal of excess water released during esterification reaction by sodium sulphate. High ester concentration (286.5 g/l) and conversion (73.5\%) were obtained within 24 h using Novozyme 435 under these conditions.

}, keywords = {Aspergillus niger NCIM 1207, Fusel oil, Isoamyl acetate formation, Mycelium bound lipase, Novozyme 435}, issn = {0046-8991}, doi = {10.1007/s12088-011-0087-4}, author = {Mhetras, Nutan and Patil, Sonal and Gokhale, Digambar V.} } @article { ISI:000274773900028, title = {Long-range synthon aufbau modules (LSAM) in crystal structures: systematic changes in C6H6-nFn (0 <= n <= 6) fluorobenzenes}, journal = {Crystengcomm}, volume = {12}, number = {3}, year = {2010}, month = {OCT}, pages = {817-833}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We discuss the assembly of a three-dimensional molecular crystal in terms of short-range supramolecular synthons that spontaneously organize themselves according to Aufbau principles into long-range geometries characteristic of the molecules themselves. For this purpose we have examined the systematic changes in the known crystal structures of a family of fluorobenzenes, C6H6-nFn, where 0 \<= n \<= 6. Crystal assembly is initiated by forming long-range synthon Aufbau modules (LSAM) that carry the imprint of the synthons. For example, when 1 \<= n \<= 5 the short-range synthons use H center dot center dot center dot F interactions to form the LSAMs. In the n = 0 and n = 6 compounds, the synthons are H center dot center dot center dot C and F center dot center dot center dot C interactions, respectively. The LSAMs are usually one-dimensional. In this study we show that these 1D LSAMs assemble into 2D quasi-hexagonal close-packed layers. The 3D crystal structure is obtained from the various kinds of close-packing known for these 2D layers. The final stages of this 1D -\> 2D -\> 3D assembly seem to be more influenced by the packing of LSAMs than by any other factor. In these final stages, there may not be so much influence exerted by the stronger short-range synthons. We discuss the evolution of these fluorobenzene crystal structures in terms of putative LSAMs and the purely geometric relationships between the n and (6 - n) compounds that can thus be expected. Such particle-hole pairs show structural similarities. Our discussion is quantified by the interpretation of intermolecular distances in terms of atomic sizes and with qualitative predictions of magnetic model systems.

}, issn = {1466-8033}, doi = {10.1039/b910915c}, author = {Ganguly, P. and Desiraju, Gautam R.} } @article { ISI:000278305600001, title = {Magnetic, dielectric and complex impedance spectroscopic studies of nanocrystalline Cr substituted Li-ferrite}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {322}, number = {18}, year = {2010}, month = {SEP}, pages = {2629-2633}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nanocrystalline Li0.5Fe2.5-xCrxO4 (2.5 \<= x \>= 0) ferrites were prepared by a sol-gel autocombustion route. X-ray diffraction was employed to confirm the cubic spinel phase formation of the ferrites. The lattice parameter decreases with increase in Cr content. The saturation magnetization, coercivity and remanance were studied as a function of Cr content. The dielectric constant and dielectric loss were measured as a function of frequency in the frequency range 20 Hz-1 MHz. Frequency dependence of dielectric constant shows dielectric dispersion due to the Maxwell-Wagner type of interfacial polarization. In order to understand the conduction mechanism, complex impedance measurements were carried out. The substitution of chromium plays an important role in changing the dielectric and magnetic properties of lithium ferrites. (C) 2010 Published by Elsevier B.V.

}, keywords = {Complex impedance, dielectric response, Ferrites, Magnetic hysteresis, Sol-gel synthesis, X-ray diffraction}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2010.03.005}, author = {Hankare, P. P. and Patil, R. P. and Sankpal, U. B. and Garadkar, K. M. and Sasikala, R. and Tripathi, A. K. and Mulla, Imtiaz S.} } @conference { ISI:000287122200024, title = {Mathematical modeling and simulation of bubble column reactor for aerial liquid phase cyclohexane oxidation}, booktitle = {International Conference on Modeling, Optimization, and Computing}, series = {AIP Conference Proceedings}, volume = {1298}, year = {2010}, note = {International Conference on Modeling, Optimization, and Computing, Durgapur, INDIA, OCT 28-30, 2010}, month = {OCT}, pages = {151-159}, publisher = {Natl Inst Technol Durgapur; SERC, Dept Sci \& Technol; Caledonian Coll Engn; BRNS, Dept Atom Energy; DRDO, Minist Defence}, organization = {Natl Inst Technol Durgapur; SERC, Dept Sci \& Technol; Caledonian Coll Engn; BRNS, Dept Atom Energy; DRDO, Minist Defence}, address = {2 Huntington Quadrangle, STE 1no1, Melville, NY 11747-4501 USA}, abstract = {

Cyclohexane oxidation is an important but complex commercial reaction, wherein the desired product, K-A oil appears as an intermediates of the reaction sequence. A mathematical model has been developed for the bubble column reactor operating under isothermal conditions. The mass and energy model equations consisted of stiff ODEs. The model was applied to describe the behavior of bubble column reactor for aerial liquid phase cyclohexane oxidation. Effect of initial substrate concentration, catalyst loading and temperature was studied and discussed in detail. Conclusions were presented at the end of the study.

}, keywords = {K-A Oil Selectivity, Mathematical modeling, substrate conversion and product yield analysis}, isbn = {978-0-7354-0854-8}, issn = {0094-243X}, doi = {10.1063/1.3516293}, author = {Upkare, Makarand M. and Rajurkar, Kalpendra B. and Gupta, Pankaj R. and Jaganathan, Rengaswamy}, editor = {Paruya, S. and Kar, S. and Roy, S} } @article { ISI:000283204900015, title = {Micro-/meso-porous stannosilicate composites (Sn-MFI/MCM-41) via two-step crystallization process: process parameter-phase relationship}, journal = {Microporous and Mesoporous Materials}, volume = {136}, number = {1-3}, year = {2010}, month = {DEC}, pages = {115-125}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Sn-MFI/MCM-41 composite material was successfully synthesized by monitoring the re-crystallization time in a simple two-step crystallization process. The length of period allowed for the recrystallization of the precursor species was found to be a controlling factor to achieve either the end members viz. Sn-MCM-41 and Sn-MFI or Sn-MFI/MCM-41 composite material. Powder XRD, FTIR, SEM, TEM, nitrogen sorption measurement, DRUV-vis and hydroxyalkylation of p-cresol reaction were used as the characterization tools. Attempts were also made to establish the relationship between type of phase formed and the process parameters such as aging time, re-crystallization temperature, time and molar ratios of TPAOH/SiO(2), CTMABr/SiO(2) and SiO(2)/SnO(2) in the gel. (C) 2010 Elsevier Inc. All rights reserved.

}, keywords = {composites, Crystallization, Micro-/meso-porous stannosilicate, p-Cresol hydroxyalkylation, Sn-MCM-41, Sn-MFI}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2010.08.005}, author = {Niphadkar, Prashant S. and Garade, Ajit C. and Jha, Ratnesh Kumar and Rode, Chandrashekhar V. and Joshi, Praphulla N.} } @article { ISI:000275755500010, title = {Monitoring structural defects and crystallinity of carbon nanotubes in thin films}, journal = {Pramana-Journal of Physics}, volume = {74}, number = {3}, year = {2010}, month = {MAR}, pages = {447-455}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

We report the influence of catalyst formulation and reaction temperature on the formation of carbon nanotube (CNT) thin films by the chemical vapour deposition (CVD) method. Thin films of CNTs were grown on Fe-Mo/Al(2)O(3)-coated silicon wafer by thermal decomposition of methane at different temperatures ranging from 800 to 1000A degrees C. The electron microscopic investigations, SEM as well as HRTEM, of the as-grown CNT thin films revealed the growth of uniform multi-walled CNTs in abundance. The intensity ratio of D-band to G-band and FWHM of G-band through Raman measurements clearly indicated the dependency of structural defects and crystallinity of CNTs in thin films on the catalyst formulation and CVD growth temperature. The results suggest that thin films of multi-walled CNTs with negligible amount of defects in the nanotube structure and very high crystallinity can be obtained by thermal CVD process at 925A degrees C.

}, keywords = {Carbon nanotubes, chemical vapour deposition, Raman spectroscopy, scanning electron microscopy, Thin films}, issn = {0304-4289}, doi = {10.1007/s12043-010-0040-9}, author = {Mahajan, S. S. and Bambole, M. D. and Gokhale, S. P. and Gaikwad, A. B.} } @article { ISI:000286021300025, title = {Multistate unfolding of alpha-mannosidase from Canavalia ensiformis (Jack Bean): evidence for the thermostable molten globule}, journal = {Biochemical and Biophysical Research Communications}, volume = {403}, number = {3-4}, year = {2010}, month = {DEC}, pages = {391-397}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The relevance of partially ordered states of proteins (such as the molten-globule state) in cellular processes is beginning to be understood. We examined the conformational transitions in a multimeric and high molecular weight class II alpha-mannosidase from Canavalia ensiformis (Jack Bean) (Jb alpha-man) utilizing intrinsic fluorescence, solute quenching, hydrophobic dye binding, size exclusion chromatography and circular dichroism (CD) spectroscopy for the protein in presence of Guanidine hydrochloride (GdnHCl). The decomposition analysis of the protein spectra obtained during unfolding showed progressive appearance of class S, I, II and III trp. The parameter A and spectral center of mass showed multi state unfolding of the protein and phase diagram analysis revealed formation of an intermediate of Jb alpha-man in the vicinity of 1 M GdnHCl. The intermediate exhibited compact secondary and distorted tertiary structure with exposed hydrophobic amino acids on the surface, indicating the molten-globule nature. The dissociation, partial unfolding and aggregation of Jb alpha-man occurred simultaneously during chemical denaturation. The molten-globule possessed slightly higher hydrodynamic radius, perturbance in the structure up to 60 degrees C and stability of the structure up to 80 degrees C unlike the native Jack Bean alpha-mannosidase. The modes of chemical and thermal denaturation of the native protein were different. The solute quenching parameters confirmed the altered confirmation of the intermediate. Taken together, our results constitute one of the early reports of formation of GdnHCl induced molten globule in a class II alpha-mannosidase. (C) 2010 Elsevier Inc. All rights reserved.

}, keywords = {alpha-Mannosidase, Circular dichroism, fluorescence, Guanidine hydrochloride, Molten globule, Thermostability, Unfolding}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2010.11.041}, author = {Kumar, Avinash and Gaikwad, Sushama M.} } @article { ISI:000279514400059, title = {Nanoscale modulation of electronic states across unit cell steps on the surface of an epitaxial colossal magnetoresistance manganite film}, journal = {Applied Physics Letters}, volume = {96}, number = {26}, year = {2010}, month = {JUN}, pages = {Article No. 263108}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

The nature of electronic states near the edge of unit cell steps on the surface of epitaxial La(0.7)Sr(0.3)MnO(3) (LSMO) thin films grown by real-time reflection high energy electron diffraction monitored pulsed laser deposition is examined by scanning tunneling microscopy and scanning tunneling spectroscopy techniques. It is observed that the electronic states are strongly modulated near the step edge with considerably high gap at the edge and low gap on the terrace. This modulation weakens at low temperature. The temperature evolution of the density of states and the nature of gap in deep metallic state of LSMO are also discussed. (C) 2010 American Institute of Physics. [doi:10.1063/1.3455886]

}, keywords = {colossal magnetoresistance, electronic density of states, lanthanum compounds, magnetic epitaxial layers, Nanostructured materials, pulsed laser deposition, reflection high energy electron diffraction, scanning tunnelling microscopy, scanning tunnelling spectroscopy, strontium compounds}, issn = {0003-6951}, doi = {10.1063/1.3455886}, author = {Rana, Abhimanyu and Bogle, Kashinath A. and Game, Onkar S. and Patil, Shankar and Valanoor, Nagarajan and Ogale, Satishchandra B.} } @article { ISI:000274058400003, title = {Nature of the acid sites in the metal triflates immobilized in SBA-15 and their role in the friedel-crafts acylation of naphthalene}, journal = {Applied Catalysis A-General}, volume = {372}, number = {2}, year = {2010}, month = {JAN}, pages = {130-137}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The Zn-triflate molecules loaded (5-30 mol\%) in mesoporous SBA-15 silicate exhibited considerably higher catalytic activity for liquid-phase Friedel-Crafts (FC) acylation of naphthalene with p-toluoyl chloride, as compared to the corresponding triflates of La, Ce and Y. In situ FTIR studies revealed that the triflate molecules occluded in the channels of SBA-15 may cause severe perturbation of surface hydroxyl groups, without undergoing an electronic binding. The metal cations of the triflate molecules, on the other hand, participated in direct bonding of the reactant molecules and also helped in the formation of some Bronsted type surface acid sites. This article discusses the role of the acid sites generated on occlusion of metal triflates in SBA-15, as monitored by using NH(3)-TPD and pyridine-IR spectroscopy, in the Friedel-Crafts acylation of naphthalene. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Acylation, Mesoporous silica, Metal triflate, Naphthalene}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.10.021}, author = {Selvakumar, S. and Gupta, Narendra M. and Singh, A. P.} } @article {42578, title = {Near-IR activity of hybrid solar cells: enhancement of efficiency by dissociating excitons generated in PbS nanoparticles}, journal = {Applied Physics Letters}, volume = {96}, year = {2010}, month = {FEB}, pages = {Article no: 073505}, abstract = {

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

}, doi = {10.1063/1.3292183}, author = {Guchhait, Asim and Rath, Arup Kumar and Pal, Amlan J.} } @article {42453, title = {N-heterocyclic carbene-catalyzed cascade reaction involving the hydroacylation of unactivated alkynes}, journal = {Journal of the American Chemical Society}, volume = {132}, year = {2010}, month = {APR}, pages = {5970{\textendash}5971}, abstract = {

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

}, doi = {10.1021/ja102130s}, author = {Biju, Akkattu T. and Wurz, Nathalie E. and Glorius, Frank} } @article { ISI:000277529700013, title = {NO reduction under diesel exhaust conditions over Au/Al2O3 prepared by deposition-precipitation method}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {322}, number = {1-2}, year = {2010}, month = {MAY}, pages = {90-97}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Deposition-precipitation, Gold, In situ IR, NO reduction, XPS}, issn = {1381-1169}, doi = {10.1016/j.molcata.2010.02.024}, author = {Miguel, P. and Granger, P. and Jagtap, Neelam and Shubhangi B. Umbarkar and Dongare, Mohan K. and Dujardin, Christophe} } @article {43241, title = {Non-covalent interactions in extended systems described by the effective fragment potential method: theory and application to nucleobase oligomers}, journal = {Journal of Physical Chemistry A}, volume = {114}, year = {2010}, month = {NOV}, abstract = {The implementation of the effective fragment potential (EFP) method within the Q-CHEM electronic structure package is presented. The EFP method is used to study noncovalent π-π and hydrogen-bonding interactions in DNA strands. Since EFP is a computationally inexpensive alternative to high-level ab initio calculations, it is possible to go beyond the dimers of nucleic acid bases and to investigate the asymptotic behavior of different components of the total interaction energy. The calculations demonstrated that the dispersion energy is a leading component in π-stacked oligomers of all sizes. Exchange-repulsion energy also plays an important role. The contribution of polarization is small in these systems, whereas the magnitude of electrostatics varies. Pairwise fragment interactions (i.e., the sum of dimer binding energies) were found to be a good approximation for the oligomer energy.}, author = {Ghosh, Debashree and Kosenkov, Dmytro and Vanovschi, Vitalii and Williams, Christopher F. and Herbert, John M. and Gordon, Mark S. and Schmidt, Michael W. and Slipchenko, Lyudmila V. and Krylov, Anna I.} } @article { ISI:000277449500003, title = {Novel addition-fragmentation agent in cationic photopolymerization}, journal = {Polymer Bulletin}, volume = {65}, number = {1}, year = {2010}, month = {JUN}, pages = {25-34}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The aim of present study is to examine the photo-initiation efficiency of N,N-dimethylacrylamide-based allylic ammonium salt as one component addition-fragmentation agent (cationic photoinitiator cum radical source) in free radical accelerated cationic polymerization. Novel addition-fragmentation agent (AFA), 2-(N,N-dimethylcarboxy-3-propenyl)(phenylcarbonyl-4-phenylene) dimethyl ammonium hexafluoroantimonate (DMPDA) was synthesized as cationic photoinitiator and its initiation efficiency was examined in polymerization of cyclohexene oxide (CHO), isobutyl vinyl ether (IBVE), and n-butyl vinyl ether (n-BVE) in CH(2)Cl(2) solvent at wavelength lambda \> 290 nm. The rate of polymerization increases with the increase in initiator concentration and reaction time. The results demonstrate that DMPDA acts as an efficient photoinitiator (AFA) without use of radical source in free radical accelerated cationic polymerization.

}, keywords = {Addition-fragmentation agent, Ammonium salt, Benzophenone, Cationic polymerization, Onium salt, Photopolymerization}, issn = {0170-0839}, doi = {10.1007/s00289-009-0182-4}, author = {Gupta, Mukesh Kumar and Mehare, Rupali S. and Singh, Raj Pal} } @article { ISI:000283834100025, title = {Organocatalytic route to the synthesis of lactone moiety of compactin and mevinolin}, journal = {Tetrahedron Letters}, volume = {51}, number = {44}, year = {2010}, month = {NOV}, pages = {5838-5839}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of lactone moiety of compactin has been achieved. The stereogenic centers were generated by means of iterative proline-catalyzed sequential alpha-aminoxylation and Horner-Wadsworth-Emmons (HWE) olefination of aldehydes. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Aminoxylation, Compactin, Lactone, organocatalysis, Proline}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.08.093}, author = {Kumar, Pradeep and Pandey, Menaka and Gupta, Priti and Dhavale, Dilip D.} } @article { ISI:000285797300007, title = {Oxidation of propane to acrylic acid and acetic acid over alkaline earth-doped Mo-V-Sb-O-x catalysts}, journal = {Journal of Natural Gas Chemistry}, volume = {19}, number = {6}, year = {2010}, month = {NOV}, pages = {593-599}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Alkaline earth metal (Mg, Ca, Sr and Ba)-doped Mo-V-Sb-O-x catalysts, prepared by a dry-up method, have been investigated for their catalytic performance in the oxidation of propane under different reaction conditions. The catalysts have been characterized by N-2 adsorption-desorption, temperature-programmed desorption (TPD) of NH3, SEM and XRD. Influence of water vapor on the catalytic performance, particularly on the selectivities to acetic acid and acrylic acid, has also been studied. The selectivity to acrylic acid was improved significantly by the doping of alkaline earth metals to Mo-V-Sb-O-x catalysts. The surface acidic sites of the catalyst decreased with the doping of the catalyst with alkaline earth metals, which ultimately was found to be beneficial for obtaining high selectivity to acrylic acid. The catalytic activity and product selectivities were found to be influenced by the reaction temperature, C3H8/O-2 ratio and space velocity. A significant improvement in the selectivity to acrylic acid has also been observed by the addition of water vapor in the feed of propane and oxygen in the oxidation of propane.

}, keywords = {Acetic acid, acrylic acid, alkaline earth doped Mo-V-Sb-O-x catalysts, oxidation of propane, Surface acidity}, issn = {1003-9953}, doi = {10.1016/S1003-9953(09)60122-5}, author = {Chaudhari, Chandan S. and Sable, Shailesh S. and Gurav, Hanumant and Kelkar, Ashutosh A. and Rane, Vilas H.} } @article { ISI:000280359700010, title = {Pd-functionalized carbon nanotubes for selective hydrogenation of 2-butyne-1,4-diol}, journal = {Advanced Science Letters}, volume = {3}, number = {3}, year = {2010}, month = {SEP}, pages = {313-318}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Multiwalled carbon nanotubes were prepared by thermal decomposition method followed by acid treatment and Pd-functionalization with PdCl2 by wet impregnation method. The Pd functionlized carbon nanotubes catalyst was characterized by BET, FT-IR, Raman, XRD, EDX, ICP-OES, SEM and TEM and was evaluated for its activity for hydrogenation of 2-butyne-1,4-diol. It showed higher selectivity (93\%) to 2-butene-1,4-diol than Pd supported on commercial carbon (70\% selectivity to 2-butene-1,4-diol) for complete conversion of 2-butyne-1,4-diol. The catalyst also exhibited excellent stability as evidenced by the three catalyst recycle experiments.

}, issn = {1936-6612}, doi = {10.1166/asl.2010.1128}, author = {Nadgeri, Jayprakash M. and Garade, Ajit C. and Tambe, Romana A. and Gokhale, Suresh P. and Rode, Chandrashekhar V.} } @article { ISI:000274270100005, title = {Perturbations to Al-27 electric field gradients in nanocrystalline alpha-Al2O3 studied by high-resolution solid-state NMR}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {5}, year = {2010}, month = {FEB}, pages = {1775-1781}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Al-27 solid-state NMR has been employed to study the perturbations to Al-27 electric field gradients for the aluminum environments in nanocrystalline alpha-alumina. Triple quantum magic angle spinning experiments show that the octahedral aluminum coordination remains unchanged down to 12 nm, although severe perturbations to Al-27 electric field gradients are noticed at 28 nm and below. 3Q-MAS and SATRAS experimental data of nano alpha-alumina have been analyzed through extensive spectral simulations to probe Al-27 electric field gradients of aluminum in the grains and grain boundaries. While the aluminum in the grains has a unique field gradient tensor, the same octahedrally coordinated aluminum environments in the grain boundaries suffer a distribution of electric field gradients. This is evidenced by data analysis of both 3Q-MAS and SATRAS spectra. By invoking the Gaussian isotropic model, in which the (C-Q, eta(Q)) parameter space is discretely sampled by the Czjzek distribution, we have been able to analyze the Al-27 SATRAS spectra of nanocrystalline alpha-alumina samples having grain sizes of 52, 28, 20, and 12 nm. Good agreement between experimental and simulated spectra has led to the quantitative determination of grain and grain boundary components in these materials.

}, issn = {1520-6106}, doi = {10.1021/jp907469n}, author = {Sabarinathan, V. and Ramasamy, S. and Ganapathy, Subramanian} } @article { ISI:000275107700001, title = {Photodegradation of methanol under UV-visible irradiation by titania dispersed on polyester cloth}, journal = {Photochemistry and Photobiology}, volume = {86}, number = {2}, year = {2010}, month = {MAR}, pages = {241-246}, publisher = {WILEY-BLACKWELL PUBLISHING, INC}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Titania supported on polyester fabric (TiO(2)-PY) with varying titania loadings (2-7 wt\%) were prepared via the dip-coating method at room temperature using an aqueous slurry of anatase titania. Structural and morphological characterizations by X-ray diffraction and scanning electron microscopy revealed that the titanium dioxide crystallites deposited on the surface of the polyester fabric were in the micrometer range while their phase remained to be anatase. Photocatalytic activity of TiO(2)-PY fabric catalysts was evaluated for vapor-phase oxidation of methanol in air as a test reaction in the presence of UV as well as solar radiation under ambient conditions. These catalysts were found to be quite active in both UV and solar irradiation with activity being higher in the former case. CO(2) yield from photo-oxidation of methanol depended on titania content and also on its dispersion over polyester fabric support.

}, issn = {0031-8655}, doi = {10.1111/j.1751-1097.2009.00653.x}, author = {Bhattacharyya, Kaustava and Tripathi, Arvind K. and Gupta, Narendra M. and Tyagi, Avesh K.} } @article { ISI:000272180600002, title = {Phylogeographical studies in disjunct populations of symplocos laurina wall. using cytoplasmic PCR-RFLP approach}, journal = {Tree Genetics \& Genomes}, volume = {6}, number = {1}, year = {2010}, month = {DEC}, pages = {13-23}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Genetic variation, haplotype relationships, and potential regions of diversity in Symplocos laurina Wall. (Symplocaceae), a montane tree species from India, have been tested using molecular and biogeographical data to infer phylogeographic patterns. The polymerase chain reaction-restriction fragment length polymorphism technique was used to determine the chloroplast (cp) and mitochondrial (mt) DNA haplotypes of 218 individuals from 12 populations, collected from Northeast India (NEI), which is a part of Indo-Burma biodiversity hotspot, and South India, which includes the Western Ghats (WG), another biodiversity hotspot from India and Eastern Ghats (EG). Nine cpDNA (chlorotypes) and 24 mtDNA haplotypes (mitotypes) were identified; the WG region was identified as the most diverse for chlorotypes and the NEI region for mitotypes. Although a strong population differentiation was observed, phylogeographic structure was found to be absent for both the genomes. The haplotype network revealed the presence of two main lineages: NEI-WG lineage and EG lineage, largely without overlapping distributions. The study tests two hypotheses, namely vicariance and dispersal, to understand the distribution of plants in India. The population structure of S. laurina strongly suggests the persistence of the species in putative refugial areas preglaciation and further establishment of other populations of S. laurina from these refugial populations.

}, keywords = {Cytoplasmic genome, Genetic diversity, Phylogeography}, issn = {1614-2942}, doi = {10.1007/s11295-009-0224-y}, author = {Banu, Sofia and Lagu, Meena D. and Gupta, Vidya S.} } @article { ISI:000274292700015, title = {Polymer-supported palladium-imidazole complex catalyst for hydrogenation of substituted benzylideneanilines}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {317}, number = {1-2}, year = {2010}, month = {FEB}, pages = {111-117}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The polymer-supported palladium-imidazole complex catalyst was synthesized and characterized by various techniques Such as elemental analysis, IR spectroscopy and TG analysis. The physico-chemical properties such as bulk density, Surface studies by BET method and swelling studies of catalyst in different solvents were investigated. XPS Studies were carried out to identify the oxidation state of palladium in the catalyst. The morphology of the support and the catalyst was studied using scanning electron microscope. Using the synthesized catalyst, hydrogenation of benzylideneaniline and a few of its para Substituted derivatives was carried out at ambient conditions. The influence of variation in temperature, concentration of the catalyst as well as the substrate on the rate of reaction Was Studied. The catalyst showed an excellent recycling efficiency over six cycles without leaching of metal from the polymer support. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Benzylideneaniline, Hydrogenation, kinetics, Polymer-supported palladium-imidazole complex catalyst}, issn = {1381-1169}, doi = {10.1016/j.molcata.2009.10.030}, author = {Udayakumar, V. and Alexander, S. and Gayathri, V. and Shivakumaraiah and Patil, K. R. and Viswanathan, B.} } @article { ISI:000283531100049, title = {Probing binding preferences of DNA and RNA: backbone chirality of thioacetamido-linked nucleic acids and iso-thioacetamido-linked nucleic acids to differentiate DNA versus RNA selective binding}, journal = {Journal of Organic Chemistry}, volume = {75}, number = {21}, year = {2010}, month = {NOV}, pages = {7431-7434}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Subtle differences in RNA and DNA duplex geometry could be sensed by the changed stereochemistry at 3 {\textquoteleft}-amino function in the 5-atom thioacetamido linker of thioacetamido-linked nucleic acids and iso-thioacetamido-linked nucleic acids modified oligomers. In contrast to the preferred N-type sugar conformations for either 3 {\textquoteleft}- ribo- or xylo amino nucleosides, predominant S-type sugar conformations were found in the dimers. Although the CD spectral differences for the dimer blocks were found to be identical for those found in phosphodiester linked ribo/xylo dimers, the 5-atom thioactamido linker could reverse the RNA binding selectivity to DNA binding selectivity by the change in configuration at the 3 {\textquoteleft}-amino-substituted sugar.

}, issn = {0022-3263}, doi = {10.1021/jo1014036}, author = {Gokhale, Sachin S. and Gogoi, Khirud and Kumar, Vaijayanti A.} } @article { ISI:000281382400015, title = {Protoplast formation and regeneration in lactobacillus delbrueckii}, journal = {Indian Journal of Microbiology}, volume = {50}, number = {1}, year = {2010}, month = {MAR}, pages = {97-100}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Method for production and regeneration of Lactobacillus delbrueckii protoplasts are described. The protoplasts were obtained by treatment with a mixture of lysozyme and mutanolysin in protoplast buffer at pH 6.5 with different osmotic stabilizers. The protoplasts were regenerated on deMan, Rogosa and Sharpe (MRS) with various osmotic stabilizers. Maximum protoplast formation was obtained in protoplast buffer with sucrose as an osmotic stabilizer using a combination of lysozyme (1 mg/ml) and mutanolysin (10 mu g/ml). Maximum protoplast regeneration was obtained on MRS medium with sucrose (0.5 M) as an osmotic stabilizer. The regeneration medium was also applicable to other species of lactobacilli as well. This is, to our knowledge, the first report on protoplast formation and efficient regeneration in case of L. delbrueckii.

}, keywords = {Lactobacillus delbrueckii, Protoplast formation, Protoplast regeneration}, issn = {0046-8991}, doi = {10.1007/s12088-010-0008-y}, author = {Singhvi, Mamta and Joshi, Dipti and Gaikaiwari, Shalaka A. and Gokhale, Digambar V.} } @article { ISI:000286161600003, title = {QTL mapping of 1000-kernel weight, kernel length, and kernel width in bread wheat (Triticum aestivum L.)}, journal = {Journal of Applied Genetics}, volume = {51}, number = {4}, year = {2010}, month = {DEC}, pages = {421-429}, publisher = {POLISH ACAD SCIENCES, INST PLANT GENETICS}, address = {STRZESZYNSKA 34, POZNAN, 60-479, POLAND}, abstract = {

Kernel size and morphology influence the market value and milling yield of bread wheat (Triticum aestivum L.). The objective of this study was to identify quantitative trait loci (QTLs) controlling kernel traits in hexaploid wheat. We recorded 1000-kernel weight, kernel length, and kernel width for 185 recombinant inbred lines from the cross Rye Selection 111 x Chinese Spring grown in 2 agro-climatic regions in India for many years. Composite interval mapping (CIM) was employed for QTL detection using a linkage map with 169 simple sequence repeat (SSR) markers. For 1000-kernel weight, 10 QTLs were identified on wheat chromosomes 1A, 1D, 2B, 2D, 4B, 5B, and 6B, whereas 6 QTLs for kernel length were detected on 1A, 2B, 2D, 5A, 5B and 5D. Chromosomes 1D, 2B, 2D, 4B, 53 and 5D had 9 QTLs for kernel width. Chromosomal regions with QTLs detected consistently for multiple year-location combinations were identified for each trait. Pleiotropic QTLs were found on chromosomes 2B, 2D, 4B, and 5B. The identified genomic regions controlling wheat kernel size and shape can be targeted during further studies for their genetic dissection.

}, keywords = {composite interval mapping, kernel shape, kernel size, quantitative trait loci, Stable QTLs, Triticum aestivum}, issn = {1234-1983}, doi = {10.1007/BF03208872}, author = {Ramya, P. and Chaubal, A. and Kulkarni, K. and Gupta, L. and Kadoo, Narendra Y. and Dhaliwal, Harcharan Singh and Chhuneja, Parveen and Lagu, Meena D. and Gupta, V.} } @article { ISI:000277343900009, title = {Relatedness of Indian flax genotypes (Linum usitatissimum L.): an inter-simple sequence repeat (ISSR) primer assay}, journal = {Molecular Biotechnology}, volume = {45}, number = {2}, year = {2010}, month = {JUN}, pages = {161-170}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

The objective of this study was to analyze the genetic relationships, using PCR-based ISSR markers, among 70 Indian flax (Linum usitatissimum L.) genotypes actively utilized in flax breeding programs. Twelve ISSR primers were used for the analysis yielding 136 loci, of which 87 were polymorphic. The average number of amplified loci and the average number of polymorphic loci per primer were 11.3 and 7.25, respectively, while the percent loci polymorphism ranged from 11.1 to 81.8 with an average of 63.9 across all the genotypes. The range of polymorphism information content scores was 0.03-0.49, with an average of 0.18. A dendrogram was generated based on the similarity matrix by the Unweighted Pair Group Method with Arithmetic Mean (UPGMA), wherein the flax genotypes were grouped in five clusters. The Jaccard{\textquoteright}s similarity coefficient among the genotypes ranged from 0.60 to 0.97. When the omega-3 alpha linolenic acid (ALA) contents of the individual genotypes were correlated with the clusters in the dendrogram, the high ALA containing genotypes were grouped in two clusters. This study identified SLS 50, Ayogi, and Sheetal to be the most diverse genotypes and suggested their use in breeding programs and for developing mapping populations.

}, keywords = {ALA, Alpha linolenic acid, Diversity assessment, Linseed, Oil content, Omega-3 fatty acid}, issn = {1073-6085}, doi = {10.1007/s12033-010-9256-7}, author = {Rajwade, Ashwini V. and Arora, Ritu S. and Kadoo, Narendra Y. and Harsulkar, Abhay M. and Ghorpade, Prakash B. and Gupta, Vidya S.} } @article { ISI:000278725100023, title = {Renewable H-2 from glycerol steam reforming: effect of La2O3 and CeO2 addition to Pt/Al2O3 catalysts.}, journal = {Chemsuschem}, volume = {3}, number = {5}, year = {2010}, month = {MAY}, pages = {619-628}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Glycerol is the main byproduct of biodiesel production and its increased production volume derives from the increasing demand for biofuels. The conversion of glycerol to hydrogen-rich mixtures presents an attractive route towards sustainable biodiesel production. Here we explored the use of Pt/Al2O3-based catalysts for the catalytic steam reforming of glycerol, evidencing the influence of La2O3 and CeO2 doping on the catalyst activity and selectivity. The addition of the latter metal oxides to a Pt/Al2O3 catalyst is found to significantly improve the glycerol steam reforming, with high H-2 and CO2 selectivities. A good catalytic stability is achieved for the Pt/La2O3/Al2O3 system working at 350 degrees C, while the Pt/CeO2/Al2O3 catalyst sharply deactivates after 20 h under similar conditions. Studies carried out on fresh and exhausted catalysts reveal that both systems maintain high surface areas and high Pt dispersions. Therefore, the observed catalyst deactivation can be attributed to coke deposition on the active sites throughout the catalytic process and only marginally to Pt nanoparticle sintering. This work suggests that an appropriate support composition is mandatory for preparing high-performance Pt-based catalysts for the sustainable conversion of glycerol into syngas.

}, keywords = {biofuels, Glycerol, heterogeneous catalysis, platinum, supported catalysts}, issn = {1864-5631}, doi = {10.1002/cssc.200900243}, author = {Montini, Tiziano and Singh, Rakesh and Das, Piyali and Lorenzut, Barbara and Bertero, Nicolas and Riello, Pietro and Benedetti, Alvise and Giambastiani, Giuliano and Bianchini, Claudio and Zinoviev, Sergey and Miertus, Stanislav and Fornasiero, Paolo} } @article { ISI:000276592000007, title = {Robustness of the drosophila segment polarity network to transient perturbations}, journal = {IET Systems Biology}, volume = {4}, number = {2}, year = {2010}, month = {MAR}, pages = {169-176}, publisher = {INST ENGINEERING TECHNOLOGY-IET}, address = {MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND}, abstract = {

Continuous and Boolean models for the Drosophila segment polarity network have shown that the system is able to maintain the wild-type pattern when subjected to sustained changes in the interaction parameters and initial conditions. Embryo development is likely to occur under fluctuating environmental conditions. Here, a well-established Boolean model is used to explore the ability of the segment polarity network to resist transient changes. Paths along which alternate unviable states are reached, and hence critical nodes whose state changes lead the system away from the wild-type state, are identified. It is found that the system appears to be more sensitive to changes that involve activation of normally inactive nodes. Through a simulation of the heat shock response, it is shown how a localised perturbation in one parasegment is more deleterious than a global perturbation affecting all parasegments. The sequence of events involved in the recovery of the system from a global transient heat shock condition is identified. Finally, these results are discussed in terms of the robustness of the system response.

}, issn = {1751-8849}, doi = {10.1049/iet-syb.2009.0036}, author = {Subramanian, K. and Gadgil, Chetan J.} } @article { ISI: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.} } @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: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: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: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: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: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 {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: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: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: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: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:000279851200004, title = {Template assisted highly ordered novel self assembly of micro-reservoirs and its replication}, journal = {Lab on a Chip}, volume = {10}, number = {15}, year = {2010}, month = {JAN}, pages = {1902-1906}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel method is developed for template assisted fabrication of a regular assembly of microcavity arrays. Simple micropatterns on PDMS mold are used to create complex geometries via solvent vapor back pressure in a biodegradable polymer. Cavities are in turn replicated in complimentary PDMS mushroom like microstructures.

}, issn = {1473-0197}, doi = {10.1039/c004576d}, author = {Hire, Santosh L. and Shelke, Manjusha V. and Kale, Vinayak S. and Galopin, Elisabeth and Kulkarni, Mohan G. and Boukherroub, Rabah and Ogale, Satishchandra B.} } @article { ISI:000277203500017, title = {Template-assisted synthesis and characterization of passivated nickel nanoparticles}, journal = {Nanoscale Research Letters}, volume = {5}, number = {5}, year = {2010}, month = {MAY}, pages = {889-897}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Potential applications of nickel nanoparticles demand the synthesis of self-protected nickel nanoparticles by different synthesis techniques. A novel and simple technique for the synthesis of self-protected nickel nanoparticles is realized by the inter-matrix synthesis of nickel nanoparticles by cation exchange reduction in two types of resins. Two different polymer templates namely strongly acidic cation exchange resins and weakly acidic cation exchange resins provided with cation exchange sites which can anchor metal cations by the ion exchange process are used. The nickel ions which are held at the cation exchange sites by ion fixation can be subsequently reduced to metal nanoparticles by using sodium borohydride as the reducing agent. The composites are cycled repeating the loading reduction cycle involved in the synthesis procedure. X-Ray Diffraction, Scanning Electron Microscopy, Transmission Electron microscopy, Energy Dispersive Spectrum, and Inductively Coupled Plasma Analysis are effectively utilized to investigate the different structural characteristics of the nanocomposites. The hysteresis loop parameters namely saturation magnetization and coercivity are measured using Vibrating Sample Magnetometer. The thermomagnetization study is also conducted to evaluate the Curie temperature values of the composites. The effect of cycling on the structural and magnetic characteristics of the two composites are dealt in detail. A comparison between the different characteristics of the two nanocomposites is also provided.

}, keywords = {Nickel nanoparticles, Polymer-metal nanocomposites, Strongly acidic cation exchange resin, Stuctural and magnetic properties, Weakly acidic cation exchange resin}, issn = {1556-276X}, doi = {10.1007/s11671-010-9580-7}, author = {Gopalan, E. Veena and Malini, K. A. and Santhoshkumar, G. and Narayanan, T. N. and Joy, Pattayil Alias and Al-Omari, I. A. and Kumar, D. Sakthi and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000275969800001, title = {Transport of yttrium metal ions through fibers supported liquid membrane solvent extraction}, journal = {Journal of Rare Earths}, volume = {28}, number = {1}, year = {2010}, month = {FEB}, pages = {1-6}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel idea of transport of yttrium (III) metal ions through fibers supported liquid membrane in two stage processes namely source to membrane and membrane to receiving phase has been proposed. The fibers supported liquid membrane was impregnated with different concentrations carrier. The experimental variables explored were concentration of yttrium (III) ions, pH of source phase, PC-88A concentration in membrane phase, acid concentration in receiving phase and stirring speed. The pre-concentration of yttrium MO ions was investigated from the dilute solutions. The two-channel fibers supported liquid membrane solvent extraction was investigated for the transport of yttrium (III) ions from the source to membrane and membrane to receiving phase. The transport of yttrium (III) ions was observed through the fibers supported liquid membrane with capillary action.

}, keywords = {channel, extraction, fibers supported liquid membrane solvent extraction, PC-88A, rare earths, stripping, yttrium metal ion}, issn = {1002-0721}, doi = {10.1016/S1002-0721(09)60038-7}, author = {Gaikwad, Abaji G. and Rajput, A. M.} } @article { ISI:000293064700010, title = {Uncatalyzed synthesis of thiomorpholide using polyethylene glycol as green reaction media}, journal = {Green Chemistry Letters and Reviews}, volume = {3}, number = {4}, year = {2010}, month = {DEC}, pages = {315-318}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Polyethylene glycol-600 was used as an efficient and recyclable solvent for the one-pot three component condensation reactions of aryl alkyl ketones, sulfur, and morpholine to produce the corresponding thiomorpholide. This protocol has advantages of high yields, short reaction times, mild reaction conditions, minimal environmental pollution, and simple work up procedure. [GRAPHICS] .

}, keywords = {polyethylene glycol-600, Sulfur, thiomorpholide, Willgerodt-Kindler reaction}, issn = {1751-8253}, doi = {10.1080/17518253.2010.486772}, author = {Gawande, Shrikant S. and Bandgar, Babasaheb P. and Kadam, Prasad D. and Sable, Shailesh S.} } @article { ISI:000273084000005, title = {Understanding the genetic structure of symplocos laurina wall. populations using nuclear gene markers}, journal = {Genetica}, volume = {138}, number = {2}, year = {2010}, month = {FEB}, pages = {197-210}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

To characterize the genetic diversity of present populations of Symplocos laurina, which grow in the montane forests in India, we analyzed the DNA sequences of a nuclear gene. Using the 881 bp sequence of cytosolic Glyceraldehyde-3-phosphate dehydrogenase gene, we detected 24 haplotypes among 195 individuals sampled from 14 populations. Two dominant haplotypes were distributed over the entire range of this species in India and several private haplotypes were found. Low genetic diversity within population, high differentiation, number of population specific haplotypes and deviation from neutral evolution characterized the present populations of S. laurina. An analysis of molecular variance indicated the presence of geographic structure within the haplotype distribution. The occurrence of S. laurina preglaciation in India is the most parsimonious explanation for the current geographic structure observed. The populations are presumably ancient and might have spread across its extant distribution range in India through a recent range expansion event.

}, keywords = {GapC, Genetic diversity, Glaciation, Refugium}, issn = {0016-6707}, doi = {10.1007/s10709-009-9410-y}, author = {Banu, Sofia and Bhagwat, Rasika M. and Kadoo, Narendra Y. and Lagu, Meena D. and Gupta, V. S.} } @article { ISI:000282830500007, title = {Unusual central indian drought of summer monsoon 2008: role of southern tropical indian ocean warming}, journal = {Journal of Climate}, volume = {23}, number = {19}, year = {2010}, month = {OCT}, pages = {5163-5174}, publisher = {AMER METEOROLOGICAL SOC}, address = {45 BEACON ST, BOSTON, MA 02108-3693 USA}, abstract = {

While many of the previous positive Indian Ocean dipole (IOD) years were associated with above (below)normal monsoon rainfall over central (southern) India during summer monsoon months [June-September (JJAS)], the IOD event in 2008 is associated with below (above)-normal rainfall in many parts of central (southern peninsular) India. Because understanding such regional organization is a key for success in regional prediction, using different datasets and atmospheric model simulations, the reasons for this abnormal behavior of the monsoon in 2008 are explored. Compared to normal positive IOD events, sea surface temperature (SST) and rainfall in the southern tropical Indian Ocean (STIO) in JJAS 2008 were abnormally high. Downwelling Rossby waves and oceanic heat advection played an important role in warming SST abnormally in the STIO. It was also found that the combined influence of a linear warming trend in the tropical Indian Ocean and warming associated with the IOD have resulted in abnormal warming of the STIO. This abnormal SST warming resulted in enhancement of convection in the southwest tropical Indian Ocean and forced anticyclonic circulation anomalies over the Bay of Bengal and central India, leading to suppressed rainfall over this region in JJAS 2008. The above mechanism is tested by conducting several model sensitivity experiments with an atmospheric general circulation model (AGCM). These experiments confirmed that the subsidence over central India and the Bay of Bengal was forced mainly by the anomalous warming in the STIO region driven by coupled ocean-atmosphere processes. This study provides the first evidence of combined Indian Ocean warming, associated with global warming, and IOD-related warming influence on Indian summer monsoon rainfall. The combined influence may force below-normal rainfall over central India by inducing strong convection in the STIO region. The conventional seesaw in convection between the Indian subcontinent and the eastern equatorial Indian Ocean may shift to the central equatorial Indian Ocean and the Bay of Bengal if the central Indian Ocean consistently warms in the global warming scenario.

}, issn = {0894-8755}, doi = {10.1175/2010JCLI3257.1}, author = {Rao, Suryachandra A. and Chaudhari, Hemantkumar S. and Pokhrel, Samir and Goswami, B. N.} } @article { ISI:000273709900033, title = {Vice to virtue: intracellular biogenic nanoparticles for the generation of carbon supported catalysts}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {10}, number = {2}, year = {2010}, month = {FEB}, pages = {905-911}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Intracellular biogenic nanoparticles are considered disadvantageous as the separation of the nanoparticles from the biomass becomes intricate. However realizing the importance of carbon supported catalyst for many important organic reactions we envisaged these nanoparticles as a source for carbon supported catalyst. Herein we demonstrate the heat treatment of intracellular biogenic nanoparticles under inert atmosphere as an efficient method for the preparation of carbon supported metal oxide catalysts. Aspergillus ochraceus, a fungus isolated from foundries, on incubation with K(2)TiF(6) led to the synthesis of intracellular titanium oxide nanoparticles. The nanoparticles embedded biomass upon heat treatment at 600 degrees C in a nitrogen environment gave titanium oxide nanoparticles implanted in a carbonaceous matrix. The material thus formed was characterized using FTIR spectroscopy, Raman spectroscopy, HRTEM and X-ray diffraction. Appreciable benzaldehyde selectivity was observed when styrene oxidation was carried out over such immobilized catalysts. The conversion rate was determined to be 76\% and the benzaldehyde selectivity was greater than 80\%.

}, keywords = {Benzaldehyde Selectivity, Biosynthesis, Carbon Supported Titania, Nanoparticles, Styrene Oxidation}, issn = {1533-4880}, doi = {10.1166/jnn.2010.1894}, author = {Vijayakumar, P. S. and Selvakumar, S. and Gholap, Ramkrishna S. and Singh, A. P. and Bhagavatula L. V. Prasad} } @article { ISI:000284555600009, title = {Water-induced switching of beta-structure to polyproline II conformation in the 4s-aminoproline polypeptide via H-bond rearrangement}, journal = {Organic Letters}, volume = {12}, number = {23}, year = {2010}, month = {DEC}, pages = {5390-5393}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

4S-Aminoproline polypeptide 2 forms unusual beta-structure in trifluoroethanol that switches to the polyproline II (PPII) form in aqueous medium. while 4R-aminoproline peptide 1 retains PPII form in both solvents. This first instance of a polyproline derivative showing a beta-structure is attributed to competitive pH-dependent (4-NH3+/NH2) stereoelectronic effect (4R vs 4S) and the overriding importance of stercospecific intra/intermolecular H-bonding in (2,4)-cis-4S-aminoproline in contrast to (2,4)-trans-4R-aminoproline oligomers.

}, issn = {1523-7060}, doi = {10.1021/ol1021993}, author = {Sonar, Mahesh V. and Ganesh, Krishna N.} } @article { ISI:000276917900011, title = {ZnO-beta zeolite: as an effective and eco-friendly heterogeneous catalyst for the synthesis of benzothiazole derivatives}, journal = {Chinese Chemical Letters}, volume = {21}, number = {4}, year = {2010}, month = {APR}, pages = {421-425}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

A cheap and recyclable ZnO-beta zeolite was used as catalyst for the synthesis of benzothiazole derivatives. This method provides several advantages such as environmental friendliness, short reaction times, high yields, simple work-up procedure and catalyst was successfully reused for four cycles without significant loss of activity. (C) 2009 Machhindra K. Lande. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

}, keywords = {Benzothiazole, cyclocondensation, heterogeneous catalyst, ZnO-beta zeolite}, issn = {1001-8417}, doi = {10.1016/j.cclet.2009.10.020}, author = {Katkar, Santosh S. and Mohite, Pravinkumar H. and Gadekar, Lakshman S. and Vidhate, Kaluram N. and Lande, Machhindra K.} } @article { ISI:000293064700006, title = {ZnO-beta zeolite: as an effective and reusable heterogeneous catalyst for the one-pot synthesis of polyhydroquinolines}, journal = {Green Chemistry Letters and Reviews}, volume = {3}, number = {4}, year = {2010}, month = {DEC}, pages = {287-292}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

ZnO-beta zeolite, an inexpensive and mild catalyst, has been used for the synthesis of polyhydroquinolines in excellent yields from the one-pot four-component condensation of aldehydes, dimedone, ethyl acetoacetate, and ammonium acetate in ethanol at room temperature. The remarkable advantages offered by this method are a green catalyst, mild reaction conditions, simple work-up procedures, much faster reactions, and excellent yield of products. Furthermore, the catalyst could be reused several times keeping its initial activity in recycled reactions.

}, keywords = {Hantzsch condensation, heterogeneous catalyst, multicomponent, ZnO-beta zeolite}, issn = {1751-8253}, doi = {10.1080/17518253.2010.482065}, author = {Katkar, Santosh S. and Mohite, Pravinkumar H. and Gadekar, Lakshman S. and Arbad, Balasaheb R. and Lande, Machhindra K.} } @article { ISI:000276548300011, title = {ZnO-beta zeolite mediated simple and efficient method for the one-pot synthesis of quinoxaline derivatives at room temperature}, journal = {Central European Journal of Chemistry}, volume = {8}, number = {2}, year = {2010}, month = {APR}, pages = {320-325}, publisher = {VERSITA}, address = {SOLIPSKA 14A-1, 02-482 WARSAW, POLAND}, abstract = {

A rapid and an efficient one-pot method for the synthesis of quinoxalines catalysed by ZnO-beta zeolite at room temperature is described. This environmentally benign method provides several advantages over methods that are currently employed such as a simple work-up, mild reaction conditions, good to excellent yields, and a process to recover and reuse the catalyst for several cycles with consistent activity.

}, keywords = {cyclocondensation, Quinoxaline, Room temperature, ZnO-beta zeolite}, issn = {1895-1066}, doi = {10.2478/s11532-009-0151-7}, author = {Katkar, Santosh S. and Mohite, Pravinkumar H. and Gadekar, Lakshman S. and Arbad, Balasaheb R. and Lande, Machhindra K.} } @article { ISI:000293087200006, title = {Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone}, journal = {New Journal of Chemistry}, volume = {35}, number = {8}, year = {2011}, month = {MAY}, pages = {1615-1623}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Crystal engineering based on halogen bonding together with host-guest interactions of water molecules via H-bonding, stabilizing supramolecular architecture in chloro 1, bromo 2 and iodo 3 oximes of lawsone, is discussed. 1 and 2 crystallize in orthorhombic, non-centrosymmetric space group Pna2(1) while 3 crystallizes in monoclinic P2(1)/n space group. Non-covalent competitive interactions of asymmetric solvation and halogen bonding can have a large influence on the spin distribution in 1, 2 and 3 derivatives of spin carrier lawsone live polymer as revealed by single crystal X-ray and EPR studies. The significant C3-Cl/Br center dot center dot center dot O, C3-Cl/Br center dot center dot center dot H, O-H center dot center dot center dot O-C, C-H center dot center dot center dot pi and pi center dot center dot center dot pi interactions have been identified in the molecular assemblies leading to net magnetostructures of halo-oximes. Dimer-of-dimer-type tetrameric radical assembly of 3 and interacting bi- and monoradical chain on 2(1) axis in 1 and 2 have been identified. The proton-coupled electron transfers possibly govern the antioxidant nature in halooximes of spin carrier lawsone in terms of oxygen reduction to water molecules. Such activity is found to be directly proportional to the spin (radical) concentrations in 1 to 3 and increases in order 1 \< 2 \< 3 according to halogen bonding effect. The antioxidant chemical DPPH assays for scavenging of such free radicals result in similar trend of increasing order like 1 \< 2 \< 3, but the chemical in vitro as well as ex vivo SOD antioxidant activities and biological anticancer activity on MCF-7, Hela and HL-60 cell lines show the increasing order 3 \< 2 \< 1 according to H-bonding effect. This probably could be attributed to the conversion of superoxide radical ions into H(2)O(2), which leads to greater oxidative stress leading to apoptosis.

}, issn = {1144-0546}, doi = {10.1039/c1nj20176j}, author = {Zaware, Santosh B. and Gonnade, Rajesh G. and Srinivas, Darbha and Khan, Ayesha A. and Rane, Sandhya Y.} } @article { ISI:000296414700021, title = {Assimilatory potential of helicoverpa armigera reared on host (chickpea) and nonhost (cassia tora) diets}, journal = {Journal of Proteome Research}, volume = {10}, number = {11}, year = {2011}, month = {NOV}, pages = {5128-5138}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Adaptation to plant allelochemicals is a crucial aspect of herbivore chemical ecology. To understand an insect ecology, we studied an effect of nonhost Cassia tora seed-based diet (Ct) on growth, development, and molecular responses in Helicoverpa armigera. We employed a comparative approach to investigate the proteomic differences in gut, hemolymph, and frass of H. armigera reared on a normal (chickpea seed-based, Cp) and Ct diet. In this study, a total of 46 proteins were identified by nano-LC-MS(E). Among them, 17 proteins were up-regulated and 29 proteins were down-regulated when larvae were exposed to the Ct diet. Database searches combined with GO analysis revealed that gut proteases engrossed in digestion, proteins crucial for immunity, adaptive responses to stress, and detoxification were down-regulated in the Ct fed larvae. Proteins identified in H. armigera hemolymph were found to be involved in defense mechanisms. Moreover, proteins found in frass of the Ct fed larvae were observed to participate in energy metabolism. Biochemical and quantitative real-time PCR analysis of selected candidate proteins showed differential gene expression patterns and corroborated with the proteomic data. Our results suggest that the Ct diet could alter expression of proteins related to digestion, absorption of nutrients, adaptation, defense mechanisms, and energy metabolism in H. armigera.

}, keywords = {adaptation, Cassia tora, Gene expression, Helicoverpa armigera, proteomics}, issn = {1535-3893}, doi = {10.1021/pr200591m}, author = {Dawkar, Vishal V. and Chikate, Yojana R. and Gupta, Vidya S. and Slade, Susan E. and Giri, Ashok P.} } @article { ISI:000289367200026, title = {Atomic level description of the domain closure in a dimeric enzyme: thermus thermophilus 3-isopropylmalate dehydrogenase}, journal = {Molecular Biosystems}, volume = {7}, number = {5}, year = {2011}, month = {MAR}, pages = {1646-1659}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The domain closure associated with the catalytic cycle is described at an atomic level, based on pairwise comparison of the X-ray structures of homodimeric Thermus thermophilus isopropylmalate dehydrogenase (IPMDH), and on their detailed molecular graphical analysis. The structures of the apo-form without substrate and in complex with the divalent metal-ion to 1.8 angstrom resolution, in complexes with both Mn(2+) and 3-isopropylmalate (IPM), as well as with both Mn(2+) and NADH, were determined at resolutions ranging from 2.0 to 2.5 angstrom. Single crystal microspectrophotometric measurements demonstrated the presence of a functionally competent protein conformation in the crystal grown in the presence of Mn(2+) and IPM. Structural comparison of the various complexes clearly revealed the relative movement of the two domains within each subunit and allowed the identification of two hinges at the interdomain region: hinge 1 between alpha d and beta F as well as hinge 2 between alpha h and beta E. A detailed analysis of the atomic contacts of the conserved amino acid side-chains suggests a possible operational mechanism of these molecular hinges upon the action of the substrates. The interactions of the protein with Mn(2+) and IPM are mainly responsible for the domain closure: upon binding into the cleft of the interdomain region, the substrate IPM induces a relative movement of the secondary structural elements beta E, beta F, beta G, alpha d and alpha h. A further special feature of the conformational change is the movement of the loop bearing the amino acid Tyr139 that precedes the interacting arm of the subunit. The tyrosyl ring rotates and moves by at least 5 angstrom upon IPM-binding. Thereby, new hydrophobic interactions are formed above the buried isopropyl-group of IPM. Domain closure is then completed only through subunit interactions: a loop of one subunit that is inserted into the interdomain cavity of the other subunit extends the area with the hydrophobic interactions, providing an example of the cooperativity between interdomain and intersubunit interactions.

}, issn = {1742-206X}, doi = {10.1039/c0mb00346h}, author = {Graczer, Eva and Merli, Angelo and Singh, Rajesh Kumar and Karuppasamy, Manikandan and Zavodszky, Peter and Weiss, Manfred S. and Vas, Maria} } @article { ISI:000292333103041, title = {Atomic level description of the domain closure in a dimeric enzyme: thermus thermophilus 3-isopropylmalate dehydrogenase (IPMDH)}, journal = {FEBS Journal}, volume = {278}, number = {1, SI}, year = {2011}, note = {36th FEBS Congress of the Biochemistry for Tomorrows Medicine, Torino, ITALY, JUN 25-30, 2011}, month = {JUN}, pages = {458}, publisher = {Federat Soc Biochem \& Mol Biol}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, issn = {1742-464X}, author = {Graczer, E. and Merli, Angelo and Singh, R. K. and Karuppasamy, Manikandan and Zavodszky, P. and Weiss, M. S. and Vas, M.} } @article {42570, title = {Auxin signaling and transport promote susceptibility to the root-infecting fungal pathogen fusarium oxysporum in arabidopsis}, journal = {Molecular Plant-Microbe Interactions}, volume = {24}, year = {2011}, month = {JUN}, pages = {733-748}, doi = {10.1094/MPMI-08-10-0194}, author = {Kidd, Brendan N. and Kadoo, Narendra Y. and Dombrecht, Bruno and Tekeoglu, Muecella and Gardiner, Donald M. and Thatcher, Louise F. and Aitken, Elizabeth A. B. and Schenk, Peer M. and Manners, John M. and Kazan, Kemal} } @article { ISI:000299148200039, title = {Azide derivatized anticancer agents of vitamin K-3: X-ray structural, DSC, resonance spectral and API studies}, journal = {Journal of Molecular Structure}, volume = {1006}, number = {1-3}, year = {2011}, month = {DEC}, pages = {288-296}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Compound 1 [1-imino (acetyl hydrazino)-Vitamin K-3], displays valence tautomerically related electronic isomers as Form land Form II. Form I exhibits 2D packing fragment with 1D ribbon chains of N-H center dot center dot center dot O hydrogen bonds and shows EPR silent features. While Form II is EPR active and exhibits biradical nature with double quantum transitions at g = 2.0040. H-1 NMR of compound 2, [1-imino (hydrazino carboxylate)-Vitamin K-3] and Form II exhibit pi delocalization via resonance assisted H-bonding [RAHB] effect compared to Form I. Molecular interactions in Form I and II are visualized by DSC. The electronic structures of compounds 1 and 2 have been correlated to their API values by measuring anticancer activities, mitochondrial potentials and DNA shearing patterns. Form II and compound 2 indicate mitochondria mediated apoptosis (similar to 75\% cell death) while Form I causes 35\% cell death. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Anticancer agents, API (Active Pharmaceutical Ingredients), Electronic isomers, RAHB (resonance assisted H-bonding), Vitamin K-3}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2011.09.022}, author = {Badave, Kirti D. and Patil, Yogesh and Gonnade, Rajesh G. and Srinivas, Darbha and Dasgupta, Rajan and Khan, Ayesha A. and Rane, Sandhya} } @article { ISI:000291879600008, title = {Biochemical characterisation of alpha-amylase inhibitors from achyranthes aspera and their interactions with digestive amylases of coleopteran and lepidopteran insects}, journal = {Journal of the Science of Food and Agriculture}, volume = {91}, number = {10}, year = {2011}, month = {AUG}, pages = {1773-1780}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

BACKGROUND: Starchy seeds are an important food and a source of dietary ingredients in many countries. However, they suffer from extensive predation by bruchids (weevils) and other pests. alpha-Amylase inhibitors are attractive candidates for the control of seed weevils, as these insects are highly dependent on starch as an energy source. RESULTS: A proteinaceous alpha-amylase inhibitor from the seeds of Achyranthes aspera was identified, purified and characterised. In electrophoretic analysis, two prominent amylase inhibitor activity bands (AI1 and AI2) were detected. The inhibitor was purified 9.99-fold with 1206.95 total amylase inhibitor units mg(-1) protein. The molecular weight of the purified inhibitor was around 6 kDa. The isolated alpha-amylase inhibitor was found to be resistant to heat and proteolysis. Feeding analysis of Callosobruchus maculatus larvae on a diet containing seed powder of A. aspera revealed that survival of the larvae was severely affected, with the highest mortality rate occurring on the fifth day of feeding. The isolated inhibitor inhibited the majority of amylase isoforms of C. maculatus, Tribolium confusum and Helicoverpa armigera in electrophoretic analysis and solution assays. CONCLUSION: The information obtained in the present investigation could be useful for a genetic engineering approach that would make seeds resistant to storage pest infestations. (C) 2011 Society of Chemical Industry

}, keywords = {Achyranthes aspera, Amylase inhibitors, amylases, Callosobruchus maculatus, Tribolium confusum}, issn = {0022-5142}, doi = {10.1002/jsfa.4380}, author = {Hivrale, Vandana K. and Chougule, Nanasaheb P. and Giri, Ashok P. and Chhabda, Pavan J. and Kachole, Andmanvendra S.} } @article {42767, title = {Bioresponsive mesoporous silica nanoparticles for triggered drug release}, journal = {Journal of the Americal Chemical Society}, volume = {133}, year = {2011}, month = {DEC}, pages = {19582-19585}, doi = {10.1021/ja206998x}, author = {Singh, Neetu and Karambelkar, Amrita and Gu, Luo and Lin, Kevin and Miller, Jordan S. and Chen, Christopher S. and Sailor, Michael J. and Bhatia, Sangeeta N.} } @article {42530, title = {Borazine as a sensor for fluoride ion: a computational and experimental study}, journal = {Tetrahedron Letters}, volume = {52}, year = {2011}, month = {MAY}, pages = {3636{\textendash}3639}, abstract = {

The computational and experimental studies have revealed that even simple molecule like borazine can act as a sensor for fluoride ions. This study further reported the various binding modes of analytes using quantum chemical calculations and the nature of such interactions have been examined using electron density surface analysis. Total charge transfer analysis (qCT) correlates well with the binding affinities of analytes with the borazine receptor.

}, doi = {10.1016/j.tetlet.2011.05.018}, author = {Kesharwani, Manoj K. and Suresh, Moorthy and Das, Amitava and Ganguly, Bishwajit} } @article {42745, title = {Catalytic dehydroaromatization of n-alkanes by pincer-ligated iridium complexes}, journal = {Nature Chemistry}, volume = {3}, year = {2011}, month = {DEC}, pages = {167{\textendash}171}, abstract = {

Aromatic hydrocarbons are among the most important building blocks in the chemical industry. Benzene, toluene and xylenes are obtained from the high temperature thermolysis of alkanes. Higher alkylaromatics are generally derived from arene{\textendash}olefin coupling, which gives branched products{\textemdash}that is, secondary alkyl arenes{\textemdash}with olefins higher than ethylene. The dehydrogenation of acyclic alkanes to give alkylaromatics can be achieved using heterogeneous catalysts at high temperatures, but with low yields and low selectivity. We present here the first catalytic conversion of n-alkanes to alkylaromatics using homogeneous or molecular catalysts{\textemdash}specifically {\textquoteleft}pincer{\textquoteright}-ligated iridium complexes{\textemdash}and olefinic hydrogen acceptors. For example, the reaction of n-octane affords up to 86\% yield of aromatic product, primarily o-xylene and secondarily ethylbenzene. In the case of n-decane and n-dodecane, the resulting alkylarenes are exclusively unbranched (that is, n-alkyl-substituted), with selectivity for the corresponding o-(n-alkyl)toluene.

}, doi = {10.1038/nchem.946}, author = {Ahuja, Ritu and Punji, Benudhar and Findlater, Michael and Supplee, Carolyn and Schinski, William and Brookhart, Maurice and Goldman, Alan S.} } @article { ISI:000296527900089, title = {Ceria-zirconia mixed oxides as thermal resistant catalysts for the decomposition of nitrous oxide at high temperature}, journal = {Catalysis Today}, volume = {176}, number = {1}, year = {2011}, note = {2nd International Symposium on Air Pollution Abatement Catalysis (APAC), Cracow, POLAND, SEP 08-11, 2011}, month = {NOV}, pages = {453-457}, publisher = {French GDFSUEZ Co}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This present study deals with the development of thermally stable catalysts for the decomposition of nitrous oxide. There is actually a growing interest to minimise the emissions of nitrous oxide (N(2)O) as side-product from nitric acid plants due to a global warming potential of approximately 300 times higher than that of CO(2). Different strategies have already been implemented at industrial scale but they are still suffering from significant drawbacks essentially associated to a poor selectivity and sometimes a short lifetime in particular when the catalytic process is inserted downstream the ammonia burner. In those critical conditions, with high residual temperature of similar to 900 degrees C, significant surface and bulk reconstructions take place and then lead to drastic losses of specific surface area and related catalytic performances in the decomposition of N(2)O to N(2). Previous investigations performed in our laboratory revealed the potentiality of zirconia particularly after yttria incorporation [Appl. Catal. B 62 (2005) 236]. Novel developments of more stable ceria-zirconia based catalysts are reported in this study. Further stabilisation and enhancement in activity have been discussed on the basis of oxygen mobility related to structural properties. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Ceria-zirconia based catalysts, Greenhouse gas, N(2)O catalytic decomposition, Nitric acid plant, Nitrous oxide}, issn = {0920-5861}, doi = {10.1016/j.cattod.2010.10.068}, author = {Esteves, P. and Wu, Y. and Dujardin, Christophe and Dongare, Mohan K. and Granger, P.} } @article { ISI:000286829500001, title = {Chromatographic separations of zinc, iron and copper metal ions through cellulose poroussolid fiber supported solid membrane in mixedsolvent systems}, journal = {Chemical Engineering Communications}, volume = {198}, number = {6}, year = {2011}, month = {JAN}, pages = {PII 932740676}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

An interesting aspect of chromatographic separation of zinc, iron, and copper metal ions through a cellulose porous solid fiber supported solid membrane from source solution to receiving phase has been explored in mixed solvent systems. The cellulose porous solid fiber supported solid membrane was prepared by chemically immobilizing tartaric acid. The experimental variables explored were concentration of copper, zinc, and iron metal ions, hydrochloric acid, composition of mixed solvents, and stirring speed. The efficiency of a cellulose porous solid fiber supported solid membrane system has been evaluated for the separation of metal ions. The pre-concentration of metal ions was carried out from the dilute solutions. The two-channel chromatographic cellulose porous solid fiber supported solid membrane system has been investigated for the transport of metal ions from the source solution to receiving phase. The capillary action phenomenon in the cellulose micro fibers plays a significant and active role in the transport of ions through the cellulose porous solid fiber supported solid membrane in mixed solvents.

}, keywords = {and iron ions: Single- and double-channel membrane system, Cellulose porous solid fiber supported solid membrane, Copper, zinc}, issn = {0098-6445}, doi = {10.1080/00986445.2011.534007}, author = {Gaikwad, Abaji G.} } @article { ISI:000286834600005, title = {Combined strategy for the dispersion/dissolution of single walled carbon nanotubes and cellulose in water}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {7}, year = {2011}, month = {JAN}, pages = {2054-2056}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Co-dispersion of native cellulose and single walled carbon nanotubes in water is demonstrated. The pH of the water should be between 6 and 10 for better dispersion. Raman spectra confirm debundling of nanotubes in water and FTIR spectra reveal that the co-solubility is likely caused through disruption of intramolecular hydrogen bonds in the cellulose by hydroxyl groups present on nanotubes surface and the creation of intermolecular hydrogen bonds between cellulose and carbon nanotubes. This is a very simple method for co-dispersion/dissolution of nanotubes and cellulose in water without covalent modifications and expands the repertoire of nanotube modification strategies that are amenable to biological applications.

}, issn = {0959-9428}, doi = {10.1039/c0jm03186k}, author = {Adsul, Mukund G. and Rey, Diego A. and Gokhale, Digambar V.} } @article {43255, title = {Comparative genomics of the pathogenic ciliate Ichthyophthirius multifiliis, its free-living relatives and a host species provide insights into adoption of a parasitic lifestyle and prospects for disease control}, journal = {Genome Biology}, volume = {12}, year = {2011}, month = {OCT}, pages = {Article Number: R100}, abstract = {Background: Ichthyophthirius multifiliis, commonly known as Ich, is a highly pathogenic ciliate responsible for {\textquoteright}white spot{\textquoteright}, a disease causing significant economic losses to the global aquaculture industry. Options for disease control are extremely limited, and Ich{\textquoteright}s obligate parasitic lifestyle makes experimental studies challenging. Unlike most well-studied protozoan parasites, Ich belongs to a phylum composed primarily of free-living members. Indeed, it is closely related to the model organism Tetrahymena thermophila. Genomic studies represent a promising strategy to reduce the impact of this disease and to understand the evolutionary transition to parasitism. Results: We report the sequencing, assembly and annotation of the Ich macronuclear genome. Compared with its free-living relative T. thermophila, the Ich genome is reduced approximately two-fold in length and gene density and three-fold in gene content. We analyzed in detail several gene classes with diverse functions in behavior, cellular function and host immunogenicity, including protein kinases, membrane transporters, proteases, surface antigens and cytoskeletal components and regulators. We also mapped by orthology Ich{\textquoteright}s metabolic pathways in comparison with other ciliates and a potential host organism, the zebrafish Danio rerio. Conclusions: Knowledge of the complete protein-coding and metabolic potential of Ich opens avenues for rational testing of therapeutic drugs that target functions essential to this parasite but not to its fish hosts. Also, a catalog of surface protein-encoding genes will facilitate development of more effective vaccines. The potential to use T. thermophila as a surrogate model offers promise toward controlling {\textquoteright}white spot{\textquoteright} disease and understanding the adaptation to a parasitic lifestyle.}, doi = {10.1186/gb-2011-12-10-r100}, author = {Coyne, Robert S. and Hannick, Linda and Shanmugam, Dhanasekaran and Hostetler, Jessica B. and Brami, Daniel and Joardar, Vinita S. and Johnson, Justin and Radune, Diana and Singh, Irtisha and Badger, Jonathan H. and Kumar, Ujjwal and Saier, Milton and Wang, Yufeng and Cai, Hong and Gu, Jianying and Mather, Michael W. and Vaidya, Akhil B. and Wilkes, David E. and Rajagopalan, Vidyalakshmi and Asai, David J. and Pearson, Chad G. and Findly, Robert C. and Dickerson, Harry W. and Wu, Martin and Martens, Cindy and Van de Peer, Yves and Roos, David S. and Cassidy-Hanley, Donna M. and Clark, Theodore G.} } @article { ISI:000291194800029, title = {Comparative production of cellulases by mutants of penicillium janthinellum NCIM 1171 and its application in hydrolysis of avicel and cellulose}, journal = {Bioresource Technology}, volume = {102}, number = {11}, year = {2011}, month = {JUN}, pages = {6569-6572}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Mutants of Penicillium janthinellum NCIM 1171 were evaluated for cellulase production using both submerged fermentation (SmF) and solid state fermentation (SSF). Mutant EU2D-21 gave highest yields of cellulases in both SmF and SSF. Hydrolysis of Avicel and cellulose were compared using SmF and SSF derived enzyme preparations obtained from EU2D-21. Surprisingly, the use of SSF derived preparation gave less hydrolysis compared to SmF derived enzymes. This may be due to inactivation of beta-glucosidase at 50 degrees C in SSF derived enzyme preparations. SmF derived enzyme preparations contained both thermostable and thermosensitive beta-glucosidases where as SSF derived enzyme preparations contained predominantly thermosensitive beta-glucosidase. This is the first report on less thermostability of SSF derived p-glucosidase which is the main reason for getting less hydrolysis. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {beta-Glucosidase thermostability, Mutant EU2D-21, Solid state fermentation, Submerged fermentation}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.01.014}, author = {Singhvi, M. S. and Adsul, Mukund G. and Gokhale, D. V.} } @article {42532, title = {Comparative study of porphyrin derivatives in monolayers at the air-water interface and in langmuir-blodgett films}, journal = {Thin Solid Films}, volume = {519}, year = {2011}, month = {MAR}, pages = {8066{\textendash}8073}, abstract = {

The orientation and aggregation of various porphyrin derivatives at the air{\textendash}water interface and in Langmuir{\textendash}Blodgett films were investigated. Monolayer properties of these molecules, where long alkyl chain(s) were covalently bound through different functionality of varying hydrophilicity were studied by measuring surface pressure area isotherms. Such derivatives, where ether functionality (functionalities) was (were) used for linking long alkyl chain(s), did not form uniform monolayer; instead they were found to form multilayer clusters or aggregates on the water surface. On the other hand, porphyrin derivative functionalized at the four peripheral phenyl rings with eight hexadecyl ether chains formed stable spherical vesicles when deposited on mica. Tetra N-alkyl pyridinium porphyrins with long alkyl chain were found to form various phases on the water surface. Evidence of transition from horizontal orientation to vertical orientation of porphyrin rings of porphyrin molecules having C14 chains was observed. This type of transition was lost with the porphyrin molecule with a relatively smaller chain (C8).

}, doi = {10.1016/j.tsf.2011.02.082}, author = {Ghosh, Amrita and Mahato, Prasenjit and Choudhury, Sipra and Das, Amitava} } @article {42538, title = {Competitive binding of Ba2+and Sr2+ to 18-crown-6 in a receptor with a 1-methoxyanthraquinone analogue as the other binding site}, journal = {Europian Journal of Inorganic Chemistry}, year = {2011}, month = {OCT}, pages = {4680{\textendash}4690}, abstract = {

Owing to their immense biological significance, development of sensors for the selective detection of alkaline earth metal ions has attracted vast research interest. In this article we have reported the synthesis, characterisation and ion binding studies of a new RuII-polypyridyl-crown-anthraquinone complex (5). Studies confirm selective binding of BaII, SrII and CaII ions, with Kmath image \> Kmath image \>\> Kmath image, over all other metal ions, to the crown ether moiety and not to the methoxy anthraquinone component, the latter being the second binding site available and known for its affinity towards alkaline earth metal ions from one of our previous reports.

}, doi = {10.1002/ejic.201100472}, author = {Banerjee, Tanmay and Suresh, Moorthy and Ghosh, Hirendra N. and Das, Amitava} } @article { ISI:000293230300022, title = {Concurrent display of both alpha- and beta-turns in a model peptide}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {16}, year = {2011}, month = {MAY}, pages = {5762-5765}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This article describes a model peptide that concurrently displays both alpha- and beta-turns, as demonstrated by structural investigations using single crystal X-ray crystallography and solution-state NMR studies. The motif reported herein has the potential for the design of novel conformationally ordered synthetic oligomers with structural architectures distinct from those classically observed.

}, issn = {1477-0520}, doi = {10.1039/c1ob05553d}, author = {Srinivas, Deekonda and Vijayadas, Kuruppanthara N. and Gonnade, Rajesh G. and Phalgune, Usha D. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000291061500032, title = {Conformational transitions in ariesaema curvatum lectin: characterization of an acid induced active molten globule}, journal = {Journal of Fluorescence}, volume = {21}, number = {2}, year = {2011}, month = {MAR}, pages = {753-763}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Biophysical characterization of a lectin from Ariesaema curvatum (ACL) was carried out using steady state as well as time resolved fluorescence and CD spectroscopy under various denaturing conditions. An intermediate with altered tryptophan microenvironment was detected in the phase diagram, which exibited pronounced secondary structure and hemagglutinating activity in presence of 0.25 M Gdn-HCl. An acid induced molten- globule like structure possessing activity and higher thermostability was detected. Transition to the molten globule state was reversible in nature. The lectin retained hemagglutinating activity even after incubation at 95 A degrees C. Both chemical and thermal unfolding of the lectin were found to consist of multistate processes. Fluorescence quenching of ACL was strong with acrylamide and KI. The single tryptophan was found to be surrounded by high density of the positively charged amino acid residues as shown by a ten fold higher K(sv) for KI compared to that for CsCl. The average lifetime of tryptophan fluorescence increased from 1.24 ns in the native state to 1.72 ns in the denatured state.

}, keywords = {Araceae, Fluorescence lifetime, Hemagglutinin, Molten globule, Secondary structure, Thermostability, Unfolding}, issn = {1053-0509}, doi = {10.1007/s10895-010-0766-2}, author = {Sharma, Urvashi and Gaikwad, Sushama M. and Suresh, C. G. and Dhuna, Vikram and Singh, Jatinder and Kamboj, Sukhdev Singh} } @article { ISI:000285749800008, title = {Conformationally rigid aromatic amino acids as potential building blocks for abiotic foldamers}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {2}, year = {2011}, month = {NOV}, pages = {367-369}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the development of conformationally constrained unnatural aromatic amino acids, constructed on rigid backbone wherein the carboxyl and amino groups project in two dimensions (planes) on the aromatic framework. Such a feature offers the possibility of design and development of conformationally ordered synthetic oligomers with intriguing structural architectures distinct from those classically observed. Furthermore, such amino acids will have the potential to extend the conformational space available for foldamer design with diverse backbone conformation and structural architectures.

}, issn = {1477-0520}, doi = {10.1039/c0ob00593b}, author = {Ramesh, Veera V. E. and Roy, Arup and Vijayadas, Kuruppanthara N. and Kendhale, Amol M. and Prabhakaran, Panchami and Gonnade, Rajesh G. and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000287163000011, title = {Construction of the 5,10b-phenanthridine skeleton using [3+2]-cycloaddition of a non-stabilized azomethine ylide: total synthesis of (+/-)-maritidine and (+/-)-crinine alkaloids}, journal = {European Journal of Organic Chemistry}, number = {4}, year = {2011}, month = {FEB}, pages = {740-750}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Vicinal quaternary and tertiary stereocenters of the 5,10b-phenanthridine skeleton 1 are constructed simultaneously in one step by the [3+2]-cycloaddition of non-stabilized azomethine ylide 9, generated by sequential double desilylation of 10 utilizing silver(I) fluoride as a one-electron oxidant. The regioas well as stereochemical origin of this cycloaddition reaction is explained through a favorable transition state 9{\textquoteright}{\textquoteright}. The strategy is successfully applied for the total synthesis of the biologically active alkaloids (+/-)-maritidine (1a), (+/-)-crinine (1b), and their analogues (1d, 1e, and 1f).

}, keywords = {alkaloids, Azomethine ylides, Cycloaddition, Natural products, Ylides}, issn = {1434-193X}, doi = {10.1002/ejoc.201001263}, author = {Pandey, Ganesh and Gupta, Nishant R. and Gadre, Smita R.} } @article { ISI:000289764000056, title = {Control of competing hydrogenation of phenylhydroxylamine to aniline in a single-step hydrogenation of nitrobenzene to p-aminophenol }, journal = {Industrial \& Engineering Chemistry Research}, volume = {50}, number = {9}, year = {2011}, month = {MAY}, pages = {5478-5484}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two steps involving catalytic hydrogenation of nitrobenzene to phenylhydroxylamine (PHA) in acid medium and its rearrangement to p-aminophenol (PAP) were studied separately in a batch reactor, using a well-characterized 3\% Pt/C catalyst. The first step of hydrogenation of nitrobenzene to PHA could be carried out at 303 K and a H(2) pressure of 0.69 MPa with complete conversion of nitrobenzene, while the achieved selectivity to PHA was higher than 90\% with some formation of aniline, even at lower temperature. The second step of PHA rearrangement to PAP could be achieved under a hydrogen atmosphere at elevated temperature of 353 K to give a maximum selectivity to PAP of 74\%.

}, issn = {0888-5885}, doi = {10.1021/ie102544a}, author = {Nadgeri, Jayprakash M. and Biradar, Narayan S. and Patil, Priyanka B. and Jadkar, Sachin T. and Garade, Ajit C. and Rode, Chandrashekhar V.} } @article {43237, title = {Correction to what drives the redox properties of model green fluorescence protein chromophores?}, journal = {Journal of Physical Chemistry Letters}, volume = {2}, year = {2011}, month = {OCT}, pages = {2695{\textendash}2695}, chapter = {q}, abstract = {

We report the first experimental determination of the oxidation potentials E-ox(0). (relative to the standard hydrogen electrode, SHE) of model green fluorescent protein (GFP) chromophores. Para-, meta, and ortho-hydroxy (4-hydroxybenzylidene-2,3-dimethylimidazolinone, HBDI) and methoxy (MeOBDI) derivatives were studied. E-ox(0) of the three isomers in acetonitrile are -1.31, -1.52, and -1.39 V, respectively. Electronic structure calculations reproduce the observed differences between the isomers and reveal that E-ox(0) follows the ionization energies (IEs), that is, p-MeOBDI has the lowest IE (6.96 eV in the gas phase) due to resonance stabilization of its cation, whereas the resonance is detuned in m-MeOBDL resulting in more-negative E-ox(0). The observed meta and ortho effects in E-ox(0) are similar to the trends in pK(a). The effect of increased solvent polarity on absolute.E-ox(0) (and especially on para-meta-ortho differences) was found to be small. The redox properties of GFP chromophores are driven by their structure and can be correlated with IEs, which can be exploited in predicting the properties of other fluorescent protein chromophores.

}, doi = {10.1021/jz201353v}, author = {Solntsev, Kyril M. and Ghosh, Debashree and Amador, Adrian and Josowicz, Mira and Krylov, Anna I.} } @article {42714, title = {Cyclodiphosph(III)azane chemistry {\textendash} ylides from the reaction of [(RNH)P-N(t-Bu)]2 [R = t-Bu, i-Pr] with dimethyl maleate and chiral ansa-type derivatives from reaction of [ClP-N(t-Bu)]2 with a substituted BINOL}, journal = {Inorganica Chimica Acta}, volume = {372}, year = {2011}, month = {JUN}, pages = {374{\textendash}382}, abstract = {

Use of a simple inorganic ring system with the cyclodiphosph(III)azane skeleton [e.g. [(RNH)P-N(t-Bu)]2 [R = t-Bu (7), i-Pr (8)] to probe some of the intermediates proposed in phosphine mediated organic reactions is highlighted. Thus the reaction of 7{\textendash}8 with the allenylphosphine oxide Ph2P(O)C(Ph)double bond; length as m-dashCdouble bond; length as m-dashCH2 (9) affords the phosphinimines [(RNH)P(μ-N-t-Bu)2P(double bond; length as m-dashN-R)-C(double bond; length as m-dashCH2)CH(Ph)-P(O)Ph2] [R = t-Bu (10), i-Pr (11)], while a similar reaction of 7{\textendash}8 with dimethyl maleate (or dimethyl fumarate) affords the ylides [(RNH)P(μ-N-t-Bu)2P(NH-R)double bond; length as m-dashC(CO2Me)-CH2(CO2Me) [R = t-Bu (18), i-Pr (19)]. The implication of such reactions on phosphine mediated organic transformations including Morita{\textendash}Baylis{\textendash}Hillman reaction is mentioned. In a rather rare type of situation, an unusually long phosphoryl (Pdouble bond; length as m-dashO) bond [1.538 (5) {\r A}] as revealed the X-ray structure of {(R)-6,6'-(t-Bu)2-1,1'-(C10H5)2-2,2'-O2-}{P(O)(N-t-Bu)2-P(Se)} (27) is rationalized by means of crystallographic disorder in packing after comparing the data with that in the literature and {1,1'-(C10H6)2-2,2'-O2}{P(Se)(N-t-Bu)2-P(Se)} (29). X-ray structures of the new compounds 10{\textendash}11, 18{\textendash}19, 27 and 29 are discussed. Compound 10 crystallizes in the chiral space group Pca2(1) with (S)-chirality at the carbon center [{\textendash}C(double bond; length as m-dashCH2)CH(Ph)-P] suggesting a case of spontaneous resolution through crystallization.

}, doi = {10.1016/j.ica.2010.12.072}, author = {Swamy, K.C. Kumara and Gangadhararao, G. and Srinivas, Venu and Kumar, N. N. Bhuvan and Balaraman, Ekambaram and Chakravarty, Manab} } @article { ISI:000286904800076, title = {Degradation of methylene blue via photocatalysis of transition metal-loaded sulfated TiO2}, journal = {Materials Chemistry and Physics}, volume = {125}, number = {3}, year = {2011}, month = {FEB}, pages = {807-812}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Transition metal-loaded nanocrystalline SO42-/TiO2 powders were prepared by sol-gel method. Anatase is found as the active phase in all the samples. Sulfation process clearly stabilizes TiO2 catalyst phase against sintering, maintaining anatase phase and relatively high surface area values with respect to pure TiO2. Wide structural and surface characterization of samples was carried out in order to establish a correlation between the effect of sulfation and metal incorporation on the TiO2 photocatalytic properties. The maximum photocatalytic decomposition of methylene blue solution was achieved with sulfation of TiO2. In addition, incorporation of metal into the structure of SO42-/TiO2 seems to enhance the photocatalytic activity of the samples, which is ascribed to the enlargement of specific surface area, photogenerated carriers separation, light absorption, as well as the higher surface acidity. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {nanomaterial, Photocatalytic activity, sol-gel process}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2010.09.053}, author = {Gambhire, A. B. and Lande, Machhindra K. and Arbad, B. R. and Rathod, S. B. and Gholap, Ramkrishna S. and Patil, K. R.} } @article { ISI:000288356300002, title = {Development of biocatalysts for production of commodity chemicals from lignocellulosic biomass}, journal = {Bioresource Technology}, volume = {102}, number = {6}, year = {2011}, month = {MAR}, pages = {4304-4312}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Lignocellulosic biomass is recognized as potential sustainable source for production of power, biofuels and variety of commodity chemicals which would potentially add economic value to biomass. Recalcitrance nature of biomass is largely responsible for the high cost of its conversion. Therefore, it is necessary to introduce some cost effective pretreatment processes to make the biomass polysaccharides easily amenable to enzymatic attack to release mixed fermentable sugars. Advancement in systemic biology can provide new tools for the development of such biocatalysts for sustainable production of commodity chemicals from biomass. Integration of functional genomics and system biology approaches may generate efficient microbial systems with new metabolic routes for production of commodity chemicals. This paper provides an overview of the challenges that are faced by the processes converting lignocellulosic biomass to commodity chemicals. The critical factors involved in engineering new microbial biocatalysts are also discussed with more emphasis on commodity chemicals. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Biomass utilization, Commodity chemicals, Ethanol, Lactic acid, Microbial cellulases}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.01.002}, author = {Adsul, Mukund G. and Singhvi, M. S. and Gaikaiwari, Shalaka A. and Gokhale, D. V.} } @article { ISI:000292377500011, title = {Development of non-woven nanofibers of egg albumen-poly (vinyl alcohol) blends: influence of solution properties on morphology of nanofibers}, journal = {Polymer Journal}, volume = {43}, number = {7}, year = {2011}, month = {JUL}, pages = {654-661}, publisher = {NATURE PUBLISHING GROUP}, address = {75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA}, abstract = {

Egg albumen (EA), a highly functional globular protein with desirable properties, is the least-explored material for biomaterial applications, although it is available in abundance. In our studies, we explored the viability of EA and various blends with biocompatible and non-toxic poly (vinyl alcohol) (PVA) to produce nanofibers for biomedical applications. EA and PVA blends were prepared in various compositions. Electrospinning was used to fabricate non-woven nanofibers. Solution properties, such as viscosity and electrical conductivity, were evaluated for various prepared solutions. Solution viscosity increased with increasing polymer concentration. Solutions with higher contents of EA recorded increased conductivity, which decreased with increasing PVA content. The influence of solution properties on the morphological appearance of as-spun products was studied using scanning electron microscopy. Instead of nanofibers, nanoparticles and microparticles of EA were produced at even higher contents. In contrast, a gradual increase in the addition of PVA content to 8\% EA solution resulted in the transformation of particles from large agglomerates to very fine fibers (approximate to 100nm in diameter) because of the influence of polymer content, viscosity and conductivity. The polymer-polymer interactions in the prepared materials have been validated by Fourier transform infrared spectroscopy, differential scanning calorimetry, X-ray diffraction and gel electrophoresis. Polymer Journal (2011) 43, 654-661; doi:10.1038/pj.2011.34; published online 18 May 2011

}, keywords = {Biocompatibility, biodegradable, blends, nanotechnology, Proteins}, issn = {0032-3896}, doi = {10.1038/pj.2011.34}, author = {Rathna, Gundloori Venkata Naga and Jog, Jyoti Prakash and Gaikwad, A. B.} } @article {42526, title = {Diamine derivative of a ruthenium(II)-polypyridyl complex for chemodosimetric detection of nitrite ion in aqueous solution}, journal = {Inorganica Chimica Acta}, volume = {372}, year = {2011}, month = {FEB}, pages = {115{\textendash}119}, abstract = {

Nitrite is quite an abundant anion in the environment. It, however, becomes toxic to human life, as well as aquatic animals when present above the permissible concentration level. We have reported here a Ru(II)-polypyridyl-based complex (1) for chemodosimetric detection of nitrite ion in aqueous solution. Formation of the new triazole based complex, generated by reaction of 1 and N2O3, is ascertained by comparing its properties with a presynthesised triazole complex.

}, doi = {10.1016/j.ica.2011.01.066}, author = {Ghosh, Amrita and Das, Priyadip and Saha, Sukdeb and Banerjee, Tanmay and Bhatt, Harshad B. and Das, Amitava} } @article { ISI:000288438500030, title = {Dibutyl phthalate, a secondary metabolite from mimusops elengi}, journal = {Chemistry of Natural Compounds}, volume = {46}, number = {6}, year = {2011}, month = {JAN}, pages = {955-956}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {0009-3130}, doi = {10.1007/s10600-011-9793-8}, author = {Ruikar, A. D. and Gadkari, T. V. and Phalgune, U. D. and Puranik, Vedavati G. and Deshpande, N. R.} } @article { ISI:000297657400072, title = {Differential induction, purification and characterization of cold active lipase from Yarrowia lipolytica NCIM 3639}, journal = {Bioresource Technology}, volume = {102}, number = {22}, year = {2011}, month = {NOV}, pages = {10663-10670}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The production, purification and characterization of cold active lipases by Yarrowia lipolytica NCIM 3639 is described. The study presents a new finding of production of cell bound and extracellular lipase activities depending upon the substrate used for growth. The strain produced cell bound and extracellular lipase activity when grown on olive oil and Tween 80, respectively. The organism grew profusely at 20 degrees C and at initial pH of 5.5, producing maximum extracellular lipase. The purified lipase has a molecular mass of 400 kDa having 20 subunits forming a multimeric native protein. Further the enzyme displayed an optimum pH of 5.0 and optimum temperature of 25 degrees C. Peptide mass finger printing reveled that some peptides showed homologues sequence (42\%) to Yarrowia lipolytica LIP8p. The studies on hydrolysis of racemic lavandulyl acetate revealed that extracellular and cell bound lipases show preference over the opposite antipodes of irregular monoterpene, lavandulyl acetate. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Cell bound lipase, Cold active lipase, Extracellular lipase, Lavandulyl acetate, Oligomeric lipase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.09.013}, author = {Yadav, K. N. Sathish and Adsul, Mukund G. and Bastawade, Kulbhushan B. and Jadhav, D. D. and Thulasiram, H. V. and Gokhale, D. V.} } @article {43240, title = {Effect of solvation on the vertical ionization energy of thymine: from microhydration to bulk}, journal = {Journal of Physical Chemistry A}, volume = {115}, year = {2011}, month = {JUN}, pages = {6028-6038}, abstract = {The effect of hydration on the vertical ionization energy (VIE) of thymine was characterized using equation-of-motion ionization potential coupled-cluster (EOM-IP-CCSD) and effective fragment potential (EFP) methods. We considered several microsolvated clusters as well as thymine solvated in bulk water. The VIE in bulk water was computed by averaging over solvent-solute configurations obtained from equilibrium molecular dynamics trajectories at 300 K. The effect of microsolvation was analyzed and contrasted against the combined effect of the first solvation shell in bulk water. Microsolvation reduces the ionization energy (IE) by about 0.1 eV per water molecule, while the first solvation shell increases the IE by 0.1 eV. The subsequent solvation lowers the IE, and the bulk value of the solvent-induced shift of thymine{\textquoteright}s VIE is approximately -0.9 eV. The combined effect of the first solvation shell was explained in terms of specific solute-solvent interactions, which were investigated using model structures. The convergence of LE to the bulk value requires the hydration sphere of approximately 13.5 angstrom radius. The performance of the EOM-IP-CCSD/EFP scheme was benchmarked against full EOM-IP-CCSD using microhydrated structures. The errors were found to be less than 0.01-0.02 eV. The relative importance of the polarization and higher multipole moments in EFP model was also investigated.}, doi = {10.1021/jp110438c}, author = {Ghosh, Debashree and Isayev, Olexandr and Slipchenko, Lyudmila V. and Krylov, Anna I.} } @article {42724, title = {Efficient hydrogenation of organic carbonates, carbamates, and formates indicates alternative routes to methanol based on CO2 and CO}, journal = {Nature Chemistry}, volume = {3}, year = {2011}, month = {JUL}, pages = {609{\textendash}614}, abstract = {

Catalytic hydrogenation of organic carbonates, carbamates and formates is of significant interest both conceptually and practically, because these compounds can be produced from CO2 and CO, and their mild hydrogenation can provide alternative, mild approaches to the indirect hydrogenation of CO2 and CO to methanol, an important fuel and synthetic building block. Here, we report for the first time catalytic hydrogenation of organic carbonates to alcohols, and carbamates to alcohols and amines. Unprecedented homogeneously catalysed hydrogenation of organic formates to methanol has also been accomplished. The reactions are efficiently catalysed by dearomatized PNN Ru(II) pincer complexes derived from pyridine- and bipyridine-based tridentate ligands. These atom-economical reactions proceed under neutral, homogeneous conditions, at mild temperatures and under mild hydrogen pressures, and can operate in the absence of solvent with no generation of waste, representing the ultimate {\textquoteleft}green{\textquoteright} reactions. A possible mechanism involves metal{\textendash}ligand cooperation by aromatization{\textendash}dearomatization of the heteroaromatic pincer core.

}, doi = {10.1038/nchem.1089}, author = {Balaraman, Ekambaram and Gunanathan, Chidambaram and Zhang, Jing and Shimon, Linda J. W. and Milstein, David} } @article { ISI:000295817100054, title = {Efficient synthesis of benzofuranones: N-heterocyclic carbene (NHC)/base-catalyzed hydroacylation-stetter-rearrangement cascade}, journal = {Organic Letters}, volume = {13}, number = {20}, year = {2011}, month = {OCT}, pages = {5624-5627}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A N-heterocyclic carbene/base-catalyzed cascade reaction leading to the formation of functionalized benzofuranones is reported. The reaction proceeds via an intramolecular hydroacylation of unactivated alkynes followed by an intermolecular Stetter reaction and a base-catalyzed chromanone to benzofuranone rearrangement.

}, issn = {1523-7060}, doi = {10.1021/ol2023483}, author = {Padmanaban, Mohan and Biju, Akkattu T. and Glorius, Frank} } @article { ISI:000292555200032, title = {Electrical behavior of silver particulate films deposited on 8 MeV electron beam irradiated softened polystyrene substrates}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {22}, number = {8}, year = {2011}, month = {AUG}, pages = {1095-1100}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Results of the investigations carried out on the electrical behavior of silver particulate films deposited on electron beam irradiated polystyrene (PS) coated substrates held at a temperature of 455 K in a vacuum of 8 x 10(-6) torr at a constant deposition rate of 0.4 nm/s are reported. It is known that when metals are evaporated on to softened polymer substrates, subsurface particulate structures are formed whose morphology is dependent on deposition parameters. Further, it was shown that the morphology is dependent on polymer-metal interaction. The present work demonstrates that the polymer-metal interaction can be brought about in inert polymers like PS by electron irradiation. The results indicate that the films deposited on PS irradiated to a dose of 20 and 25 kGy gives rise to smaller clusters with smaller inter-cluster separation, better suited for sensor applications. The induced polymer-metal interaction is attributed to the creation of free radicals due to the 8 MeV electron irradiation.

}, issn = {0957-4522}, doi = {10.1007/s10854-010-0266-9}, author = {Pattabi, Manjunatha and Gurumurthy, S. C. and Sanjeev, Ganesh and Gaikwad, A. B.} } @article { ISI:000294187400078, title = {Enhanced enzymatic hydrolysis of cellulose by partial modification of its chemical structure}, journal = {Carbohydrate Polymers}, volume = {86}, number = {2}, year = {2011}, month = {AUG}, pages = {962-968}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A series of 2,3-dialdehyde celluloses with different degrees of oxidation were used for deriving corresponding dicarboxylate, dicarboxy, and Schiff{\textquoteright}s base cellulose derivatives. The dialdehyde cellulose was hydrolyzed by cellulase to a lower extent than the starting cellulose, except at high levels of aldehyde content (above 50\%). For dicarboxylate and dicarboxy celluloses, the highest level of oxidized NaDCC and DCC hydrolysed up to 70 and 60\% respectively which was 3-4 times more than cellulose. The 2,3-dioxime cellulose derivative hydrolyzes only up to 16.3\% for the highest level of oxidized dioxime. In the case of 2,3-diethylimine cellulose, all derivatives hydrolyse faster than the native cellulose. Up to 75\% hydrolysis was observed for 2,3-diethyimine cellulose-50, 2,3-dipropylimine and 2,3-dibutylimine cellulose. The 2,3-dibenzylimine cellulose hydrolyses a little slower than the alkylimine derivatives. The 2,3-dihydrazone cellulose derivatives with all level of oxidation showed resistance towards enzymatic hydrolysis. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {2, 3-Dialdehyde celluloses, 3-Dibenzylimine cellulose, 3-Dibutylimine cellulose, 3-Dicarboxy celluloses, 3-Diethyimine cellulose, 3-Dihydrazone cellulose, 3-Dipropylimine cellulose, Cellulase, Enzymatic hydrolysis}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2011.05.067}, author = {Shaikh, H. M. and Adsul, Mukund G. and Gokhale, D. V. and Varma, Anjanikumar} } @article { ISI:000286431500017, title = {Enhanced stability of G-quadruplexes from conformationally constrained aep-PNA backbone}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {3}, year = {2011}, month = {NOV}, pages = {725-729}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Nucleic (DNA) acids having contiguous stretch of G sequence form quadruplex structure, which is very critical to control cell division. Recently the existence of G-quadruplex in RNA is also reported in presence of monovalent metal ion. PNA is a promising DNA analogue which binds strongly to DNA to form PNA: DNA duplex or PNA(2) : DNA triplex. PNA also forms quadruplexes such G-quadruplex and i-motif in G and C-rich sequences respectively. aep-PNA containing a prolyl ring is one of several PNA analogues that provide rigidity and chirality in backbone and has binding affinity to natural DNA which is higher than that of PNA. Here we examine the ability of aep-PNA-G to form a quadruplex by UV, CD and mass spectroscopic techniques.

}, issn = {1477-0520}, doi = {10.1039/c0ob00528b}, author = {Sharma, Nagendra K. and Ganesh, Krishna N.} } @article {42524, title = {Exciton-coupled charge-transfer dynamics in a porphyrin J-aggregate/TiO 2 complex}, journal = {Chemistry a European Journal}, volume = {17}, year = {2011}, month = {MAR}, pages = {3458{\textendash}3464}, abstract = {

Exciton-coupled charge-transfer (CT) dynamics in TiO2 nanoparticles (NP) sensitized with porphyrin J-aggregates has been studied by femtosecond time-resolved transient absorption spectroscopy. J-aggregates of 5,10,15-triphenyl-20-(3,4-dihydroxyphenyl) porphyrin (TPPcat) form CT complexes on TiO2 NP surfaces. Catechol-mediated strong CT coupling between J-aggregate and TiO2 NP facilitates interfacial exciton dissociation for electron injection into the conduction band of the TiO2 nanoparticle in pulse width limited time (\<80 fs). Here, the electron-transfer (\<80 fs) process dominates over the intrinsic exciton-relaxation process (J-aggregates: ca. 200 fs) on account of exciton-coupled CT interaction. The parent hole on J-aggregates is delocalized through J-aggregate excitonic coherence. As a result, holes immobilized on J-aggregates are spatially less accessible to electrons injected into TiO2, and thus the back electron transfer (BET) process is slower than that of the monomer/TiO2 system. The J-aggregate/porphyrin system shows exciton spectral and temporal properties for better charge separation in strongly coupled composite systems.

}, doi = {10.1002/chem.201002537}, author = {Verma, Sandeep and Ghosh, Amrita and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000287716400004, title = {Expression analysis of cinnamoyl-CoA reductase (CCR) gene in developing seedlings of Leucaena leucocephala: A pulp yielding tree species}, journal = {Plant Physiology and Biochemistry}, volume = {49}, number = {2}, year = {2011}, month = {FEB}, pages = {138-145}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Removal of lignin is a major hurdle for obtaining good quality pulp. Leucaena leucocephala (subabul) is extensively used in paper industry in India; therefore, as a first step to generate transgenic plants with low lignin content, cDNA and genomic clones of CCR gene were isolated and characterized. The cDNA encoding CCR (EC 1.2.1.44) was designated as LI-CCR; the sequence analysis revealed an Open Reading Frame (ORF) of 1005 bp. Phylogenetic analysis showed that LI-CCR sequence is highly homologous to CCRs from other dicot plants. The 2992 bp genomic clone of Leucaena CCR consists of 5 exons and 4 introns. The haploid genome of L leucocephala contains two copies as revealed by DNA blot hybridization. LI-CCR gene was over-expressed in Escherichia coli, which showed a molecular mass of approximately 38 kDa. Protein blot analysis revealed that LI-CCR protein is expressed at higher levels in root and in stem, but undetectable in leaf tissues. Expression of CCR gene in Leucaena increased up to 15 d in case of roots and stem as revealed by QRT-PcR studies in 0-15 d old seedlings. ELISA based studies of extractable CCR protein corroborated with QRT-PCR data. CCR protein was immuno-cytolocalized around xylem tissue. Lignin estimation and expression studies of 5,10 and 15 d old stem and root suggest that CCR expression correlates with quantity of lignin produced, which makes it a good target for antisense down regulation for producing designer species for paper industry. (C) 2010 Elsevier Masson SAS. All rights reserved.

}, keywords = {Cinnamoyl-CoA reductase, Developing seedling, Leucaena leucocephala, Lignin biosynthesis}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2010.11.001}, author = {Srivastava, Sameer and Gupta, Ranadheer K. and Arha, Manish and Vishwakarma, Rishi K. and Rawal, Shuban K. and Kishor, P. B. Kavi and Khan, Bashir Mohammad} } @article {42452, title = {Extending nhc-catalysis: reaction of aldehydes with unconventional reaction partners}, journal = {Accounts of Chemical Research}, volume = {44}, year = {2011}, month = {JUL}, pages = {1182{\textendash}1195}, abstract = {

Transition metal catalysis is a powerful means of effecting organic reactions, but it has some inherent drawbacks, such as the cost of the catalyst and the toxicity of the metals. Organocatalysis represents an attractive alternative and, in some cases, offers transformations unparalleled in metal catalysis. Unique transformations are a particular hallmark of N-heterocyclic carbene (NHC) organocatalysis, a versatile method for which a number of modes of action are known. The NHC-catalyzed umpolung (that is, the inversion of polarity) of electrophilic aldehydes, through formation of the nucleophilic Breslow intermediate, is probably the most important mode of action. In this Account, we discuss the reaction of Breslow intermediates with unconventional reaction partners.

}, doi = {10.1021/ar2000716}, author = {Biju, Akkattu T. and Kuhl, Nadine and Glorius, Frank} } @article { ISI:000286852900002, title = {Extrudate swell of linear and branched polyethylenes: ALE simulations and comparison with experiments}, journal = {Journal of Non-Newtonian Fluid Mechanics}, volume = {166}, number = {1-2}, year = {2011}, month = {JAN}, pages = {12-24}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Extrudate swell is a common phenomenon observed in the polymer extrusion industry. Accurate prediction of the dimensions of an extrudate is important for appropriate design of dies for profile extrusion applications. Prediction of extrudate swell has been challenging due to (i) difficulties associated with accurate representation of the constitutive behavior of polymer melts, and (ii) difficulties associated with the simulation of free surfaces, which requires special techniques in the traditionally used Eulerian framework. In a previous work we had argued that an Arbitrary Lagrangian Eulerian (ALE) based finite element formulation may have advantages in simulating free surface deformations such as in extrudate swell. In the present work we reinforce this argument by comparing our ALE simulations with experimental data on the extrudate swell of commercial grades of linear polyethylene (LLDPE) and branched polyethylene (LOPE). Rheological behavior of the polymers was characterized in shear and uniaxial extensional deformations, and the data was modeled using either the Phan-Thien Tanner (PTT) model or the eXtended Pom-Pom (XPP) model. Additionally, flow birefringence and pressure drop measurements were done using a 10:1 contraction-expansion (CE) slit geometry in a MultiPass Rheometer. Simulated pressure drop and contours of the principal stress difference were compared with experimental data and were found to match well. This provided an independent test for the accuracy of the ALE code and the constitutive equations for simulating a processing-like flow. The polymers were extruded from long (L/D=30) and short (L/D=10) capillaries dies at 190 degrees C. ALE simulations were performed for the same extrusion conditions and the simulated extrudate swell showed good agreement with the experimental data. Crown Copyright (C) 2010 Published by Elsevier B.V. All rights reserved.

}, keywords = {ALE-FEM, extrudate swell, Flow birefringence, MultiPass Rheometer, PSD, PTT, XPP}, issn = {0377-0257}, doi = {10.1016/j.jnnfm.2010.10.001}, author = {Ganvir, Vivek and Gautham, Basavarsu P. and Pol, Harshawardhan and Bhamla, M. Saad and Sclesi, Lino and Thaokar, Rochish and Lele, Ashish K. and Mackley, Malcolm} } @article { ISI:000291525400022, title = {Fabrication, thermal and electrical properties of polyphenylene sulphide/copper composites}, journal = {Materials Chemistry and Physics}, volume = {128}, number = {1-2}, year = {2011}, month = {JUL}, pages = {114-120}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The thermal and electrical properties of high performance poly(phenylene sulphide) (PPS) composites reinforced up to 31 vol\% Cu particles were investigated to be used as materials for electronic applications. The thermal stability and char yield of the composites increased significantly. Both pre- and post- glass transition coefficient of thermal expansion (CTE) of composites decreased significantly. The microhardness was increased by more than 50\% compared to pure PPS matrix. Microhardness and CTE of composites correlated well with the rule of mixtures. A percolation threshold about 6 vol\% Cu was obtained. The electrical conductivity was increased by about eight orders of magnitude for 18 vol\% composite. Dielectric constant and dissipation factor of composites at 1 MHz was increased by about 6-fold and 70-fold compared to matrix, respectively. They decreased gradually with increasing frequency up to 1 MHz and thereafter, there was insignificant change. The scanning electron microscope showed almost uniform distribution of Cu particles in the matrix. Owing to better dimensional stability and good electrical properties, these composites are very promising for electronic applications. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Dielectric property, Electrical conductivity, hardness, Thermal expansion}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2011.02.065}, author = {Goyal, R. K. and Kambale, K. R. and Nene, S. S. and Selukar, B. S. and Arbuj, Sudhir S. and Mulik, Uttam P.} } @article { ISI:000293756800010, title = {Facile synthesis of unusual glycosyl carbamates and amino acid glycosides from propargyl 1,2-orthoesters as glycosyl donors}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {17}, year = {2011}, month = {MAR}, pages = {5951-5959}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Propargyl 1,2-O-orthoesters are exploited for the synthesis of 1,2-trans O-glycosides of protected amino acids. N-Fmoc- and N-Cbz protected serine/threonine - benzyl/methyl esters reacted well with glucosyl-, galactosyl-, mannosyl- and lactosyl- derived propargyl 1,2-orthoesters affording respective 1,2-trans glycosides in good yields under AuBr(3)/4 angstrom MS Powder/CH(2)Cl(2)/rt. t-Boc serine derivative gave serine 1,2-orthoester and glycosyl carbamate. Optimized conditions enabled preparation of new glycosyl carbamates from N-Boc protected amines in a single step using gold catalysts and propargyl 1,2-orthoesters in excellent yields.

}, issn = {1477-0520}, doi = {10.1039/c1ob05056g}, author = {Shaikh, Ashif Y. and Sureshkumar, Gopalsamy and Pati, Debasish and Sen Gupta, Sayam and Hotha, Srinivas} } @article { ISI:000293464100028, title = {Fe(III) complex of biuret-amide based macrocyclic ligand as peroxidase enzyme mimic}, journal = {Chemical Communications}, volume = {47}, number = {28}, year = {2011}, month = {JUN}, pages = {8016-8018}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An Fe(III) complex of a biuret-amide based macrocyclic ligand that exhibits both excellent reactivity for the activation of H(2)O(2) and high stability, especially at low pH and high ionic strength, is reported.

}, issn = {1359-7345}, doi = {10.1039/c1cc12686e}, author = {Panda, Chakadola and Ghosh, Munmun and Panda, Tamas and Banerjee, Rahul and Sen Gupta, Sayam} } @article {42523, title = {Folding and unfolding movements in a [2]pseudorotaxane}, journal = {Journal of Organic Chemistry}, volume = {76}, year = {2011}, month = {DEC}, pages = {138{\textendash}144}, abstract = {

A new dibenzo[24]crown-8 derivative (1) was synthesized and functionalized with aromatic moieties such as naphthalene and coumarin units. These two fluorophores are known to form an effective FRET (Forster resonance energy transfer) pair, and this formed the basis for the design of this host crown ether derivative. Results of the steady-state and time-resolved fluorescence studies confirmed the resonance energy transfer between the donor naphthalene moiety and acceptor coumarin fragment, while NMR spectra and computational studies support a folded conformation for the uncomplexed crown ether 1. This was found to form an inclusion complex, a [2]pseudorotaxane type with imidazolium ion derivatives as the guest molecules with varying alkyl chain lengths ([C4mim]+ or [C10mim]+). The host crown ether (1) tends to adopt an open conformation on formation of the interwoven inclusion complex (1{\textperiodcentered}[C4mim]+ or 1{\textperiodcentered}[C10mim]+). This change in conformation, from the folded to a open one, was predicted by computational as well as 1H NMR studies and was confirmed by single crystal X-ray structure for one (1{\textperiodcentered}[C4mim]+) of the two inclusion complexes. The increase in the effective distance between the naphthalene and coumarin moieties in the open conformation of these inclusion complexes was also supported by the decrease in the effective FRET process that was operational between naphthalene and coumarin moieties in the free molecule (1). Importantly, this inclusion complex formation was found to be reversible, and in the presence of a stronger base/polar solvent, such as triethyl amine/DMSO, the deprotonation/effective solvation of the cationic imidizolium ions ([C4mim]+ or [C10mim]+) resulted in decomplexation or dethreading with restoration of the original emission spectra for 1, which signifies the subsequent increase in the FRET process. Thus we could demonstrate that a molecular folding-unfolding type of movement in the crown ether derivative could be induced by chemical input as an imidazolium ion.

}, doi = {10.1021/jo101762k}, author = {Suresh, Moorthy and Mandal, Amal Kumar and Kesharwani, Manoj K. and Adarsh, N. N. and Ganguly, Bishwajit and Kanaparthi, Ravi Kumar and Samanta, Anunay and Das, Amitava} } @article { ISI:000294701600022, title = {Functionalization of SBA-15 mesoporous materials using {\textquoteleft}{\textquoteleft}thiol-ene click{\textquoteright}{\textquoteright} michael addition reaction}, journal = {Journal of Physical Chemistry C }, volume = {115}, number = {36}, year = {2011}, month = {SEP}, pages = {17774-17781}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Methacrylate-labeled SBA-15 has been successfully synthesized from calcined SBA-15 and commercially available 3-trichlorosilyl propylmethacrylate. This material undergoes efficient thiol-ene {\textquoteleft}{\textquoteleft}click reaction{\textquoteright}{\textquoteright} with a variety of both thiol and disulfide-containing substrates in aqueous and organic media. The products were thoroughly characterized by a variety of analytical techniques including multinuclear (C-13, Si-29) solid-state NMR, TG-DTA, and nitrogen adsorption desorption studies. Disulfide-containing substrates in which the TCEP-mediated reduction of the disulfide bond and its subsequent addition to the methacrylate group anchored in SBA-15 in one-pot were used to synthesize a silica-protein hybrid material composed of biotin-labeled SBA-15 and streptavidin. Electrochemically active material was synthesized from the reaction of ferrocene-containing thiol and the methacrylate-labeled SBA-15. The ease of synthesis for the methacrylate-labeled SBA-15 material together with its ability to undergo efficient chemoselective thiol-ene reaction would make it a very attractive platform for the development of covalently anchored enzymes and sensors.

}, issn = {1932-7447}, doi = {10.1021/jp2056442}, author = {Kumari, Sushma and Malvi, Bharmana and Ganai, Anal Kumar and Pillai, Vijayamohanan K. and Sen Gupta, Sayam} } @article { ISI:000295256100040, title = {Genome sequence of idiomarina sp strain a28l, isolated from pangong lake, india}, journal = {Journal of Bacteriology}, volume = {193}, number = {20}, year = {2011}, month = {OCT}, pages = {5875-5876}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {

Idiomarina sp. strain A28L was isolated from the alkaline brackish water of a high-altitude lake, Pangong Lake. Here, we present the draft genome of Idiomarina sp. strain A28L, which contains 2,591,567 bp with a G + C content of 45.5 mol\% and contains 2,299 protein-coding genes and 56 structural RNAs.

}, issn = {0021-9193}, doi = {10.1128/JB.05648-11}, author = {Gupta, Hemant Kumar and Singh, Ajit and Sharma, Rakesh} } @article { ISI:000295256100039, title = {Genome sequence of rheinheimera sp strain A13L, isolated from pangong lake, india}, journal = {Journal of Bacteriology}, volume = {193}, number = {20}, year = {2011}, month = {OCT}, pages = {5873-5874}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {

Rheinheimera sp. strain A13L, which has antimicrobial activity, was isolated from alkaline brackish water of the high-altitude Pangong Lake of Ladakh, India. Here we report the draft genome sequence of Rhienheimera sp. strain A13L (4,523,491 bp with a G + C content of 46.23\%). The genome is predicted to contain genes for marinocine and colicin V production, which may be responsible for the antimicrobial activity of the strain.

}, issn = {0021-9193}, doi = {10.1128/JB.05636-11}, author = {Gupta, Hemant Kumar and Gupta, Rinkoo Devi and Singh, Ajit and Chauhan, Nar Singh and Sharma, Rakesh} } @article { ISI:000292852100017, title = {Gold catalyzed glycosidations for the synthesis of sugar acrylate/acrylamide hybrids and their utility}, journal = {Carbohydrate Research}, volume = {346}, number = {12, SI}, year = {2011}, month = {SEP}, pages = {1511-1518}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Propargyl glyco 1,2-orthoesters were exploited for the efficient synthesis of interesting glycomonomers such as glyco-acrylates and acrylamides using gold catalysts. It was observed that propargyl glyco 1,2-orthoesters with hydroxyethyl acrylates gives very good yield of the corresponding glyco-acrylates in a single step in the presence of catalytic amount of gold(III) catalyst; whereas, gold catalyzed glycosidation reaction on hydroxyethyl acrylamides was found to yield the corresponding acrylamidoyl 1,2-orthoester which was then converted to the corresponding glycol-acrylamide in the presence of catalytic amount of TMSOTf. Synthesized glyco-acrylate/acrylamide monomers are shown to undergo thiolate addition as well as free radical polymerization (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {carbohydrates, Glycoacrylamides, Glycoacrylates, Glycopolymers, glycosylation, Gold}, issn = {0008-6215}, doi = {10.1016/j.carres.2011.04.018}, author = {Thadke, Shivaji A. and Kar, Mritunjoy and Sen Gupta, Sayam and Hotha, Srinivas} } @article { ISI:000296393500028, title = {Growth and structural properties of Mg-N (N=10-56) clusters: density functional theory study}, journal = {Journal of Physical Chemistry A}, volume = {115}, number = {44}, year = {2011}, month = {NOV}, pages = {12307-12314}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Using the minima hopping global geometry optimization method on density functional potential energy surface, we have studied the structural and electronic properties of magnesium clusters for a size range of Mg-N where N = 10-56. Our exhaustive search reveals that most of our global minima are nonsymmetric in the size range above N = 20. We elucidate the evolutionary trend of the entire series and present more details about the peculiar growth of the clusters. For N\> 20, it is possible to divide the cluster into two regions: the core region and the surface region. It turns out that the growth follows a peculiar cyclic pattern where the core and surface grow alternatively. The surface energy, as a function of number of atoms shows a clear signature as the number of atoms in the core increases by one. We have also carried out stability analysis and the stable sizes(magic numbers) agree very well with the experimental magic numbers reported by Diederich [J. Chem. Phys. 2011, 134, 124302]. We point out the similarities and differences between our results and sodium clusters.

}, issn = {1089-5639}, doi = {10.1021/jp204442e}, author = {Heidari, Ideh and De, Sandip and Ghazi, S. M. and Goedecker, Stefan and Kanhere, Dilip G.} } @article { ISI:000288784400025, title = {Growth of aligned ZnO nanorods array on ITO for dye sensitized solar cell}, journal = {Current Applied Physics}, volume = {11}, number = {1, 1, SI}, year = {2011}, note = {International Conference on Electronic Materials (IUMRS-ICEM), Seoul, SOUTH KOREA, AUG 22-27, 2010}, month = {JAN}, pages = {S113-S116}, publisher = {Int Union Mat Res Soc (IUMRS)}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Aligned ZnO films of nanorods arrays were grown on Indium doped Tin oxide (ITO) glass substrate for the Dye Sensitized Solar Cells (DSSCs) applications. Two-step approach was employed for the deposition, which offers advantages such as excellent surface adhesion, large area deposition, high reproducibility and yield. Structural characterization using X-ray diffraction (XRD) shows a preferred c-axis (002) oriented growth. Scanning Electron Microscopy (SEM) images reveals uniformly distributed hexagonal ZnO nanorods with average diameter varying from 80 to 250 nm. Average growth rate of the films was estimated using Surface Profilometer which was found to be similar to 1 mu m/h. Optical characterizations were carried out using Photo-spectrometer and Raman spectroscopy. The DSSCs using these ZnO films of nanorods array as photo-electrodes show conversion efficiency ranging from 0.24 to -0.71 \%, the maximum efficiency was obtained for films deposited for time duration 8 h. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Aligned ZnO nanorod growth, Dye sensitized solar cell, Open aqueous solution deposition}, issn = {1567-1739}, doi = {10.1016/j.cap.2010.11.111}, author = {Yengantiwar, Ashish and Sharma, Ramakant and Game, Onkar S. and Banpurkar, Arun G.} } @article { ISI:000290127500055, title = {Halogen bonding in 2,5-dichloro-1,4-benzoquinone: insights from experimental and theoretical charge density analysis}, journal = {Crystal Growth \& Design}, volume = {11}, number = {5}, year = {2011}, month = {MAY}, pages = {1855-1862}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Experimental charge density distribution in 2, 5-dichloro-1, 4-benzoquinone has been carried out using high resolution X-ray diffraction data at 90 K to quantitatively evaluate the nature of C-Cl center dot center dot center dot O=C halogen bond in molecular crystals. Additionally, the halogen bond is studied from geometrical point of view and the same has been visualized using Hirshfeld surface analysis. The obtained results from experimental charge density analysis are compared with periodic quantum calculations using B3LYP 6-31G(d,p) level of theory. The topological values at bond critical point, three-dimensional static deformation density features and electrostatic potential isosurfaces unequivocally establish the attractive nature of C-Cl center dot center dot center dot O=C halogen bond in crystalline lattice.

}, issn = {1528-7483}, doi = {10.1021/cg2000415}, author = {Hathwar, Venkatesha R. and Gonnade, Rajesh G. and Munshi, Parthapratim and Bhadbhade, Mohan M. and Row, Tayur N. Guru} } @article { ISI:000291559600087, title = {Hyper-production of beta-glucosidase and beta-xylosidase by aspergillus niger NCIM 1207 In Xylan-Containing Media}, journal = {Bioresources}, volume = {6}, number = {2}, year = {2011}, month = {JAN}, pages = {2066-2076}, publisher = {NORTH CAROLINA STATE UNIV DEPT WOOD \& PAPER SCI}, address = {CAMPUS BOX 8005, RALEIGH, NC 27695-8005 USA}, abstract = {

Aspergillus niger NCIM 1207 produced significantly high levels of beta-glucosidase and beta-xylosidase activities in submerged fermentation. Cellulose induced only beta-glucosidase, while xylan induced both beta-glucosidase and beta-xylosidase activities. Both the enzymes of this strain were found to undergo catabolite repression in the presence of high concentrations of glucose and glycerol. The sudden drop in pH of the fermentation medium below 3.5 caused the inactivation of enzymes when the fungus was grown in glycerol-containing media at lower temperatures. The growth of the organism at 36 degrees C led to an increase in pH of the fermentation above 6.0 that affected beta-xylosidase activity significantly. Highest levels of beta-glucosidase ((19 IU mL(-1) or 633 IU g(-1) of substrate) and beta-xylosidase (18.7 IU/mL(-1) or 620 IU g(-1) of substrate) activities were detected when A. niger was grown at 30 degrees C for first five days followed by further incubation at 36 degrees C. Such a process of growing the organism at lower temperatures (growth phase) followed by producing the enzymes at higher temperatures (production phase) in case of fungal systems has not been reported so far. The zymogram staining of the beta-glucosidase demonstrated that A. niger produced only single species of beta-glucosidase. We feel that A. niger NCIM 1207 is a potential candidate to produce both beta-glucosidase and beta-xylosidase in high amounts that can be used to supplement commercial cellulase preparations.

}, keywords = {Aspergillus niger NCIM 1207, beta-glucosidase production, beta-xylosidase production}, issn = {1930-2126}, author = {Khisti, Ujwala and Bastawade, Kulbhushan B. and Gokhale, Digambar V.} } @article { ISI:000291709500006, title = {Identification of sublattice damages in swift heavy ion irradiated N-doped 6H-SiC polytype studied by solid state NMR}, journal = {Journal of Physical Chemistry B}, volume = {115}, number = {24}, year = {2011}, month = {JUN}, pages = {7766-7772}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We have studied N-doped 6H-SiC in its pristine and Swift Heavy Ion (SHI) irradiated (150 MeV Ag12+ ions) forms by solid state Nuclear Magnetic Resonance (NMR) at 7.01 T using C-13 and Si-29 as probe nuclei under magic angle spinning. We show that increased levels of nitrogen doping, than used before, lead to the observation of Knight shifts emanating from an increase in electron density in the conduction band, which in C-13 far exceed those in Si-29 MAS spectra. We have rationalized the differential effects in the MAS spectra and site-dependent paramagnetic shifts in terms of the nitrogen doping at the A, B, and C lattice sites. N-doping has a profound effect on Si-29 spin-lattice relaxation, and the site-dependent relaxation behavior is attributed to a difference in conduction electron properties at the different lattice sites. Si-29 T-1 measurements serve to identify the sublattice damages in SHI irradiated 6H-SiC. By determining the spin-lattice relaxation rates as a function of the SHI irradiation ion fluences, the change in relaxation behavior is correlated to the damage production mechanism. The sublattice damage leads to discernable changes in the interaction between the mobile unpaired electrons in the conduction band and the nuclear site, which profoundly influence the NMR relaxation properties. Our relaxation studies also provide evidence for site-dependent localized effects and a decrease in carrier spin density in the conduction band for the SHI irradiated 6H-SiC.

}, issn = {1520-6106}, doi = {10.1021/jp201367b}, author = {Viswanathan, E. and Kanjilal, D. and Sivaji, K. and Ganapathy, Subramanian} } @article { ISI:000284557000009, title = {Incorporation of zirconium in medium-pore aluminophosphate molecular sieves with AFO framework}, journal = {Microporous and Mesoporous Materials}, volume = {137}, number = {1-3}, year = {2011}, month = {JAN}, pages = {65-71}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Zirconium substituted medium pore microporous aluminophosphate molecular sieve ZrAPO-41 was prepared by hydrothermal synthesis under autogenous pressure The formation of the pure phase was confirmed by powder X-ray diffraction (XRD) and scanning electron microscopy (SEM)The thermal behaviour of the material was investigated by carrying out thermogravimetric/differential thermal analysis (TGA/DTA) The zirconium environment was studied by magic-angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy which suggests incorporation of zirconium into the framework UV-Visible diffuse reflectance study also supports the claim The temperature programmed desorption (TPD) of ammonia reveals that the acidity of ZrAPO 41 samples is higher than that of pure AlPO4-41 The catalytic activity of the samples was investigated through phenol hydroxylation reaction The result show hi E her catalytic activity for ZrAPO-41 samples compared to AlPO4-41 (C) 2010 Elsevier Inc All rights reserved

}, keywords = {AFO, Aluminophosphate, catalysis, Molecular sieve, ZrAPO 41}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2010.08.022}, author = {Chakrabortty, Dhruba and Ganguli, J. N. and Satyanarayana, C. V. V.} } @article { ISI:000290099900004, title = {Increase in efficiency of media utilization for recombinant protein production in Chinese hamster ovary culture through dilution}, journal = {Biotechnology and Applied Biochemistry}, volume = {58}, number = {1}, year = {2011}, month = {JAN}, pages = {25-31}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Animal cells are extensively used for the large-scale production of recombinant proteins. Processes and genetically engineered cell lines have been developed to enhance longevity of the culture and increase protein productivity. In this study, we tested the effect of diluting a culture of Chinese hamster ovary (CHO) cells with phosphate-buffered saline (PBS) on cell growth and efficiency of media utilization. An immunoglobulin G-expressing CHO cell line was cultured in CD CHO media followed by dilution of the culture with PBS after the end of the exponential phase. A 28\% and 61\% increase in protein yield per milliliter of media was observed in the diluted culture in the batch and fed-batch mode with glucose and protein hydrolysate feeding, respectively. To aid in analyzing the potential causes of this observed increase, an unstructured mathematical model was constructed using previously reported kinetics to simulate cell growth, nutrient utilization, and protein production. The model predicts an increase in recombinant protein yield per milliliter of media in PBS diluted cultures under both batch and fed-batch conditions, and suggests that this observed increase could at least partly be due to a decrease in inhibitor concentration in the diluted culture.

}, keywords = {chemically defined media, culture dilution, glucose consumption, inhibitor formation, recombinant protein yield}, issn = {0885-4513}, doi = {10.1002/bab.9}, author = {Thombre, Shreya and Gadgil, Mugdha} } @article { ISI:000297940300004, title = {Influence of reactive compatibilization on the structure and properties of PP/LDH nanocomposites}, journal = {Polymer International}, volume = {60}, number = {12}, year = {2011}, month = {DEC}, pages = {1688-1696}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Polypropylene (PP)/layered double hydroxide (LDH) nanocomposites were prepared by the direct melt intercalation method usingmaleic anhydride grafted polypropylene (PP-g-MAH) as a reactive compatibilizer. The compatibilization effects provided by PP-g-MAH in different weight fractions and their influence on the structure and properties of the final nanocomposites were investigated. The interactions and structural morphology of the nanocomposites were examined by Fourier transform infrared spectroscopy, X-ray diffraction and transmission electronmicroscopy. Thermal, mechanical and rheological properties of these nanocomposites were investigated as a function of compatibilizer concentration. The detailed morphological and X-ray diffraction results revealed that the degree of LDH dispersion increases as the amount of PP-g-MAH increases. Study of the linear viscoelastic properties showed that the storage modulus G{\textquoteright} is very sensitive to the microstructure of the nanocomposite. The thermal properties of the nanocomposites were significantly influenced by the weight fraction of PP-g-MAH due to the shielding and nucleating effect of exfoliated layers. Both the tensile strength and modulus showed substantial improvements with increasing PP-g-MAH content, while the elongation at break substantially decreased, although the presence of PP-gMAH somewhat improves these values. The overall results showed that 10 wt\% of compatibilizer is optimum to achieve nanocomposites with better performance. (C) 2011 Society of Chemical Industry

}, keywords = {compatibilization, layered double hydroxides, Nanocomposites, polypropylene, Rheology, thermomechanical properties}, issn = {0959-8103}, doi = {10.1002/pi.3129}, author = {Lonkar, Sunil P. and Therias, Sandrine and Leroux, Fabrice and Gardette, Jean Luc and Singh, Raj Pal} } @article {42540, title = {Interfacial electron transfer dynamics of two newly synthesized catecholate bound ruII polypyridyl-based sensitizers on TiO2 nanoparticle surface - a femtosecond pump probe spectroscopic study}, journal = {Europian Journal of Inorganic Chemistry}, year = {2011}, month = {SEP}, pages = {4187{\textendash}4197}, abstract = {

Two new catecholate-bound RuII{\textendash}polypyridine based sensitizers, (2,2'-bipyridine){ethyl 3-(4-hydroxyphenyl)-2-[(4'-methyl-2,2'-bipyridinyl-4-carbonyl)amino]propionate}{4-[2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl]benzene-1,2-diol)}ruthenium(II) hexafluorophosphate (5) and [(2,2'-bipyridine)-(4-2,2'-bipyridinyl-4-yl-phenol)-(4-{2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl}benzene-1,2-diol)]ruthenium(II) hexafluorophosphate (6) with secondary electron-donating groups (tyrosine and phenol, respectively) were synthesized and characterized. Steady-state optical absorption and emission studies confirm strong coupling between the sensitizers and TiO2 nanoparticles. Femtosecond visible transient absorption spectroscopy has been employed to study interfacial electron transfer (IET) dynamics in the dye{\textendash}nanoparticle systems to explore the influence of the secondary electron-donating groups on IET dynamics. Electron injection into the conduction band of nanoparticulate TiO2 has been confirmed by detection of the conduction band electrons in TiO2 ([e{\textendash}]TiO2CB) and radical cation of the adsorbed dye (D{\textperiodcentered}+) in real time monitored by transient absorption spectroscopy. A single exponential and pulse-width limited (\< 100 fs) electron injection has been observed. Back electron transfer (BET) dynamics have been studied by monitoring the decay kinetics of the injected electron in the conduction band of TiO2 and by the recovery of the ground state bleach. BET dynamics in dye{\textendash}TiO2 systems for complexes 5 and 6 have been compared with those of [bis(2,2'-bpy)-(4-{2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl}benzene-1,2-diol)]ruthenium(II) hexafluorophosphate (7), which does not have a secondary electron-donating group.

}, doi = {10.1002/ejic.201100411}, author = {Banerjee, Tanmay and Rawalekar, Sachin and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000296937200031, title = {Jack bean alpha-mannosidase (Jb alpha-man): tolerance to alkali, chelating and reducing agents and energetics of catalysis and inhibition}, journal = {International Journal of Biological Macromolecules}, volume = {49}, number = {5}, year = {2011}, month = {DEC}, pages = {1066-1071}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Investigations of the catalytic and structural transitions of jack bean alpha-mannosidase (Jb alpha-man) are described in the present paper. The enzyme was maximally stable at pH 5.0; however, when incubated in the pH range of 11.0-12.0, showed 1.3 times higher activity and also stability for longer time. The free amino group at or near the active site was probably involved in the stability and activation mechanism. The active site is constituted by the association of two unidentical subunits connected by disulfide linkages. The metalloenzyme has Zn(2+) ions tightly bound and chelation reduces the thermal stability of the protein. Energetics of catalysis and thermodynamics of inhibition of the enzyme were also carried out. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Alkali tolerance, alpha-Mannosidase, beta-Mercaptoethanol, Energetics, Inhibition, Metalloenzyme}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2011.08.033}, author = {Kumar, Avinash and Gaikwad, Sushama M.} } @article { ISI:000293419700048, title = {Kinetics of nitric oxide adsorption on Pd(111) surfaces through molecular beam experiments: a quantitative study}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {31}, year = {2011}, month = {AUG}, pages = {15487-15495}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A detailed kinetic picture derived by molecular beam studies of the adsorption-desorption of the NO/Pd(111) system is presented. Numerical simulations and detailed kinetic analysis show that the precursor state model of adsorption provides a valid picture of the sticking coefficient variation with surface coverage, especially at low temperatures. At higher temperatures, the precursor model gives way to the Langmuir molecular model of adsorption. All the parameters of the precursor state model have been quantified. Temperature programmed desorption (TPD) studies further show that there is a slight repulsive interaction between adsorbed NO molecules and there is only a negligible fraction of dissociated molecules on the surface for temperatures less than 500 K, as the Pd(111) surface is defect free. A Bragg-Williams (BW) lattice gas model with repulsive interactions, within the framework of mean field approach (MFA), is shown to describe the TPD spectra reasonably well.

}, issn = {1932-7447}, doi = {10.1021/jp203992r}, author = {Nagarajan, Sankaranarayanan and Thirunavukkarasu, Kandasamy and Gopinath, Chinnakonda S. and Prasad, Sudarsan D.} } @article { ISI:000292962900073, title = {Ligand dynamics controlled reverse spin cross over in bis pyrazolyl pyridine based Fe(II) complex cation with metallodithiolato anions with an example of a ferromagnetic 2:1 cocrystal of mixed Ni(III)/Ni(II) oxidation states}, journal = {Inorganica Chimica Acta}, volume = {374}, number = {1, SI}, year = {2011}, month = {AUG}, pages = {586-600}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

We report here the crystal and molecular structures of three compounds [FeL(2)] [Ni(mnt)(2)] (1), [FeL(2)](2) [Ni(mnt)(2)](3)center dot 2H(2)O (2) and [FeL(2)] [Cu(mnt)(2)]center dot 2CH(3)CN (3) where L = 2,6-bis(3,5-dimethylpyrazol-1-ylmethyl) pyridine and mnt = maleonitriledithiolate, and their detailed spectroscopic and magnetic properties using variable temperature Mssbauer, EPR, susceptibility studies, along with room temperature electron spectroscopy for chemical analysis (ESCA) studies. The observed temperature dependant high spin/low spin (HS/LS) ratios of [FeL(2)](2+) cations in these lattices, exhibiting {\textquoteleft}reverse spin cross-over{\textquoteright} measured unequivocally by Mssbauer, have been interpreted as resulting from differing amount of {\textquoteleft}void space{\textquoteright} in the lattice, a measure of the ease of lattice dynamics originating from ligand L. Differential scanning calorimetric data points this HS/LS transition to order-disorder type of second order phase transitions. While trying to test this lattice dynamics controlled property of [FeL(2)](2+) cations an unusual behavior of cocrystallization of two planar complex anions of the same type in two different oxidation states, viz. [Ni(mnt)(2)](2) and [Ni(mnt)(2)] , was observed in [FeL(2)](2+) [Ni(mnt(2))](3), supported by crystallography, ESCA chemical shifts of Ni 2p(3/2) and EPR. The susceptibility data in combination with ESCA chemical shifts of S 2p(3/2) and Ni 2p(3/2) on all the compounds reveal the importance of charge transfer between the two counter ions. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Iron complexes, Magnetism, Reverse-spin crossover, X-ray crystal structures}, issn = {0020-1693}, doi = {10.1016/j.ica.2011.02.081}, author = {Manoharan, Periakaruppan T. and Sambandam, Balaji and Amsarani, Ramamoorthy and Varghese, Babu and Gopinath, Chinnakonda S. and Nomura, Kiyoshi} } @article { ISI:000294374900007, title = {Liquid phase oxidation of p-vanillyl alcohol over synthetic Co-saponite catalyst}, journal = {Applied Clay Science}, volume = {53}, number = {2, SI}, year = {2011}, month = {AUG}, pages = {157-163}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Effect of cobalt loading on porosity of synthetic Co-saponite catalysts and on the air oxidation of p-vanillyl alcohol was studied by varying Co content in the range of 5\% to 30\% using in situ precipitation method. The pore size increased from 1.29 to 3.69 nm indicating a transition from micro to meso porosity, with increase in Co loading from 5\% to 30\%. The distribution ratio of Co(3)O(4)/CoO phases as estimated from TPR studies, also increased from 0.84 to 1.67 with increase in Co loading from 5\% to 13\% and remained almost constant (1.7) with further increase in Co loading up to 30\%. The highest activity (conversion 55\%) and selectivity of 99\% to p-vanillin obtained for 13\% Co-saponite in p-vanillyl alcohol oxidation was due to the highest distribution ratios of Co(3)O(4)/CoO phases. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Co-saponite, Cobalt oxide phase ratio, p-Vanillin, p-Vanillyl alcohol oxidation, Porosity transition, Temperature programmed reduction}, issn = {0169-1317}, doi = {10.1016/j.clay.2010.10.026}, author = {Garade, Ajit C. and Biradar, Narayan S. and Joshi, S. M. and Kshirsagar, V. S. and Jha, Ratnesh Kumar and Rode, Chandrashekhar V.} } @article { ISI:000289518000002, title = {Magnetite/CdTe magnetic-fluorescent composite nanosystem for magnetic separation and bio-imaging}, journal = {Nanotechnology}, volume = {22}, number = {22}, year = {2011}, month = {JUN}, pages = {Article No. 225101}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

A new synthesis protocol is described to obtain a CdTe decorated magnetite bifunctional nanosystem via dodecylamine (DDA) as cross linker. High resolution transmission electron microscopy (HRTEM), energy-dispersive x-ray spectroscopy (EDAX), vibrating sample magnetometry (VSM), Fourier transform infrared spectroscopy (FTIR), diffuse reflectance spectroscopy (DRS) and fluorescence microscopy are used to characterize the constitution, size, composition and physical properties of these superparamagnetic-fluorescent nanoparticles. These CdTe decorated magnetite nanoparticles were then functionalized with anti-epidermal growth factor receptor (EGFR) antibody to specifically target cells expressing this receptor. The EGFR is a transmembrane glycoprotein and is expressed on tumor cells from different tissue origins including human leukemic cell line Molt-4 cells. The magnetite-CdTe composite nanosystem is shown to perform excellently for specific selection, magnetic separation and fluorescent detection of EGFR positive Molt-4 cells from a mixed population. Flow cytometry and confocal laser scanning microscopy results show that this composite nanosystem has great potential in antibody functionalized magnetic separation and imaging of cells using cell surface receptor antibody.

}, issn = {0957-4484}, doi = {10.1088/0957-4484/22/22/225101}, author = {Kale, Anup and Kale, Sonia and Yadav, Prasad and Gholap, Haribhau and Pasricha, Renu and Jog, Jyoti Prakash and Lefez, Benoit and Hannoyer, Beatrice and Shastry, Padma and Ogale, Satishchandra B.} } @article { ISI:000290345300002, title = {Mapping of QTLs governing agronomic and yield traits in chickpea}, journal = {Journal of Applied Genetics}, volume = {52}, number = {1}, year = {2011}, month = {FEB}, pages = {9-21}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Chickpea is one of the most important leguminous cool season food crops, cultivated prevalently in South Asia and Middle East. The main objective of this study was to identify quantitative trait loci (QTLs) associated with seven agronomic and yield traits in two recombinant inbred line populations of chickpea derived from the crosses JG62xVijay (JV population) and VijayxICC4958 (VI population) from at least three environments. Single locus QTL analysis involved composite interval mapping (CIM) for individual traits and multiple-trait composite interval mapping (MCIM) for correlated traits to detect pleiotropic QTLs. Two-locus analysis was conducted to identify the main effect QTLs (M-QTLs), epistatic QTLs (E-QTLs) and QTL x environment interactions. Through CIM analysis, a total of 106 significant QTLs (41 in JV and 65 in VI populations) were identified for the seven traits, of which one QTL each for plant height and days to maturity was common in both the populations. Six pleiotropic QTLs that were consistent over the environments were also identified. LG2 in JV and LG1a in VI contained at least one QTL for each trait. Hence, concentrating on these LGs in molecular breeding programs is most likely to bring simultaneous improvement in these traits.

}, keywords = {Cicer arietinum, QTL analysis, QTL x environment interaction, Two-locus analysis, Yield traits}, issn = {1234-1983}, doi = {10.1007/s13353-010-0016-y}, author = {Gowda, S. J. M. and Radhika, P. and Mhase, L. B. and Jamadagni, B. M. and Gupta, V. S. and Kadoo, Narendra Y.} } @article { ISI:000295843900024, title = {MgCl2 center dot 6PhCH(2)OH - a new molecular adduct as support material for ziegler-natta catalyst: synthesis, characterization and catalytic activity}, journal = {Dalton Transactions}, volume = {40}, number = {41}, year = {2011}, month = {SEP}, pages = {10936-10944}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Benzyl alcohol has been used to prepare a single phase MgCl2 center dot 6BzOH molecular adduct as a support for an ethylene polymerization catalyst (Ziegler catalyst). The structural, spectroscopic and morphological aspects of the MgCl2 center dot 6BzOH molecular adduct and the Ziegler catalyst have been thoroughly studied by various physicochemical characterization techniques. The presence of MgO6 octahedrons due to the interaction of Mg2+ with six -OH groups of the benzyl alcohol is confirmed from a Raman feature at 703 cm(-1), and structural studies. The supported catalyst activity has been evaluated for the ethylene polymerization reaction. The lower polymerization activity of the titanated Ziegler-Natta catalyst compared with a standard catalyst is attributed to the strong interaction of titanium chloride with the support and associated electronic factors.

}, issn = {1477-9226}, doi = {10.1039/c1dt10786k}, author = {Gnanakumar, Edwin S. and Thushara, K. S. and Bhange, Deu S. and Mathew, Renny and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Bhaduri, Sumit and Gopinath, Chinnakonda S.} } @article { ISI:000292118800013, title = {Morphological changes in nanoparticulate silver films due to electron beam irradiation of polystyrene substrates}, journal = {Nuclear Instruments \& Methods in Physics Research Section B-Beam Interactions With Materials and Atoms}, volume = {269}, number = {13}, year = {2011}, month = {JUL}, pages = {1534-1539}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Results of the studies on the effect of 8 MeV electron beam irradiation of polystyrene substrates on the morphology of silver particulate films deposited at 455 K in a vacuum of 8 x 10(-6) Torr are reported. Optical absorption studies show the presence of transverse and longitudinal plasmon resonance for films deposited on irradiated polystyrene. Scanning electron microscopy reveals a decrease in particle size with smaller inter-particle separation for irradiated films. Larger clusters are formed in the case of films deposited on polystyrene after 300 h of irradiation. In this paper, we show that the morphology of silver nanoparticulate films can be modified by electron irradiation of inert polymer substrates like polystyrene. The change observed due to irradiation is attributed to the formation of free radicals, thereby altering the polymer-metal interaction. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Electron bombardment, Optical properties, Particulate films, Polymers, Silver, surface morphology}, issn = {0168-583X}, doi = {10.1016/j.nimb.2011.04.109}, author = {Pattabi, Manjunatha and Gurumurthy, S. C. and Sanjeev, Ganesh and Gaikwad, A. B.} } @article { ISI:000295259700041, title = {N-Heterocyclic carbene catalyzed umpolung of michael acceptors for intermolecular reactions}, journal = {Angewandte Chemie-International Edition}, volume = {50}, number = {36}, year = {2011}, month = {AUG}, pages = {8412-8415}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

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

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

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

}, doi = {10.1021/ol102626p}, author = {Padmanaban, Mohan and Biju, Akkattu T. and Glorius, Frank} } @article { ISI:000294413400023, title = {Numerical and experimental studies on extrudate swell of branched polyethylene through axisymmetric and planar dies}, journal = {Journal of Polymer Engineering}, volume = {31}, number = {2-3, SI}, year = {2011}, month = {JUL}, pages = {217-221}, publisher = {WALTER DE GRUYTER \& CO}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {

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

}, keywords = {ALE-FEM, extrudate swell, polymer flow simulations, XPP}, issn = {0334-6447}, doi = {10.1515/POLYENG.2011.046}, author = {Ganvir, Vivek and Gautham, Basavarsu P. and Thaokar, Rochish and Lele, Ashish K. and Pol, Harshwardhan} } @article { ISI:000289600300032, title = {One-step in situ synthesis of NHx-adsorbed rhodium nanocrystals at liquid-liquid interfaces for possible electrocatalytic applications}, journal = {Journal of Colloid and Interface Science}, volume = {358}, number = {1}, year = {2011}, month = {JUN}, pages = {238-244}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Nearly monodisperse rhodium nanoparticles with adsorbed NHx were synthesized at the CCl4-water interface. The presence of NHx-adsorbed species was confirmed by energy-dispersive X-ray analysis (EDX) and X-ray photoelectron spectroscopy (XPS) studies. The synthesis of controlled size 2-38 nm rhodium particles was studied as a function of reducing agent concentration by transmission electron microscopy (TEM). HRTEM confirmed the formation of rhodium nanoparticles having fringe spacing consistent with reported Rh (1 1 1) planes. The continuity of these films over an area of 1 x 1 pm was revealed by atomic force microscopy (AFM) studies. The electrocatalytic application of these nanostructure Rh-NHx), thin films for formaldehyde oxidation in 0.5 M NaOH was investigated by cyclic voltammetry. The Rh nanoparticles formed by the present strategy are expected to be useful for other catalytic applications also. (C) 2011 Elsevier Inc. All rights reserved.

}, keywords = {Hydrazine hydrate, Liquid-liquid interface, Nanoparticles, Rhodium, Thin films}, issn = {0021-9797}, doi = {10.1016/j.jcis.2011.02.065}, author = {Patil, V. S. and Krishna, S. R. and Hawaldar, Ranjit R. and Gaikwad, A. B. and Sathaye, S. D. and Patil, K. R.} } @article { ISI:000286850000004, title = {Oxidative carbonylation of amine using water-soluble palladium catalysts in biphasic media}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {334}, number = {1-2}, year = {2011}, month = {JAN}, pages = {20-28}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Application of water-soluble palladium catalysts for oxidative carbonylation of aniline to N,N{\textquoteright} diphenyl urea (DPU) has been reported. The water-soluble palladium catalysts prepared from sulfonated N-containing ligands were found to be highly stable under reaction conditions and easily recyclable due to insoluble urea product in the reaction medium. This is in contrast to the sulfonated phosphine ligands, which are vulnerable to oxidation under reaction conditions, showing poor activity and stability. Commercially available as well as laboratory synthesized ligands were used for preparing water-soluble palladium catalysts, for oxidative carbonylation of aniline. The best activity was obtained for Pd complex with disodium 2,2{\textquoteright}-bipyridine-4,4{\textquoteright}-disulfonate (Bipy-DS) ligand. Under optimized conditions Pd(BipyDS)Pd(OAc)(2) catalyst gave TOF of similar to 210h(-1) with aniline conversion of similar to 97\% with similar to 91\% selectivity for N.N{\textquoteright}-diphenyl urea. It was found that the catalyst was easily reusable up to five times, with negligible loss in the catalytic activity. The effect of reaction parameters was investigated and a plausible reaction mechanism has been proposed. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Amine, Biphasic catalysis, Carbonylation, Urea, Water-soluble palladium catalyst}, issn = {1381-1169}, doi = {10.1016/j.molcata.2010.10.018}, author = {Didgikar, Mahesh R. and Joshi, Sunil S. and Gupte, Sunil P. and Diwakar, Makarand M. and Deshpande, Raj Madhukar and Chaudhari, Raghunath V.} } @article { ISI:000295000900025, title = {Oxidative dehydrogenation of ethylbenzene using nitrous oxide over vanadia-magnesia catalysts}, journal = {Catalysis Science \& Technology}, volume = {1}, number = {7}, year = {2011}, month = {AUG}, pages = {1262-1270}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of V-Mg-O catalysts with different loadings of vanadia were prepared by the wet impregnation method and the effect of the local structure of these catalysts on the oxidative dehydrogenation of ethylbenzene with N(2)O was investigated. High styrene selectivity (similar to 97\%) was obtained at 773 K. The characterization of catalysts with methods such as XRD, FTIR, UV-visible, TPR, NMR and Laser Raman spectroscopy suggested that magnesium orthovanadate is the predominant vanadium containing phase and the size of the orthovanadate domains increases with increasing vanadia loading. The rate of ODH of ethylbenzene per V atom increases with vanadia loading and reaches a maximum at 10 wt\%. The specific activity, i.e. the conversion of ethylbenzene per unit surface area of the catalysts, also exhibited a maximum at a vanadia loading of 10 wt\% leading to the conclusion that activity of these catalysts is due to the presence of very small domains of Mg(3)(VO(4))(2) on the surface of MgO rather than crystallites of bulk Mg(3)(VO(4))(2). The higher styrene yield in the presence of N(2)O can be ascribed to the ability of N(2)O to keep vanadium species at a higher oxidation state.

}, issn = {2044-4753}, doi = {10.1039/c1cy00168j}, author = {Shiju, N. Raveendran and Anilkumar, Mettu and Gokhale, S. P. and Rao, B. Seshagiri and Satyanarayana, C. V. V.} } @article { ISI:000296821900021, title = {Perspectives for nano-biotechnology enabled protection and nutrition of plants}, journal = {Biotechnology Advances}, volume = {29}, number = {6}, year = {2011}, month = {NOV}, pages = {792-803}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Indiscriminate use of pesticides and fertilizers causes environmental pollution, emergence of agricultural pests and pathogens, and loss of biodiversity. Nanotechnology, by virtue of nanomaterial related properties, has potential agro-biotechnological applications for alleviation of these problems. The literature pertaining to the role of nanotechnology in plant and soil systems demonstrates that nanomaterials may assist in a) the controlled release of agrochemicals for nutrition and protection against pests and pathogens, b) delivery of genetic material, c) sensitive detection of plant disease and pollutants and d) protection and formation of soil structure. For instance, porous silica (15 nm) and biodegradable, polymeric chitosan (78 nm) nanoparticles displayed slow release of encapsulated pesticide and fertilizer, respectively. Further, nanosized gold (5-25 nm) delivered DNA to plant cells while iron oxide (30 nm) based nanosensors detected pesticides at minute levels. These functions assist the development of precision farming by minimizing pollution and maximizing the value of farming practice. (C) 2011 Elsevier Inc. All rights reserved.

}, keywords = {Biofertilizer, Biopesticides, Controlled delivery, Fertilizer, Genetic material, Nanomaterials, Nanosensors, Pathogen, Pesticides, Residues}, issn = {0734-9750}, doi = {10.1016/j.biotechadv.2011.06.007}, author = {Ghormade, Vandana and Deshpande, Mukund V. and Paknikar, Kishore M.} } @article {42521, title = {Photoactive RuII-polypyridyl complexes that display sequence selectivity and high-affinity binding to duplex DNA through groove binding}, journal = {Chemistry A European Journal}, volume = {17}, year = {2011}, month = {FEB}, pages = {2089{\textendash}2098}, abstract = {

The duplex-DNA binding properties of a nonintercalating polypyridyl ruthenium(II) complex that incorporates a linear extended ligand with a catechol moiety has been probed with a variety of photo- and biophysical techniques. These studies reveal that the complex groove binds to DNA sequences biphasically, and displays binding constants equivalent to those of high-affinity metallointercalators. The complex also displays preferential binding to AT-rich sequences. Changes in the structure of the coordinated catechol ligand and the incorporation of intercalating ancillary ligands into the complex were found to modulate both the optical-binding response and binding parameters of the system, which indicates that the catechol moiety plays a crucial role in the observed enhancement to binding affinities.

}, doi = {10.1002/chem.201002149}, author = {Ghosh, Amrita and Das, Priyadip and Gill, Martin R. and Kar, Prasenjit and Walkar, Michael G. and Thomas, Jim A. and Das, Amitava} } @article { ISI:000288179600007, title = {Photoelectrochemical applications of In2Se3 thin films by chemical deposition}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {22}, number = {4}, year = {2011}, month = {APR}, pages = {359-364}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Indium selenide films have been synthesized by chemical bath deposition method onto stainless steel plate. The configuration of fabricated cell is n-In2Se3| NaOH(1 M) + S(1 M) + Na2S(1 M) |C-(graphite). Characterization of the photoelectrochemical cell was carried out by studying X-ray diffraction, current-voltage and capacitance-voltage characteristics in the dark, barrier height measurements, power output, photoresponse and spectral response. The study shows that the In2Se3 thin films are n-type semiconductor. The junction ideality factor was found to be 3.24. The flat band potential and the barrier height were found to be 0.720 V and 0.196 eV, respectively. From the study of power output characteristics, open circuit voltage, short circuit current, fill factor and efficiency were found to be 310 mV, 20 mu A, 37.64 and 0.61\%, respectively. Photoresponse studies show that the lighted ideality factor is 2.78. Maximum current was observed at 575 nm.

}, issn = {0957-4522}, doi = {10.1007/s10854-010-0142-7}, author = {Hankare, P. P. and Rathod, K. C. and Asabe, M. R. and Jadhav, A. V. and Helavi, V. B. and Chavan, Santosh S. and Garadkar, K. M. and Mulla, Imtiaz S.} } @article {42541, title = {Photophysical properties of ligand localized excited state in ruthenium(ii) polypyridyl complexes: a combined effect of electron donor-acceptor ligand}, journal = {Dalton Trans}, volume = {40}, year = {2011}, month = {AUG}, pages = {9765-9773}, abstract = {

We have synthesized ruthenium(II) polypyridyl complexes (1) Ru(II)(bpy)2(L1), (2) Ru(II)(bpy)2(L2) and (3) Ru(II)(bpy)(L1)(L2), where bpy = 2,2'-bipyridyl, L1 = 4-[2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl]benzene-1,2-diol) and L2 = 4-(N,N-dimethylamino-phenyl)-(2,2'-bipyridine) and investigated the intra-ligand charge transfer (ILCT) and ligand{\textendash}ligand charge transfer (LLCT) states by optical absorption and emission studies. Our studies show that the presence of electron donating {\textendash}NMe2 functionality in L2 and electron withdrawing catechol fragment in L1 ligands of complex 3 introduces low energy LLCT excited states to aboriginal MLCT states. The superimposed LLCT and MLCT state produces redshift and broadening in the optical absorption spectra of complex 3 in comparison to complexes 1 and 2. The emission quantum yield of complex 3 is observed to be extremely low in comparison to that of complex 1 and 2 at room temperature. This is attributed to quenching of the 3MLCT state by the low-emissive 3LLCT state. The emission due to ligand localized CT state (ILCT and LLCT) of complexes 2 and 3 is revealed at 77 K in the form of a new luminescence band which appeared in the 670{\textendash}760 nm region. The LLCT excited state of complex 3 is populated either via direct photoexcitation in the LLCT absorption band (350{\textendash}700 nm) or through internal conversion from the photoexcited 3MLCT (400{\textendash}600 nm) states. The internal conversion rate is determined by quenching of the 3MLCT state in a time resolved emission study. The internal conversion to LLCT and ILCT excited states are observed to be as fast as \~{}200 ps and \~{}700 ps for complexes 3 and 2, respectively. The present study illustrates the photophysical property of the ligand localized excited state of newly synthesized heteroleptic ruthenium(II) polypyridyl complexes.

}, doi = {10.1039/C1DT10266D}, author = {Verma, Sandeep and Kar, Prasenjit and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000286055700020, title = {PNAs grafted with (alpha/gamma, R/S)-aminomethylene pendants: Regio and stereo specific effects on DNA binding and improved cell uptake}, journal = {Chemical Communications}, volume = {47}, number = {4}, year = {2011}, month = {JAN}, pages = {1198-1200}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

PNAs grafted with cationic aminomethylene (am) pendants on the backbone at the glycyl (alpha) or ethylenediamine (gamma) segments show regio (alpha/gamma) and stereochemistry (R/S) dependent binding with complementary DNA. These are efficiently taken up by cells, with gamma(S-am) aeg-PNA being the best in all properties.

}, issn = {1359-7345}, doi = {10.1039/c0cc03988h}, author = {Mitra, Roopa and Ganesh, Krishna N.} } @article { ISI:000287092000035, title = {Porosity driven photocatalytic activity of wormhole mesoporous TiO2-xNx in direct sunlight}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {8}, year = {2011}, month = {JAN}, pages = {2639-2647}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Results obtained by combining four important factors simultaneously, namely, wormhole mesoporosity with low diffusion length for charge carriers, high surface area, nanoparticles with high crystallinity, and visible light absorption due to N-doping, in titania (meso-TiO2-xNx) are reported. Meso-TiO2-xNx materials have been prepared by a combustion method within 10 min and by varying urea : Ti(NO3)(4) between 1 (UT1) and 10 (UT10). All of the prepared materials have been thoroughly characterised. Nanocrystalline anatase phase with high surface area (234 m(2) g(-1)), and type-IV H-3-mesoporosity is observed with UT10. Photocatalytic rhodamine-B degradation was employed to screen for the activity of the materials, and p-anisyl alcohol oxidation to p-anisaldehyde was carried out successfully in aqueous solution under direct sunlight. High photocatalytic activity of UT10 in direct sunlight, in spite of high band gap (3.24 eV), is attributed to the better utilization of holes due to the low charge diffusion barrier associated with wormhole mesoporosity along with highly crystalline, however, nanoparticulate TiO2-xNx.

}, issn = {0959-9428}, doi = {10.1039/c0jm03825c}, author = {Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S.} } @article { ISI:000296172800062, title = {Possible deNO(x) management under net oxidizing conditions: a molecular beam study of (NO)-N-15+CO+O-2 reaction on Pd(111) surfaces}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {43}, year = {2011}, month = {NOV}, pages = {21299-21310}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Isothermal kinetic measurements of (NO)-N-15 reduction with CO on Pd(111) surfaces were carried out under net-oxidizing conditions with (NO)-N-15 + CO + O-2, using a molecular beam instrument (MBI). Transient state (TS) and steady state (SS) kinetic details of the above reaction were obtained for a wide range of temperature and beam compositions, especially with O-2-rich compositions. Increasing O-2 content, generally, suppresses (NO)-N-15 reduction in the SS; nonetheless, irrespective of O-2 content, N-15(2) was produced in TS, and to a significant extent under SS conditions too. Sustainable N-2 production between 450 and 600 K and with low to moderate amount of oxygen was observed, and the extent of NO decomposition was also quantified. The ratio of N-15(2): (N2O)-N-15 was generally found to be around 8:1 under most of the reaction conditions. Maxima in the SS reaction rates of all products were observed between 500 and 600 K. Compared to other elementary reaction steps, a slow decay observed with N + N -\> N-2 step under SS beam oscillation conditions demonstrates its contribution to the rate limiting nature of the overall reaction. Fast beam switching experiments have been performed alternately between O-2-lean and -rich conditions, thus highlighting the effectiveness of (NO)-N-15 reduction in TS, irrespective of the beam composition. Possibly in a future technology initiative, this aspect could be exploited to manage more (NO)-N-15 reduction on Pd-based catalysts.

}, issn = {1932-7447}, doi = {10.1021/jp207092s}, author = {Nagarajan, Sankaranarayanan and Thirunavukkarasu, Kandasamy and Gopinath, Chinnakonda S.} } @article { ISI:000288386600095, title = {Probing the furanose conformation in the 2 {\textquoteleft}-5 {\textquoteleft} strand of isoDNA:RNA duplexes by freezing the nucleoside conformations}, journal = {Chemical Communications}, volume = {47}, number = {13}, year = {2011}, month = {FEB}, pages = {4007-4009}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Sugar conformations in the isoDNA strand of isoDNA : RNA duplexes are preferred S-type locked/frozen in contrast to N-type locked conformations preferred in DNA: RNA duplexes.

}, issn = {1359-7345}, doi = {10.1039/c0cc05402j}, author = {Erande, Namrata D. and Gunjal, Anita D. and Fernandes, Moneesha and Kumar, Vaijayanti A.} } @article { ISI:000294122000044, title = {Propargyl/methyl furanosides as potential glycosyl donors}, journal = {Chemical Communications}, volume = {47}, number = {35}, year = {2011}, month = {AUG}, pages = {9906-9908}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Transfuranosylations are not well studied though many similar studies exist for transpyranosylation; herein, we report that propargyl/methyl D-ribf- and D-lyxf- give only 1,2-trans glycosides whereas D-araf- and D-xylf- result in a mixture of 1,2-trans and 1,2-cis glycosides; observed facts are rationalised by computational studies.

}, issn = {1359-7345}, doi = {10.1039/c1cc13134f}, author = {Vidadala, Srinivasa Rao and Gayatri, Gaddamannugu and Sastry, G. Narahari and Hotha, Srinivas} } @article { ISI:000294345100006, title = {Purification and characterization of bacterial aryl alcohol oxidase from sphingobacterium sp ATM and Its uses in textile dye decolorization}, journal = {Biotechnology and Bioprocess Engineering}, volume = {16}, number = {4}, year = {2011}, month = {AUG}, pages = {661-668}, publisher = {KOREAN SOC BIOTECHNOLOGY \& BIOENGINEERING}, address = {KOREAN SCIENCE TECHNOLOGY CENTER, \#704 YEOGSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA}, abstract = {

Aryl alcohol oxidase (AAO) produced by dye decolorizing bacteria Sphingobacterium sp. ATM, was purified 22.63 fold to a specific activity of 21.75 mu mol/min/mg protein using anion exchange and size exclusion chromatography. The molecular weight of the purified AAO was found to be 71 kDa using sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE), and confirmed by zymography of AAO using L-dopa. The enzyme showed substrate specificity towards veratryl alcohol, followed by n-propanol. The optimum pH and temperature of purified AAO were found to be 3.0 and 40 degrees C, respectively. The K(m) and V(max) of AAO was 1.1615 mM and 3.13 mM/min when veratryl alcohol was used as substrate. Sodium azide showed maximum inhibition while ethylenediamine tetra acetic acid (EDTA), L-cysteine and dithiothreitol showed slight inhibition. Metal ions also showed slight inhibition. HPLC analysis confirmed the degradation of Direct Red 5B. The metabolite obtained after decolorization of Direct Red 5B was characterized as 3 diazenyl 7 [-(phenyl carbonyl) amino] naphthalene-2-sulfonic acid using GC-MS analysis.

}, keywords = {aryl alcohol oxidase, Direct Red 5B, dye decolorization, ion exchange chromatography, Sphingobacterium sp ATM}, issn = {1226-8372}, doi = {10.1007/s12257-011-0031-9}, author = {Tamboli, Dhawal P. and Telke, Amar A. and Dawkar, Vishal V. and Jadhav, Shekhar B. and Govindwar, Sanjay P.} } @article {42536, title = {Receptor design and extraction of inorganic fluoride ion from aqueous medium}, journal = {Chemical Communications}, volume = {47}, year = {2011}, month = {MAY}, pages = {7398-7400}, abstract = {

A receptor with acidic methylene hydrogens is found to act as an efficient binding mode for F-. This reagent could as well be used for selective and quantitative extraction of F- from the aqueous solution of NaF and sea water.

}, doi = {10.1039/C1CC11458A}, author = {Das, Priyadip and Mandal, Amal Kumar and Kesharwani, Manoj K. and Suresh, Eringathodi and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000293546100005, title = {Removal of metal ions from aqueous solution using trioctyl phosphine oxide-containing mixed solvents in conjunction with a fibre-supported solid membrane}, journal = {Adsorption Science \& Technology}, volume = {29}, number = {2}, year = {2011}, month = {JAN}, pages = {169-183}, publisher = {MULTI-SCIENCE PUBL CO LTD}, address = {5 WATES WAY, BRENTWOOD CM15 9TB, ESSEX, ENGLAND}, abstract = {

A novel method has been developed for the removal of mercury, arsenic and tin ions using a fibre-supported solid membrane placed between the source phase and the receiving phase which contained trioctyl phosphine oxide (TOPO) in a mixed solvent. The fibre-supported solid membrane was prepared by the esterification of cellulose fibre with tartaric acid at 120 degrees C. The experimental variables explored were the initial concentration of the metal ion (10(-2) to 10(-4) M) in the source phase, the type of mixed solvent employed [containing TOPO, TOPO + acetone, TOPO + tetrahydrofuran, TOPO + 1,4-dioxane, TOPO + methanol, TOPO + ethanol or TOPO + 2-propanol (20-80\% v/v)], the concentration of HCl (0.25-1 M) in the receiving phase and the stirring speed (50-130 rpm) of the bulk source and the receiving phase. The efficiency of the organic solvent in the mixed solvent followed the order: TOPO + tetrahydrofuran \> TOPO + 1,4-dioxane \> TOPO + acetone \> TOPO + 2-propanol \> TOPO + ethanol \> TOPO + methanol \> TOPO. The separation of the metal ions was discussed.

}, issn = {0263-6174}, author = {Gaikwad, Abaji G.} } @article { ISI:000291908500016, title = {Reply to the comments of vicente et al. on {\textquoteleft}{\textquoteleft}liquid phase oxidation of p-vanillyl alcohol over synthetic co-saponite catalyst{\textquoteright}{\textquoteright} applied clay science (2010), doi:10.1016/j.clay.2010.10.026}, journal = {Applied Clay Science}, volume = {52}, number = {4}, year = {2011}, month = {JUN}, pages = {432}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0169-1317}, doi = {10.1016/j.clay.2011.04.008}, author = {Rode, Chandrashekhar V. and Garade, Ajit C. and Biradar, Narayan S. and Kshirsagar, V. S.} } @article { ISI:000290940400021, title = {Role of doping-induced photochemical and microstructural properties in the photocatalytic activity of InVO4 for splitting of water}, journal = {Journal of Materials Science}, volume = {46}, number = {16}, year = {2011}, month = {AUG}, pages = {5466-5476}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

We report in this paper on microstructural, optical and photocatalytic properties of single-phase indium orthovanadates, as a function of doping at lattice sites. The UV-visible spectra of these samples exhibited intense UV-region bands at 250 and 350 nm, besides broad absorption band in visible region (350-700 nm). The wavelength at absorption edge and the intensity of visible absorption showed considerable increase on doping of an impurity, particularly at V or O lattice sites. Also, the samples gave rise to blue-green photoluminescence emission, with overriding bands at ca. 420, 450, 460 and 485 nm, on excitation at 240-420 nm wavelengths. The intensity of these fluorescence bands varied with excitation wavelength and impurity content of a sample. In deviation with several earlier studies, only oxygen and no hydrogen were produced during photocatalytic splitting of water, in the experiments conducted under visible light (\> 395 nm) and at a pH of similar to 6.5. The O-2 yield depended on the dispersed metal co-catalyst, impurity content and the addition of methanol as sacrificial reagent. On the other hand, small quantities of hydrogen and no oxygen were evolved on UV-irradiation of pure water using metal/InVO4. These results are ascribed to flat band potentials and the doping-induced inter-band donor and acceptor charge trapping states of InVO4, the presence of which is revealed by XRD, luminescence and XPS studies. Our study also confirms that the onset of absorption edge may not necessarily correspond to band-to-band energy gap of a semiconducting material. This accounts for some anomalous band gap energies reported earlier for InVO4.

}, issn = {0022-2461}, doi = {10.1007/s10853-011-5489-5}, author = {Rakesh, K. and Khaire, S. and Bhange, Deu S. and Dhanasekaran, P. and Deshpande, Suvarna S. and Awate, S. V. and Gupta, N. M.} } @article { ISI:000288529500015, title = {Role of lattice defects and crystallite morphology in the UV and visible-light-induced photo-catalytic properties of combustion-prepared TiO2}, journal = {Materials Chemistry and Physics}, volume = {126}, number = {3}, year = {2011}, month = {APR}, pages = {546-554}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The physico-chemical, photo-physical and micro-structural properties responsible for the strikingly different photocatalytic behavior of combustion-prepared TiO2 (c.TiO2) and Degussa P25 (d.TiO2) samples are elucidated in this study. Electron microscopy and selected area electron diffraction micrographs revealed that the two samples exhibited different morphologies. The grains of c.TiO2 were spherical and comprised of 5-6 nm size primary particle. On the other hand, d.TiO2 consisted of large (0.5-3.0 mu m) size and irregular shape aggregates having primary particles of 15-40 nm cross-sectional diameter. The ESR study revealed that the presence of certain defect states in c.TiO2 helped in stabilization of O-. and Ti3+-OH type species during room-temperature UV-irradiation. No such paramagnetic species were however formed over d.TiO2 under similar conditions. C1s and Ti 2p XPS spectra provide evidence for the presence of some lattice vacancies in c.TiO2 and also for the bulk Ti4+ -\> Ti3+ conversion during its UV-irradiation. Compared to d.TiO2, c.TiO2 displayed considerably higher activity for discoloration of methyl orange but very poor activity for splitting of water, both under UV and visible light radiations. This is attributed to enhanced surface adsorption of dye molecules over c.TiO2, because of its textural features and also the presence of photo-active ion-radicals. On the other hand, the poor activity of c.TiO2 for water splitting is related to certain defect-induced inter-band charge trapping states in the close vicinity of valence and conduction bands of c.TiO2, as revealed by thermoluminescence spectroscopy. Further, the dispersion of nanosize gold particles gave rise to augmented activity of both the catalysts, particularly for water splitting. This is explained by the promotional role of Au-0 or Au-0/TiO2 interfacial sites in the adsorption and charge-adsorbate interaction processes. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Band-structure, Interfaces, Microstructure, Nanostructures, Semiconductors}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2011.01.029}, author = {Deshpande, Aparna and Madras, Giridhar and Gupta, N. M.} } @article { ISI:000291113200050, title = {Role of micro-structure and interfacial properties in the higher photocatalytic activity of TiO2-supported nanogold for methanol-assisted visible-light-induced splitting of water}, journal = {Physical Chemistry Chemical Physics}, volume = {13}, number = {23}, year = {2011}, month = {MAY}, pages = {11329-11339}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This paper deals with the textural, microstructural and interfacial properties of Au/TiO2 nanocomposites, in relation to their photocatalytic activity for splitting of water. TiO2 samples of two different morphologies were employed for dispersing different cocatalysts, such as: Au, Pt, Ag or Cu, for the sake of comparison. The samples were characterized using powder XRD, XPS, UV-visible, thermoluminescence, SEM, HRTEM and SAED techniques. Compared to other metal/TiO2 photocatalysts, Au/TiO2 with an optimum gold loading of 1 wt\% was found to exhibit considerably higher activity for visible light induced production of H-2 from splitting water in the presence of methanol. Further, the sol-gel prepared TiO2 (s.TiO2), having spherical grains of 10-15 nm size, displayed better photoactivity than a Degussa P25 catalyst. The electron microscopy investigations on s.TiO2 revealed significant heterogeneity in grain morphology of individual TiO2 particles, exposure of the lattice planes, metal dispersion, and the interfacial metal/TiO2 contacts. The gold particles were found to be in a better dispersed state. O-2 TPD experiments revealed that the gold nanoparticles and Au/TiO2 interfaces may serve as distinct binding sites for adsorbate molecules. At the same time, our thermoluminescence measurements provide an insight into Au-induced new defect states that may facilitate the semiconductor-to-metal charge transfer transition. In conclusion, the superior photocatalytic activity of Au/TiO2 may relate to the grain morphology of TiO2, dispersion of gold particles, and the peculiar architecture of metal/oxide heterojunctions; giving rise in turn to augmented adsorption of reactant molecules and their interaction with the photo-generated e(-)/h(+) pair. The role played by methanol as a sacrificial reagent in photocatalytic splitting of water is discussed.

}, issn = {1463-9076}, doi = {10.1039/c1cp21194c}, author = {Awate, S. V. and Deshpande, Suvarna S. and Rakesh, K. and Dhanasekaran, P. and Gupta, N. M.} } @article { ISI:000289716300080, title = {Role of promoters in copper chromite catalysts for hydrogenolysis of glycerol}, journal = {Catalysis Today}, volume = {164}, number = {1}, year = {2011}, note = {1st Joint International Conference of the 8th Tokyo Conference on Advanced Catalytic Science and Technology/5th Asia Pacific Congress on Catalysis, Sapporo, JAPAN, JUL 18-23, 2010}, month = {APR}, pages = {447-450}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Various copper chromite catalysts with and without promoters were prepared by simultaneous co-precipitation and digestion technique and the role of promoters (Al, Ba and Zn) was investigated for hydrogenolysis of glycerol to 1,2-propylene glycol (1,2-PG) in both batch and continuous operations. Among various promoters studied, copper chromite catalyst with Ba as a promoter showed the highest activity and selectivity of 85\% to 1,2-PG. This catalyst was found to be active for more than 800 h in a continuous operation also. Ammonia TPD results showed that barium promoted copper chromite catalyst had the highest acidity which facilitates the dehydration of glycerol to acetol which is the first step in hydrogenolysis of glycerol to 1,2-PG. The effect of barium content and variation in the promoters combination was also studied. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {1, 2-Propylene glycol, Acetol, Ammonia TPD, Glycerol hydrogenolysis, Surface acidity}, issn = {0920-5861}, doi = {10.1016/j.cattod.2010.10.032}, author = {Mane, R. B. and Ghalwadkar, Ajay A. and Hengne, Amol M. and Suryawanshi, Y. R. and Rode, C. V.} } @article { ISI: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: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: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: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: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: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: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 {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: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: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: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: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: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:000291293600027, title = {Synthesis of cube-shaped gold nanostructures by electron irradiation}, journal = {Materials Letters}, volume = {65}, number = {11}, year = {2011}, month = {JUN}, pages = {1605-1607}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The needle-like gold nanostructures were synthesized by using chloroauric acid (HAuCl(4)) as a metal precursor and sodium borohydride (NaBH(4)) as the reducing agent. These needle-like nanostructures of gold were irradiated with high energy electrons (E-6 MeV, phi similar to 10(12) e cm(-2) s(-1)). The pre- and post-irradiated gold nanostructures were characterized by Scanning Electron Microscopy (SEM), UV-vis spectroscopy, X-ray Diffraction (XRD) and contact angle measurement (GBX-Model Digidrop) techniques. The results of the SEM revealed that after electron irradiation, the needle-like gold structures got fragmented into identical cube-shaped gold nanostructures, though of different sizes. The XRD analysis indicated that the average crystallite size of the gold nanostructures remained unchanged even after irradiation with high energy electrons. A glass surface showed hydrophilic behavior when coated with needle-like nanostructures and became ultra hydrophilic when coated with cube-shaped gold nanostructures. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Gold nanostructures, High energy electron irradiation, Nanostructured materials, Radiation damage, Surfaces, Ultra hydrophilic surfaces}, issn = {0167-577X}, doi = {10.1016/j.matlet.2011.02.053}, author = {Dhumale, Vinayak A. and Gangwar, Rajesh K. and Shah, Preeti V. and Bhoraskar, Vasant N. and Mulla, Imtiaz S. and Sharma, Rishi B.} } @article { ISI:000288386700006, title = {Synthesis of glycopolypeptides by the ring opening polymerization of O-glycosylated-alpha-amino acid N-carboxyanhydride (NCA)}, journal = {Polymer Chemistry}, volume = {2}, number = {4}, year = {2011}, month = {FEB}, pages = {805-811}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The novel synthesis of O-glycosylated lysine-NCA from a stable glycosyl donor and a commercially available protected amino acid in very high yield is reported. These O-glycosylated lysine-NCA monomers underwent ring opening polymerization using simple primary amine initiators to form well defined, high molecular weight homoglycopolypeptides and diblock co-glycopolypeptides. The synthesis of azide labelled end functionalized glycopolypeptides and amphiphilic diblock copolypeptides is also reported. This methodology represents an easy and practical route to the synthesis of O-glycosylated polypeptides with 100\% glycosylation.

}, issn = {1759-9954}, doi = {10.1039/c0py00412j}, author = {Pati, Debasis and Shaikh, Ashif Y. and Hotha, Srinivas and Sen Gupta, Sayam} } @article {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 {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:000286789100007, title = {Target cum flexibility: an alkyne [2+2+2]-cyclotrimerization strategy for synthesis of trinem library}, journal = {Tetrahedron Letters}, volume = {52}, number = {1}, year = {2011}, month = {JAN}, pages = {38-41}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A rapid access to the central 4,5,6-tricyclic core of 4,5,6-trinems has been achieved by employing the alkyne [2+2+2]-cyclotrimerization as the key and final reaction in the synthesis. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.10.123}, author = {Ramana, C. V. and Dushing, Mangesh P. and Mohapatra, Sradhanjali and Mallik, Rosy and Gonnade, Rajesh G.} } @article { ISI:000294593400012, title = {Thermal epimerization of inositol 1,3-benzylidene acetals in the molten state}, journal = {Tetrahedron}, volume = {67}, number = {38}, year = {2011}, month = {SEP}, pages = {7280-7288}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

1,3-O-Benzylidene-2,4,5,6-tetra-O-substituted-myo-inositol derivatives obtained by the DIBAL-H reduction of the corresponding myo-inositol 1,3,5-orthobenzoate derivatives undergo epimerization at the acetal carbon on heating, in the molten state, just above their melting point. The same epimerization reaction does not proceed either in the crystalline state or in solution. DFT calculations suggest that the epimeric acetal obtained by this thermal process is relatively more stable than the starting acetal. Either of these acetals could not be obtained by the reaction of the corresponding inositol derived diol with benzaldehyde. These observations constitute a novel reaction solely in the molten state, which are rarely encountered in the literature. X-ray crystal structures of the epimeric acetals as well as their radical deoxygenation reaction are also reported. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {cyclitols, Deoxygenation, Epimerization, Melt, Xanthate}, issn = {0040-4020}, doi = {10.1016/j.tet.2011.07.044}, author = {Gurale, Bharat P. and Krishnaswamy, Shobhana and Vanka, Kumar and Shashidhar, Mysore S.} } @article {42577, title = {To make polymer: quantum dot hybrid solar cells NIR-active by increasing diameter of PbS nanoparticles}, journal = {Solar Energy Materials and Solar Cells}, volume = {95}, year = {2011}, month = {OCT}, pages = {651{\textendash}656}, abstract = {

We fabricate NIR-active solar cells based on PbS quantum dots and a conventional conjugated polymer. These devices act as solar cells under exclusively NIR wavelengths above 650 nm. Here PbS nanoparticles absorb photons in the NIR range that in turn generate excitons. We show that with an assistance from a strong electron-acceptor (TiO2), these excitons can be dissociated to electrons and holes to yield a photocurrent in the external circuit. We then aim to extend the spectral window of the solar cells to higher wavelength region by increasing the diameter of PbS nanoparticles to make the cells further NIR-active. We observe that the short-circuit current (JSC) shows a peak when the diameter of PbS nanoparticles increases. Here, the spectral window can be extended till conduction band-edge of PbS quantum dots falls below that of TiO2 nanostructures cutting off the electron-transfer pathway. The NIR-active photovoltaic solar cells yield a short-circuit current (JSC) of 1.0 mA/cm2, open-circuit voltage (VOC) of 0.42 V, and power conversion efficiency (η) of 0.16\% and remain operative till 1200 nm.

}, doi = {10.1016/j.solmat.2010.09.034}, author = {Guchhait, Asim and Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000286868600075, title = {Toward an understanding of the molecular level properties of ziegler-natta catalyst support with and without the internal electron donor}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {5}, year = {2011}, month = {FEB}, pages = {1952-1960}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two Ziegler-Natta catalysts supported on molecular adducts, namely, MgCl2 center dot 6EtOH (ME) and MgCl2 center dot 5EtOH center dot EtOOCPh (Est-ME), have been prepared. A systematic effort has been made to unravel the molecular level structure property relationships of the catalysts and adducts. Ethylbenzoate is an internal electron donor, and its in situ formation through EtOH+PhCOCl coupling is successfully achieved. The above adduct has been treated with TiCl4, and the resultant catalyst (Ti/Est-ME) is evaluated for ethylene polymerization activity. Rand C-13 CP/MAS NMR of Est-ME (Ti/Est-ME) show carbonyl features at 1730 (1680) cm(-1) and 169 (170) delta, respectively, providing direct support for the presence of ester as an integral part. In spite of low surface area, Ti/Est-ME gives higher yield for ethylene polymerization than the one derived from ME. The results indicate that electronic environment is more important than surface area or any other single factor in determining the polymerization activity.

}, issn = {1932-7447}, doi = {10.1021/jp1078289}, author = {Thushara, K. S. and Gnanakumar, Edwin S. and Mathew, Renny and Jha, Ratnesh Kumar and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Sarma, Krishna and Padmanabhan, Sudhakar and Bhaduri, Sumit and Gopinath, Chinnakonda S.} } @article { ISI:000293066000011, title = {Transport of carbonate ions through supported liquid membrane by using Alamine 336 and trioctylphosphine oxide as carriers}, journal = {Green Chemistry Letters and Reviews}, volume = {4}, number = {2}, year = {2011}, month = {MAR}, pages = {159-169}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Transport studies were carried out for carbonate ions through supported liquid membrane (SLMs) by sing Alamine 336 and trioctylphosphine oxide (TOPO) as carriers. Experimental variables were investigated, such as concentration of carbonate ion (10(-5) to 4 x 10(-2) M), carriers (10(-5) to 10(-1) M), and alkali (0.01-0.5); and stirring speed (50-50 rpm) of bulk solutions. The use of combined carriers Alamine 336 and TOPO shows a synergic transport of carbonate ions. The stability of the SLM system in relation to the transport of carbonate ions has been studied. The enrichment of carbonate ions (10(-6) to 4 x 10(-2) M) from the dilute solution was explored. The different combinations of amines with TOPO show synergic permeability of the carbonate ions through SLM system.

}, keywords = {Alamine 336, carbonate ion, supported liquid membrane, synergic effect, trioctyl phosphine oxide (TOPO)}, issn = {1751-8253}, doi = {10.1080/17518253.2010.528046}, author = {Gaikwad, Abaji G.} } @article { ISI:000299239000008, title = {Transport of indium, gallium and thallium metal ions through chromatographic fiber supported solid membrane in acetylacetone containing mixed solvents}, journal = {Chinese Journal of Chemical Engineering}, volume = {19}, number = {6}, year = {2011}, month = {DEC}, pages = {955-963}, publisher = {CHEMICAL INDUSTRY PRESS}, address = {NO. 3 HUIXINLI CHAOYANGQU, BEIJING 100029, PEOPLES R CHINA}, abstract = {

The transport of metal ions of indium, gallium and thallium from source solution to receiving phase through the chromatographic fiber supported solid membrane in the acetylacetone (HAA) containing mixed solvent system has been explored. The fibers supported solid membranes were prepared with chemical synthesis from cellulose fibers and citric acid with the carboxylic acid ion exchange groups introduced. The experimental variables, such as concentration of metal ions (10(-2) to 10(-4) mol.L(-1)) in the source solution, mixed solvent composition [for example, acetylacetone, (2,4-pentanedione), (HAA) 20\% (by volume), 1,4-dioxane 10\% to 60\% and HCl 0.25 to 2 mol.L(-1)] in the receiving phase and stirring speed (50-130 r.min(-1)) of the bulk source and receiving phase, were explored. The efficiency of mixed solvents for the transport of metal ions from the source to receiving phase through the fiber supported solid membrane was evaluated. The combined ion exchange solvent extraction (CIESE) was observed effective for the selective transport of thallium, indium and gallium metal ions through fiber supported solid membrane in mixed solvents. The oxonium salt formation in the receiving phase enhances thallium, indium and gallium metal ion transport through solid membrane phase. The selective transport of thallium metal ions from source phase was observed from indium and gallium metal ions in the presence of hydrochloric acid in organic solvents in receiving phase. The separation of thallium metal ions from the binary mixtures of Be(II), Ti(IV), Al(III), Ca(II), Mg(II), K (I), La(III) and Y(III) was carried out in the mixed solvent system using cellulose fiber supported solid membrane.

}, keywords = {acetylacetone, extraction, fiber supported solid membrane, metal ions transfer, stripping}, issn = {1004-9541}, author = {Gaikwad, Abaji G.} } @article { ISI:000300274300002, title = {Transport of metal ions through cellulose fiber supported solid membrane into tributyl phosphate containing mixed solvents}, journal = {Chemical and Biochemical Engineering Quarterly}, volume = {25}, number = {4}, year = {2011}, month = {DEC}, pages = {425-431}, publisher = {CROATIAN SOC CHEMICAL ENGINEERING TECHNOLOGY}, address = {BERISLAVICEVA 6, PO BOX 123, HR-10000 ZAGREB, CROATIA}, abstract = {

A novel cation exchange fiber supported solid membrane was developed for transport of cobalt, manganese and nickel metal ions. Fiber supported solid membrane was prepared by chemically modifying the cellulose fibers with citric acid. In the fiber supported solid membrane, the diffusion by capillary action by keeping the liquid phase in the porous solid fiber and ion exchange mechanism were used for the effective transport of metal ions. The experimental variables examined were concentration of metal ions (10(-2) to 10(-4) mol L-1) in the source solution, mixed solvent composition (phi = 20 \% TBP, acetone or tetrahydrofuran or 1,4-dioxane or methanol or ethanol or 2-propanol 10 to 60 \% and HCl (1 to 2 mol L-1) in the receiving phase and stirring speed (40-120 rpm) of the bulk source and receiving phase. The enrichment of concentration of cobalt, manganese and nickel metal ions was observed from the dilute solutions.

}, keywords = {binary of mixtures of metal ions, cobalt, extraction, fiber supported solid membrane, ion exchange, manganese and nickel metal ions, stripping}, issn = {0352-9568}, author = {Gaikwad, Abaji G.} } @article { ISI:000287903100004, title = {Transport of metal ions through fiber supported solid membranes in mixed solvents}, journal = {Fibers and Polymers}, volume = {12}, number = {1}, year = {2011}, month = {FEB}, pages = {21-28}, publisher = {KOREAN FIBER SOC}, address = {KOREA SCIENCE TECHNOLOGY CTR \#501 635-4 YEOGSAM-DONG, KANGNAM-GU, SEOUL 135-703, SOUTH KOREA}, abstract = {

The transport of metal ions has been explored of bismuth, cadmium and lead from source solution to receiving phase through the fiber supported solid membrane system. The fibers supported solid membranes were prepared by chemically modification of cellulose fibers with the introducing the ion exchanging groups. The experimental variables explored were concentration of metal ions in the source solution, mixed solvent composition in the receiving phase and stirring speed of the bulk source solution and receiving phase. The efficiency has been evaluated for the transport of metal ions from the source to receiving phase through the fiber supported solid membrane. The pre-concentration was investigated of metal ions from the dilute solutions. The fiber supported solid membrane with two-channel systems had been investigated for the transport of metal ions from the source to receiving phase. The capillary action phenomenon helps to effectively transport the metal ions through the fiber supported solid membrane.

}, keywords = {binary of mixtures of metal ions, Bismuth, Cadmium and lead metal ions, extraction, fiber supported solid membrane, ion exchange, stripping}, issn = {1229-9197}, doi = {10.1007/s12221-011-0021-8}, author = {Gaikwad, Abaji G.} } @article {42522, title = {Urea/thiourea derivatives and Zn(II)-DPA complex as receptors for anionic recognition-a brief account}, journal = {Journal of Chemical Sciences}, volume = {123}, year = {2011}, month = {OCT}, pages = {175{\textendash}186}, abstract = {

This review covers few examples of anion complexation chemistry, with a special focus on urea/thiourea-based receptors and Zn(II)-dipicolyl amine-based receptors. This article specially focuses on structural aspects of the receptors and the anions for obtaining the desire specificity along with an efficient receptor{\textendash}anion interaction. Two types of receptors have been described in this brief account; first one being the strong hydrogen bond donor urea/thiourea derivatives, which binds the anionic analytes through hydrogen bonded interactions; while, the second type of receptors are coordination complexes, where the coordination of the anion to the metal centre. In both the cases the anion binding modulate the energy gap between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) and thereby the spectroscopic response. Appropriate choice of the signalling unit may allow probing the anion binding phenomena through visual detection.

}, doi = {10.1007/s12039-011-0151-y}, author = {Das, Priyadip and Mahato, Prasenjit and Ghosh, Amrita and Mandal, Amal Kumar and Banerjee, Tanmay and Saha, Sukdeb and Das, Amitava} } @article {43239, title = {What drives the redox properties of model green fluorescence protein chromophores?}, journal = {Journal of Physical Chemistry Letters}, volume = {2}, year = {2011}, month = {SEP}, abstract = {We report the first experimental determination of the oxidation potentials E-ox(0). (relative to the standard hydrogen electrode, SHE) of model green fluorescent protein (GFP) chromophores. Para-, meta, and ortho-hydroxy (4-hydroxybenzylidene-2,3-dimethylimidazolinone, HBDI) and methoxy (MeOBDI) derivatives were studied. E-ox(0) of the three isomers in acetonitrile are -1.31, -1.52, and -1.39 V, respectively. Electronic structure calculations reproduce the observed differences between the isomers and reveal that E-ox(0) follows the ionization energies (IEs), that is, p-MeOBDI has the lowest IE (6.96 eV in the gas phase) due to resonance stabilization of its cation, whereas the resonance is detuned in m-MeOBDL resulting in more-negative E-ox(0). The observed meta and ortho effects in E-ox(0) are similar to the trends in pK(a). The effect of increased solvent polarity on absolute.E-ox(0) (and especially on para-meta-ortho differences) was found to be small. The redox properties of GFP chromophores are driven by their structure and can be correlated with IEs, which can be exploited in predicting the properties of other fluorescent protein chromophores.}, doi = {10.1021/jz2011397}, author = {Solntsev, Kyril M. and Ghosh, Debashree and Amador, Adrian and Josowicz, Mira and Krylov, Anna I.} } @article {42528, title = {ZnII-2,2?:6?,2?-terpyridine-based complex as fluorescent chemosensor for PPi, AMP and ADP}, journal = {Europian Journal of Inorganic Chemistry}, year = {2011}, month = {JUL}, pages = {3050{\textendash}3058}, abstract = {

A new ZnII{\textendash}2,2':6',2"-terpyridine complex, derivatized with a coumarin moiety (L1Zn), acts as a fluorescent chemosensor for different biologically important phosphates like PPi, AMP and ADP in mixed aqueous media. Depending on the proportion of the aqueous fraction present in the solvent mixture, L1Zn shows a preference for different phosphate moieties at physiological pH. In an aqueous acetonitrile (2:3, v/v) medium this reagent shows a preference for AMP as compared to ADP, ATP and PPi. The binding affinities of L1Zn with different phosphate ions and associated shifts in the electronic spectra were rationalized by DFT calculations. Such an example of a receptor that is selective for AMP under physiological conditions is rare in the literature.

}, doi = {10.1002/ejic.201100125}, author = {Das, Priyadip and Ghosh, Amrita and Kesharwani, Manoj K. and Ramu, Vadde and Ganguly, Bishwajit and Das, Amitava} } @article {42525, title = {Zn(II)-cyclam based chromogenic sensors for recognition of atp in aqueous solution under physiological conditions and their application as viable staining agents for microorganism}, journal = {Inorganic Chemistry}, volume = {50}, year = {2011}, month = {MAR}, pages = {4162{\textendash}4170}, abstract = {

Two chromogenic complexes, L.Zn (where L is (E)-4-((4-(1,4,8,11-tetraazacyclotetradecan-1-ylsulfonyl)phenyl)diazenyl)-N,N-dimethylaniline) and its [2]pseudorotaxane form (α-CD.L.Zn), were found to bind preferentially to adenosine triphosphate (ATP), among all other common anions and biologically important phosphate (AMP, ADP, pyrophosphate, and phosphate) ions in aqueous HEPES buffer medium of pH 7.2. Studies with live cell cultures of prokaryotic microbes revealed that binding of these two reagents to intercellular ATP, produced in situ, could be used in delineating the Gram-positive and the Gram-negative bacteria. More importantly, these dyes were found to be nontoxic to living microbes (eukaryotes and prokaryotes) and could be used for studying the cell growth dynamics. Binding to these two viable staining agents to intercellular ATP was also confirmed by spectroscopic studies on cell growth in the presence of different respiratory inhibitors that influence the intercellular ATP generation.

}, doi = {10.1021/ic200223g}, author = {Mahato, Prasenjit and Ghosh, Amrita and Mishra, Sanjiv K. and Shrivastav, Anupama and Mishra, Sandhya and Das, Amitava} } @article { ISI:000311966300017, title = {1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {68}, number = {12}, year = {2012}, month = {DEC}, pages = {O485-U254}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

In the title compound, C21H18N2OS2, a strong intramolecular N-H center dot center dot center dot O hydrogen bond [N center dot center dot center dot O = 2.642 (3) angstrom] between the amide N atom and the benzoyl O atom forms an almost planar six-membered ring in the central part of the molecule. In the crystal, molecules are packed through weak N-H center dot center dot center dot S interactions. Intra- and intermolecular hydrogen bonds and van der Waals interactions are the stabilizing forces for the crystal structure.

}, issn = {0108-2701}, doi = {10.1107/S0108270112045167}, author = {Bhattacharjee, Tirtha and Gogoi, Prasanta and Puranik, Vedavati G. and Gawade, Rupesh L. and Barman, Pranjit} } @article { ISI:000313235300008, title = {4(R/S)-Amino/guanidino-substituted proline peptides: design, synthesis and DNA transfection properties}, journal = {Chimia}, volume = {66}, number = {12, 1}, year = {2012}, month = {DEC}, pages = {936-940}, publisher = {SWISS CHEMICAL SOC}, address = {SCHWARZTORSTRASSE 9, CH-3007 BERN, SWITZERLAND}, abstract = {

Collagen is a major structural protein found in the connective tissues of higher organisms and mammals and its biomechanical properties are related to the high thermal stability of its triple helical structure. The primary structure of collagen is composed of the repeating tripeptide motif of Pro-Hyp-Gly, where Hyp is 4R-hydroxy proline. Cationic collagen mimetics consisting of [Pro(X)-Pro(Y)-Gly](6) where Pro(X) and Pro(Y) are 4(R/S)-amino/guanidine proline have been synthesized and shown to form triplexes more stable than the unmodified collagen peptide [Pro-Hyp-Gly](6). The origin of hyperstability is due to conformational pre-organization of proline pucker arising from the electronegativity of the cationic group. These cationic collagen peptides are shown to be effective cell penetrating and plasmid DNA transfecting agents. The results have potential for design of new collagen mimetics for biomaterial applications and efficient cell penetrating agents for drug delivery applications.

}, keywords = {4-Aminoproline peptides, 4-Guanidino proline peptides, Cationic collagen mimetics, Cell penetrating peptides}, issn = {0009-4293}, doi = {10.2533/chimia.2012.936}, author = {Umashankara, M. and Nanda, Manaswini and Sonar, Mahesh and Ganesh, Krishna N.} } @article { ISI:000302982000044, title = {4(R/S)-Guanidinylprolyl collagen peptides: on-resin synthesis, complexation with plasmid DNA, and the role of peptides in enhancement of transfection}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {8}, year = {2012}, month = {APR}, pages = {4131-4135}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Chimeric collagen peptides containing cationic 4(R/S)-guanidinylproline are synthesized by in situ amidinylation of 4(R/S)-aminoproline residues. These peptides uniquely enhance the transfection efficiency of GFP-encoded plasmid DNA (pRmHa3-GFP) into cells through efficient DNA condensation resulting from nonspecific electrostatic interactions of cationic guanidino groups and localize in subcytoplasmic organelles.

}, issn = {0022-3263}, doi = {10.1021/jo300070p}, author = {Nanda, Manaswini and Ganesh, Krishna N.} } @article {42507, title = {Alternative approach: a highly selective dual responding fluoride sensor having active methylene group as binding site}, journal = {Org Biomol Chem.}, volume = {10}, year = {2012}, month = {JAN}, pages = {2263-2271}, abstract = {

A newly designed phosphonium derivative (L) having active methylene functionality, shows unusual preference towards F- over all other anions. The binding process through C{\textendash}H...F- hydrogen bond formation was probed by monitoring the changes in either electronic or luminescence spectra. Changes in both cases are significant enough to allow visual detection. The loss of molecular flexibility of L on forming L{\textperiodcentered}F- effectively interrupts the non-radiative deactivation pathway and accounts for the observed switch on fluorescence response. The results of the time-resolved emission studies for L and L{\textperiodcentered}F- using a time-correlated single photon counting technique further corroborate this presumption. The excellent preference of L towards F- is attributed to an efficient hydrogen bonding interaction between the strongly polarized methylene protons and F-, which delineates the subtle difference in the affinity among other competing anionic analytes like CN-, H2PO4-, CH3CO2-, etc. The relative affinities of various anions and the preferential binding of F- to reagent L are also rationalized using computational studies.

}, doi = {10.1039/C2OB06815J}, author = {Das, Priyadip and Kesharwani, Manoj K. and Mandal, Amal K. and Suresh, Eringathodi and Ganguly, Bishwajit and Das, Amitava} } @article {42779, title = {Amino functionalized oligo polyimides with enhanced storage stability}, number = {EP 11817412 A 20111228}, year = {2012}, month = {JUL}, abstract = {

The invention relates to an improved process for the preparation of amino functionalized oligomeric monomeric reactant type polyimides having higher stability. More particularly it relates to a process for the preparation of soluble imide prepolymers, used as matrix resins that can be rapidly cured with multi-functional moieties such as diepoxy, dicarboxyl, anhydride, diisocyanates to form crosslinked structures having enhanced thermal stability and mechanical strength.

}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Mohan, Srinivasulu Reddy Krishna and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Rajan, Chelanattukizhakkemadath Raman and Tayal, Rajiv Kumar and Shadbar, Qureshi Mohammed and Chavan, Nayaku and Deokar, Sarika Babasaheb and Mulani, Khudbudin Baban and Ghorpade, Ravindra V. and Bhongale, Sunil Sitaram and Nalawade, Archana Chetan and Sontakke, Kalpana Vishwanathrao and Bhosle, Sonali Madhavrao and Mule, Smita Atmaram and Dhoble, Deepa Arun and John, Aruldoss and Shaikh, Wasif Abdul Lateef and Harikrishna, Reghunathan and Punitharasu, Vellimala and Momin, Mohasin Shamshuddin} } @article { ISI:000306049900024, title = {Aminomethylene peptide nucleic acid (am-PNA): synthesis, regio-/stereospecific DNA binding, and differential cell uptake of (alpha/gamma,R/S)am-PNA analogues}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {13}, year = {2012}, month = {JUL}, pages = {5696-5704}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Inherently chiral, cationic am-PNAs having pendant aminomethylene groups at alpha(R/S) or gamma(S) sites on PNA backbone have been synthesized. The modified PNAs are shown to stabilize duplexes with complementary cDNA in a regio- and stereo-preferred manner with gamma(S)-am PNA superior to alpha(R/S)-am PNAs and alpha(R)-am PNA better than the alpha(S) isomer. The enhanced stabilization of am-PNA:DNA duplexes is accompanied by a greater discrimination of mismatched bases. This seems to be a combined result of both electrostatic interactions and conformational preorganization of backbone favoring the cDNA binding. The am-PNAs are demonstrated to effectively traverse the cell membrane, localize in the nucleus of He La cells, and exhibit low toxicity to cells.

}, issn = {0022-3263}, doi = {10.1021/jo300860f}, author = {Mitra, Roopa and Ganesh, Krishna N.} } @article { ISI:000304584000001, title = {Amylase gene expression patterns in Helicoverpa armigera upon feeding on a range of host plants}, journal = {Gene}, volume = {501}, number = {1}, year = {2012}, month = {JUN}, pages = {1-7}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Expression of two amylase genes (HaAmy1 and HaAmy2) was studied in Helicoverpa armigera (Hubner; Lepidoptera: Noctuidae) feeding on different host plants and during larval development. Alignment of HaAmy1 and HaAmy2 with other insect amylases shows similarities with known Lepidopteran amylase transcripts. H. armigera amylase gene expression is influenced by the availability of reducing sugars, sucrose and starch content of host plants and further correlates to the pool of reducing sugars in the gut and haemolymph of larvae. HaAmy1 and HaAmy2 during larval development on two host plants viz., maize (cereal) and marigold (ornamental) showed their relative difference. Results support the view that when host plants differ in their macronutrients, relationships of enzymes and substrates are flexible. The present work highlights the distribution of HaAmy1 and HaAmy2 (i) during various stages of insect development (second, fourth and sixth instar, pupa, adult and egg), (ii) in various tissues viz., head, haemolymph, fat body, integument and whole larval body of H. armigera feeding on artificial diet and (iii) in three gut regions of larvae fed on various diets. Complexity in expression of amylase genes suggests existence of mechanisms involved to detect nutrient balance required for avoiding fitness costs and focus their importance in insect nutrition. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Diets, Digestive amylase, Gene expression, Helicoverpa armigera, Nutrition}, issn = {0378-1119}, doi = {10.1016/j.gene.2012.04.010}, author = {Kotkar, Hemlata M. and Bhide, Amey J. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000302437100008, title = {Analysis of AGE modified proteins and RAGE expression in HER2/neu negative invasive ductal carcinoma}, journal = {Biochemical and Biophysical Research Communications}, volume = {419}, number = {3}, year = {2012}, month = {MAR}, pages = {490-494}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Cancer is associated with increased glycolysis and carbonyl stress. In view of this, AGE modified proteins were identified from clinical breast cancer tissue using 2DE-immunoblot and mass-spectrometry. These proteins were identified to be serotransferrin, fibrinogen gamma chain, glycerol-3-phosphate dehydrogenase, lactate dehydrogenase, annexin II, prohibitin and peroxiredoxin 6, which have established role in cancer. Further, RAGE expression and its downstream signaling proteins NADPH oxidase and NF-kB were studied. Role of these AGE modified proteins and RAGE signaling in breast cancer is discussed. (C) 2012 Elsevier Inc. All rights reserved.

}, keywords = {advanced glycation end products, Breast cancer, RAGE}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2012.02.039}, author = {Korwar, Arvind M. and Bhonsle, Hemangi S. and Chougale, Ashok D. and Kote, Sachin S. and Gawai, Kachru R. and Ghole, Vikram S. and Koppikar, Chaitanyananda B. and Kulkarni, Mahesh J.} } @article { ISI:000300048500009, title = {Analysis of miRNA regulation suggests an explanation for {\textquoteleft}unexpected{\textquoteright} increase in target protein levels}, journal = {Molecular Biosystems}, volume = {8}, number = {3}, year = {2012}, month = {DEC}, pages = {760-765}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

MicroRNA (miRNA) has been mostly associated with decrease in target protein expression levels. Recently, {\textquoteleft}unexpected{\textquoteright} observations of increase in target protein expression attributed to microRNA regulation have been reported. We formulate a comprehensive model for regulation by miRNA that includes both reversible mRNA-miRNA binding and selective return of RNA. We use this mathematical model incorporating multiple individual steps in the regulation process to study the simultaneous effects of these steps on the target protein level. We show that four dimensionless numbers obtained from 12 rate constants are sufficient to define the relative change in steady state target protein levels. We quantify the range of these numbers for which such pleiotropic increase in protein levels is possible, and interpret the experimental findings in the framework of our model such that the results are no longer unexpected. Finally, we show through stochastic simulation that the nature of the target protein distribution remains unchanged and the relative steady state noise levels are also completely defined by the values of these dimensionless numbers, irrespective of the individual reaction rate constants.

}, issn = {1742-206X}, doi = {10.1039/c1mb05368j}, author = {Gokhale, Sucheta A. and Gadgil, Chetan J.} } @article { ISI:000305764600011, title = {Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {28}, year = {2012}, month = {MAY}, pages = {5385-5394}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

First synthesis of diaportheone B, an antituberculosis agent isolated from endophytic fungus Diaporthe sp. P133 is reported using two complementary routes, a one step and a three-step sequence. The absolute configuration of diaportheone B was determined by using X-ray crystal structure analysis of its dibromo derivative. In addition, we have prepared several close analogues of diaportheone B and determined their anti-TB potential using Alamar-blue assay (H(37)Rv).

}, issn = {1477-0520}, doi = {10.1039/c2ob25831e}, author = {Swaroop, Pandrangi Siva and Raut, Gajanan N. and Gonnade, Rajesh G. and Verma, Priyanka and Gokhale, Rajesh S. and Reddy, D. Srinivasa} } @article { ISI:000314145100008, title = {Behavior of the transport and separation of lanthanum, yttrium and lutetium metal ions through a celluose fiber supported solid membrane}, journal = {Macedonian Journal of Chemistry and Chemical Engineering}, volume = {31}, number = {2}, year = {2012}, month = {Jan}, pages = {255-269}, publisher = {SOC CHEMISTS TECHNOLOGISTS MADECONIA}, type = {Article}, address = {STS CYRIL \& METHODIUS UNIV, FAC TECHNOL \& METALLURGY, PO BOX 560, RUGER BOSKOVIC 16, SKOPJE, MK-1001, MACEDONIA}, abstract = {

A newly designed membrane cell was used to study the behavior of the transport and separation of lanthanum, yttrium and lutetium metal ions using a cellulose fiber supported solid membrane. The cellulose fiber membrane was prepared by the chemical modification of cellulose fiber using an esterification reaction with citric acid. Different experimental variables were investigated, such as time, membrane size, stirring of the source and receiving phases and the pH of the source phase. The use of different stripping agents in the receiving phase was explored, including nitric acid, hydrochloric acid, sodium nitrate, ammonium thiocyanate, D(2)EHPA, TBP, Aliquat-336, tartaric acid, EDTA and organic solvents. Pre-concentration of lanthanum, yttrium and lutetium metal ions from dilute solutions was carried out.

}, keywords = {binary mixture, cellulose fiber membrane, Citric acid, complexing reagent, Lanthanum, lutetium, metal ions, Separation, transport studies, yttrium}, issn = {1857-5552}, author = {Gaikwad, Abaji G.} } @article {43072, title = {Bioanalytical method development and validation of levalbuterol a β2-adrenergic agonist by RP-HPLC method}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {4}, year = {2012}, month = {MAR}, pages = {249-253}, author = {Ghemud, A. S. and Santhakumari, B. and Pharne, A. B. and Jadhav, M. M. and Jain, K. S. and Kulkarni, Mahesh J.} } @article {43069, title = {Bioanalytical method development and validation of vildagliptin a novel dipeptidyl peptidase IV inhibitor by RP-HPLC method}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {4}, year = {2012}, month = {JUN}, pages = {119-123}, abstract = {

A simple, selective, rapid, precise and economical Reverse-Phase HPLC method has been developed and validated for quantitative determination of vildagliptin in plasma. Vildagliptin is a potent dipeptidyl peptidase IV inhibitor used for treatment of diabetes. Tolbutamide is used as an internal standard. The method was carried out with UV Spectrophotometric detection using a Perkin Elmer Series 200 HPLC system equipped with XBridge Shield C18 column (3.5 μm, 4.6x150mm) and a guard column of the same type, at a flow rate of 1.0mL/min. Detection was carried out at 210 nm. The mobile phase consisted of 50mM ammonium bicarbonate (pH 7.8) (solvent A) and acetonitrile (solvent B). The retention times of vildagliptin and tolbutamide were 11.2 min and 13.4 min respectively. The method was developed and tested for linearity range of 10μg/ml to 120μg/ml. The developed method was validated in terms of selectivity, accuracy, precision, linearity, and stability study. The proposed method uses less biological material and the method is MS compatible also. Method can be applicable for pharmacokinetic studies using HPLC or LC-MS.

}, author = {Pharne, A. B. and Santhakumari, B. and Ghemud, A. S. and Jain, H. K. and Kulkarni, Mahesh J.} } @article { ISI:000307134700044, title = {Bistable dynamic coordination polymer showing reversible structural and functional transformations}, journal = {Inorganic Chemistry}, volume = {51}, number = {15}, year = {2012}, month = {AUG}, pages = {8317-8321}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A bistable dynamic coordination polymer [Ni(pca)(bdc)(0.5)(H2O)(2)] having a two-dimensional (2D) zigzag sheet structure is synthesized solvothermally. Topological analysis revealed that the frameworks have an hcb type of uninodal net. The compound exhibits guest specific reversible structural transformations accompanying reversible changes in physical properties driven by inherent flexibility and transformability.

}, issn = {0020-1669}, doi = {10.1021/ic301481p}, author = {Nagarkar, Sanjog S. and Das, Raja and Poddar, Pankaj and Ghosh, Sujit K.} } @article { ISI:000304037200008, title = {Carbohydrate based total synthesis of xestodecalactone B and C: revision of the absolute configuration}, journal = {Current Organic Chemistry}, volume = {16}, number = {9}, year = {2012}, month = {MAY}, pages = {1159-1168}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

A convergent chiral pool approach for the total synthesis of xestodecalactones B and C was demonstrated in which intramolecular acylation reaction constituted the key step. Synthetic and spectroscopic studies reported herein, suggested that the previously assigned structures of xestodecalactone B and C be interchanged.

}, keywords = {Chiral pool, Hydroboration, Intramolecular acylation, Pinnick oxidation, Revision of absolute configuration, Xestodecalactone B and C}, issn = {1385-2728}, author = {Pal, Rita and Rahaman, Hasibur and Gurjar, Mukund K.} } @article { ISI:000301445700014, title = {Carbohydrate-based synthesis of the C13-C22 fragment of amphidinolide X}, journal = {European Journal of Organic Chemistry}, number = {9}, year = {2012}, month = {MAR}, pages = {1753-1758}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A facile carbohydrate-based route was developed for the synthesis of the tetrahydrofuran (C13C22) fragment of amphidinolide X. Starting from L-sorbose, the key reactions followed include the stereoselective synthesis of a quaternary center at C1, BartonMcCombie deoxygenation at C2, Mitsunobu inversion at C3, and chain elongation by a Wittig reaction at C5.

}, keywords = {Cytotoxicity, Macrolides, Mitsunobu inversion, Natural products, Wittig reactions}, issn = {1434-193X}, doi = {10.1002/ejoc.201101605}, author = {Gurjar, Mukund K. and Yellol, Gorakh S. and Mohapatra, Debendra K.} } @article { ISI:000309370500004, title = {Carbon dioxide capture by metal organic frameworks}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1223-1230}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

The design and synthesis of functionalized metal organic framework materials (MOFs) for reversible physisorption of CO2 is discussed. This strategy of CO2 adsorption in MOFs requires less energy for regeneration than materials relying on chemisorption. As a result the MOFs have received considerable attention as sorbent materials for strategic gases such as CO2 and H,. In this review, we have discussed different MOFs and hybrid materials containing MOFs which can adsorb CO2 at room temperature. In order to achieve high adsorption capacity, fast CO2 adsorption-desorption and low energy requirement for regeneration are necessary. Several avenues for increasing the CO2 adsorption capacity of such materials, for instance, introduction of open metal sites and the use of ligand molecules with specific functionalities (like -OH or -NH2) have been described. It has been observed that CO2 loading capacity of MOFs increases with functionalization. Herein, we have discussed how N-containing and fluorinated MOFs are designed to achieve higher CO2 loading than their non-functionalized counterparts. Nanocarbons (e.g. carbon nanotubes, carbon nanofibres, etc.) are porous materials and a blend of these porous materials with porous MOFs or porous carbon derived from MOFs may act as a better adsorbate than even the pure materials. Enhancement of CO2 loading by nanocarbon-MOF hybrid material is also discussed.

}, keywords = {Carbon dioxide adsorbents, Carbon dioxide capture, hybrid materials, Metal organic frameworks, Nanocarbons, Porous nanocarbons}, issn = {0376-4710}, author = {Saha, Subhadeep and Chandra, Suman and Garai, Bikash and Banerjee, Rahul} } @article { ISI:000309370500015, title = {Carbon dioxide reforming of methane over ruthenium substituted strontium titanate perovskite catalysts}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1339-1347}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

Strontium titanate (SrTiO3) doped with varying amounts of ruthenium (7.9, 15.6 and 31 wt\%) have been prepared by the citrate gel synthesis method. Structural and textural characterizations reveal that at lower concentrations, a major part of Ru is incorporated in the lattice of SiTiO3. The content of surface Ru (outside lattice) increases with increasing amounts of the doped Ru. The surface Ru reduced at lower temperatures compared to Ru incorporated into the lattice. The reduction of the lattice substituted Ru occurs only at temperatures above the collapse of the perovskite structure. The catalyst sample with 7.9 wt\% of Ru shows good conversions in the dry reforming of methane with CO2. The conversion of CO2 is in excess compared to methane under the studied reaction conditions. As a result, H-2/CO ratio of the product gases which should have been equivalent to unity is lower than the stoichiometric value. This ratio is particularly low when lower reaction temperatures (873-973 K) were used. Similar was the case when high space velocities were used. Low methane conversion and reverse water gas shift reaction are the causes for the low H-2/CO ratios.

}, keywords = {Carbon dioxide reforming, Catalysts, Citrate gel method, Doped catalysts, Dry reforming, Methane reforming, Perovskites, Reverse water gas shift, Ruthenium doped catalysts, Strontium titanate, Syngas}, issn = {0376-4710}, author = {Gurav, Hanmant R. and Bobade, Richa and Das, Vineetha Lakshmi and Chilukuri, Satyanarayana V.} } @article { ISI:000296558300011, title = {Chemical deposition of CuInSe2 thin films by photoelectrochemical applications}, journal = {Journal of Alloys and Compounds}, volume = {511}, number = {1}, year = {2012}, month = {JAN}, pages = {50-53}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Copper indium diselenide films have been synthesized by chemical bath deposition method. The configuration of fabricated cell is n-CuInSe2|NaOH (1 M) + S (1 M) + Na2S (1 M)|C-(graphite). The photoelectrochemical cell characterization of the films is carried out by studying current-voltage characteristics in dark, capacitance-voltage in dark, barrier height measurements, power output, photoresponse and spectral response. The study shows that CuInSe2 thin films are n-type conductivity. The junction ideality factor is found to be 3.81. The flat band potential is found to be 0.763 V. The barrier height value is found to be 0.232 eV. The study of power output characteristic shows open circuit voltage, short circuit current, fill factor and efficiency are found to be 310 mV, 20 mu A, 42.12\% and 0.82\%, respectively. Photoresponse shows lighted ideality factor which is 2.92. Spectral response shows the maximum current observed at 650 nm. (C) 2011 Published by Elsevier B.V.

}, keywords = {Chemical bath deposition, Flat band potential, Photo response, Power output, Spectral response}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2011.04.084}, author = {Hankare, P. P. and Rathod, K. C. and Chate, P. A. and Garadkar, K. M. and Sathe, D. J. and Mulla, Imtiaz S.} } @article { ISI:000303437600007, title = {Chiral crystals from an achiral molecule: 4,6-di-O-benzyl-1,3-O-benzylidene-2-O-(4-methoxybenzyl)-myo-5-inosose}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {68}, number = {5}, year = {2012}, month = {MAY}, pages = {O183-O187}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The title achiral compound, C35H34O7, crystallizes in the chiral monoclinic space group P21. The molecules are densely packed to form a helical assembly along the crystallographic twofold screw axis via CH...O and CH...p interactions. Interestingly, the unit-translated helical chains are loosely connected via a rather uncommon edge-to-edge PhH...HPh short contact (H...H = 2.33 angstrom).

}, issn = {0108-2701}, doi = {10.1107/S0108270112010001}, author = {Gurale, Bharat P. and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article {43249, title = {Comparative genomics of the apicomplexan parasites toxoplasma gondii and neospora caninum: coccidia differing in host range and transmission strategy}, journal = {Plos Pathogens}, volume = {8}, year = {2012}, month = {MAR}, abstract = {Toxoplasma gondii is a zoonotic protozoan parasite which infects nearly one third of the human population and is found in an extraordinary range of vertebrate hosts. Its epidemiology depends heavily on horizontal transmission, especially between rodents and its definitive host, the cat. Neospora caninum is a recently discovered close relative of Toxoplasma, whose definitive host is the dog. Both species are tissue-dwelling Coccidia and members of the phylum Apicomplexa; they share many common features, but Neospora neither infects humans nor shares the same wide host range as Toxoplasma, rather it shows a striking preference for highly efficient vertical transmission in cattle. These species therefore provide a remarkable opportunity to investigate mechanisms of host restriction, transmission strategies, virulence and zoonotic potential. We sequenced the genome of N. caninum and transcriptomes of the invasive stage of both species, undertaking an extensive comparative genomics and transcriptomics analysis. We estimate that these organisms diverged from their common ancestor around 28 million years ago and find that both genomes and gene expression are remarkably conserved. However, in N. caninum we identified an unexpected expansion of surface antigen gene families and the divergence of secreted virulence factors, including rhoptry kinases. Specifically we show that the rhoptry kinase ROP18 is pseudogenised in N. caninum and that, as a possible consequence, Neospora is unable to phosphorylate host immunity-related GTPases, as Toxoplasma does. This defense strategy is thought to be key to virulence in Toxoplasma. We conclude that the ecological niches occupied by these species are influenced by a relatively small number of gene products which operate at the host-parasite interface and that the dominance of vertical transmission in N. caninum may be associated with the evolution of reduced virulence in this species.}, doi = {10.1371/journal.ppat.1002567}, author = {Reid, Adam James and Vermont, Sarah J. and Cotton, James A. and Harris, David and Hill-Cawthorne, Grant A. and Koenen-Waisman, Stephanie and Latham, Sophia M. and Mourier, Tobias and Norton, Rebecca and Quail, Michael A. and Sanders, Mandy and Shanmugam, Dhanasekaran and Sohal, Amandeep and Wasmuth, James D. and Brunk, Brian and Grigg, Michael E. and Howard, Jonathan C. and Parkinson, John and Roos, David S. and Trees, Alexander J. and Berriman, Matthew and Pain, Arnab and Wastling, Jonathan M.} } @article { ISI:000307128500003, title = {Computational investigation of the role of the iridium dihydrogen pincer complex in the formation of the cyclic pentamer (NH2BH2)(5)}, journal = {Computational and Theoretical Chemistry}, volume = {992}, year = {2012}, month = {JUL}, pages = {18-29}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Computational studies with density functional theory (DFT) and MP2 have been done to investigate the interaction between the iridium dihydrogen pincer complex: (POCOP)IrH2 (where POCOP = eta(3)-1,3(OPt-Bu-2)(2)C6H3) and NH2BH2, the immediate product of ammonia borane (NH3BH3) dehydrogenation. A mechanism has been proposed for an oligomerisation process at the metal centre that involves competition between (i) insertion of an NH2BH2 molecule into the (NH2BH2)(n) chain and (ii) termination of the chain leading to the formation of the cyclic (NH2BH2)(n) oligomer. The calculated Delta G values show that the competition favours insertion over termination for the cases n = 1 to n = 4 but favours termination for n = 5. The computational studies therefore indicate that the cyclic pentamer (NH2BH2)(5) would be formed during NH3BH3 dehydrogenation by the (POCOP)IrH2 catalyst, agreeing with experimental findings. The mechanistic understanding gained has implications for the facile regeneration of ammonia borane. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Ammonia borane, Hydrogen storage, Iridium pincer ligand catalyst, Mechanistic studies, Oligomerisation cycle}, issn = {2210-271X}, doi = {10.1016/j.comptc.2012.04.020}, author = {Ghatak, Kamalika and Vanka, Kumar} } @article {Dutta Chowdhury, title = {Conformational transitions of the catalytic domain of heme-regulated eukaryotic initiation factor 2 alpha kinase, a key translational regulatory molecule}, journal = {Journal of Fluorescence}, volume = {22}, number = {1}, year = {2012}, month = {JAN}, pages = {431-441}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

In mammalian cells, the heme-regulated inhibitor (HRI) plays a critical role in the regulation of protein synthesis at the initiation step through phosphorylation of a-subunit of the eukaryotic initiation factor 2 (eIF2). In this study we have cloned and performed biophysical characterization of the kinase catalytic domain (KD) of rabbit HRI. The KD described here comprises kinase 1, the kinase insertion domain (KI) and kinase 2. We report here the existence of an active and stable monomer of HRI (KD). The HRI (KD) containing three tryptophan residues was examined for its conformational transitions occurring under various denaturing conditions using steady-state and time-resolved tryptophan fluorescence, circular dichroism (CD) and hydrophobic dye binding. The parameter A and phase diagram analysis revealed multi-state unfolding and existence of three stable intermediates during guanidine hydrochloride (Gdn-HCl) induced unfolding of HRI (KD). The protein treated with 6 M Gdn-HCl showed collisional and static mechanism of acrylamide quenching and the constants (K-sv=3.08 M-1 and K-s=5.62 M-1) were resolved using time resolved fluorescence titration. Based on pH, guanidine hydrochloride and temperature mediated transitions, HRI (KD) appears to exemplify a rigid molten globule-like intermediate with compact secondary structure, altered tertiary structure and exposed hydrophobic patches at pH 3.0. The results indicate the inherent structural stability of HRI (KD), a member of the class of stress response proteins.

}, keywords = {Circular dichroism (CD), eIF2 alpha kinase, Heme-regulated inhibitor, Molten globule, Steady-state and time-resolved fluorescence}, issn = {1053-0509}, doi = {10.1007/s10895-011-0976-2}, author = {Sreejith, R. K. and Suresh, C. G. and Bhosale, Siddharth H. and Bhavnani, Varsha and Kumar, Avinash and Gaikwad, Sushama M. and Pal, Jayanta K.} } @article { ISI:000304915100006, title = {Constrained variational approach for energy derivatives in Intermediate hamiltonian fock-space coupled-cluster theory}, journal = {Chemical Physics}, volume = {401}, year = {2012}, month = {JUN}, pages = {45-49}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Fock-space multi-reference coupled cluster theory is an efficient method for electronic structure of nearly degenerate cases. However, it suffers from the intruder state problem for large model space. The intermediate Hamiltonian formulation eliminates intruder state problem and helps in the convergence of equations. In this paper we have implemented intermediate Hamiltonian approach in Fock-space coupled cluster method for the response properties. We test our method for the dipole moments of doublet radicals. We report dipole moments of CN, SF and NS radicals. (C) 2011 Elsevier B. V. All rights reserved.

}, keywords = {Constrained variational approach, Fock-space multi-reference coupled cluster, Intermediate Hamiltonian theory, Response approach}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2011.10.018}, author = {Ghosh, Aryya and Gupta, Jitendra and Pal, Sourav and Vaval, Nayana} } @article { ISI:000299775500022, title = {Controlled release of nutrients to mammalian cells cultured in shake flasks}, journal = {Biotechnology Progress}, volume = {28}, number = {1}, year = {2012}, month = {JAN}, pages = {188-195}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Though cell culture-based protein production processes are rarely carried out under batch mode of operation, cell line and initial process development operations are usually carried out in batch mode due to simplicity of operation in widely used scale down platforms like shake flasks. Nutrient feeding, if performed, is achieved by bolus addition of concentrated feed solution at different intervals, which leads to large transient increases in nutrient concentrations. One negative consequence is increased waste metabolite production. We have developed a hydrogel-based nutrient delivery system for continuous feeding of nutrients in scale down models like shake flasks without the need for manual feed additions or any additional infrastructure. Continuous delivery also enables maintaining nutrient concentrations at low levels, if desired. The authors demonstrate the use of these systems for continuous feeding of glucose and protein hydrolysate to a suspension Chinese Hamster Ovary (CHO) culture in a shake flask. Glucose feeding achieved using the glucose-loaded hydrogel resulted in a 23\% higher integral viable cell density and an 89\% lower lactate concentration at the end of the culture when compared with a bolus-feed of glucose. (c) 2011 American Institute of Chemical Engineers Biotechnol. Prog., 2012

}, issn = {8756-7938}, doi = {10.1002/btpr.729}, author = {Hegde, Swati and Pant, Tejal and Pradhan, Ketaki and Badiger, Manohar V. and Gadgil, Mugdha} } @article { ISI:000303951600008, title = {Controlled synthesis of O-glycopolypeptide polymers and their molecular recognition by lectins}, journal = {Biomacromolecules}, volume = {13}, number = {5}, year = {2012}, month = {MAY}, pages = {1287-1295}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The facile synthesis of high molecular weight water-soluble O-glycopolypeptide polymers by the ring-opening polymerization of their corresponding N-carboxyanhydride (NCA) in very high yield (overall yield \> 70\%) is reported. The per-acetylated-O-glycosylated lysine-NCA monomers, synthesized using stable glycosyl donors and a commercially available protected amino acid in very high yield, was polymerized using commercially available amine initiators. The synthesized water-soluble glycopolypeptides were found to be alpha-helical in aqueous solution. However, we were able to control the secondary conformation of the glycopolypeptides (alpha-helix vs nonhelical structures) by polymerizing raceznic amino acid glyco NCAs. We have also investigated the binding of the glycopolypeptide poly(alpha-manno-O-lys) with the lectin Con-A using precipitation and hemagglutination assays as well as by isothermal titration calorimetry (ITC). The ITC results clearly show that the binding process is enthalpy driven for both alpha-helical and nonhelical structures, with negative entropic contribution. Binding stoichiometry for the glycopolypeptide poly(alpha-manno-O-lys) having a nonhelical structure was slightly higher as compared to the corresponding polypeptide which adopted an alpha-helical structure.

}, issn = {1525-7797}, doi = {10.1021/bm201813s}, author = {Pati, Debasis and Shaikh, Ashif Y. and Das, Soumen and Nareddy, Pavan Kumar and Swamy, Musti J. and Hotha, Srinivas and Sen Gupta, Sayam} } @article { ISI:000307188100016, title = {Conversion of cellulose to polyols over promoted nickel catalysts}, journal = {Catalysis Science \& Technology}, volume = {2}, number = {9}, year = {2012}, month = {MAY}, pages = {1852-1858}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Sorbitol is one of the key platform chemicals that can be applied to several industrial applications, including bio-fuels and hydrogen production. Presently there is no commercial heterogeneous catalytic process to produce sorbitol from cellulose due to the low yield and high cost of noble metals required for the conversion. In this paper we describe an aqueous phase hydrolysis-hydrogenation process to convert cellulose to sorbitol using a cheap Ni based catalyst. Monometallic Ni catalysts showed little activity for the reaction, but with the addition of a small amount of Pt to the Ni catalyst (Ni : Pt = 22 : 1 atom ratio), the activity was greatly enhanced. Results showed that the bimetallic Ni-Pt catalysts supported on mesoporous alumina gave a hexitol (sorbitol + mannitol) yield of 32.4\% compared to only 5\% with a Ni catalyst. Moreover, Ni-Pt supported on a mesoporous beta zeolite support provided even higher yield of 36.6\%. These results were obtained after only 6 hours of run at 200 degrees C and 50 bar H-2 pressure (at room temperature). The presence of a small amount of Pt promotes the protonation of water and hydrogen molecules, which spill over to Ni sites creating in situ acid sites to catalyse hydrolysis of cellulose.

}, issn = {2044-4753}, doi = {10.1039/c2cy20119d}, author = {Shrotri, Abhijit and Tanksale, Akshat and Beltramini, Jorge Norberto and Gurav, Hanmant and Chilukuri, Satyanarayana V.} } @article { ISI:000321004400040, title = {Crystal structure of (2S, 4R)-2-benzyl 1-tert-butyl 4-(tosyloxy)pyrrolidine-1,2-dicarboxylate, C24H29NO7S}, journal = {Zeitschrift Fur Kristallographie-New Crystal Structures}, volume = {227}, number = {3}, year = {2012}, month = {SEP}, pages = {361-362}, publisher = {OLDENBOURG VERLAG}, address = {LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY}, abstract = {

{C24H29NO7S, triclinic, P1 (no. 1)

}, issn = {1433-7266}, doi = {10.1524/ncrs.2012.0173}, author = {Ghosh, Munmun and Mallick, Arijit and Diaz, David Diaz} } @article { ISI:000309370500013, title = {Cu-II-exchanged montmorillonite K10 clay-catalyzed direct carboxylation of terminal alkynes with carbon dioxide}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1325-1329}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

A new, simple and straight-forward protocol for direct carboxylation of terminal alkynes has been developed using Cu-II-montmorillonite K10 clay as a heterogeneous catalyst and CO2 as the C1 carbon feedstock. Also coupling of terminal alkynes with CO2 (1 atm) in the presence of alkyl halides has been achieved under the same reaction conditions, thereby providing access to a variety of functionalized alkyl-2-alkynoates in high yields.

}, keywords = {Alkyl esters, Alkyne C-H activation, Carbon dioxide activation, Carboxylation, Catalysts, Montmorillonite clays}, issn = {0376-4710}, author = {Aher, Ravindra D. and Gade, Madhuri H. and Reddy, R. Santhosh and Sudalai, Arumugam} } @article { ISI:000308970100011, title = {CVD synthesis of highly graphitized single-walled carbon nanotubes using nitrogen-pretreated Fe-Mo/MgO catalyst}, journal = {Chemistry Letters}, volume = {41}, number = {9}, year = {2012}, month = {SEP}, pages = {871-873}, publisher = {CHEMICAL SOC JAPAN}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

Single-walled carbon nanotubes (SWNTs) with highly graphitized structure were synthesized by thermal chemical vapor deposition using an improved nitrogen-pretreated Fe-Mo/MgO catalyst. The effects of nitrogen pretreatment of Fe-Mo/MgO on the structure and properties of SWNTs were studied by TEM, Raman spectroscopy, and TGA. The investigations revealed that the nitrogen pretreatment of the catalyst promoted the growth of SWNTs. It also enhanced the structural features and thermal properties of SWNTs.

}, issn = {0366-7022}, doi = {10.1246/cl.2012.871}, author = {Patil, Gaurav and Sarode, Chetan and Patil, Rahul and Gokhale, Suresh} } @article { ISI:000308285100046, title = {Deposition-precipitation versus anionic-exchange Au/Al2O3 catalysts: a comparative investigation towards the selective reduction of NOx}, journal = {Catalysis Communications}, volume = {26}, year = {2012}, month = {SEP}, pages = {225-230}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Catalytic properties of supported gold catalysts on gamma-Al2O3 prepared by a conventional deposition-precipitation method were compared with those obtained by anionic-exchange for the reduction of NOx by hydrocarbon under lean conditions that simulate Diesel engine exhaust gas. Interestingly, a catalytic activity enhancement is observed after thermal ageing under reactive conditions at 500 degrees C on anionic-exchanged samples which make them suitable for practical developments. On the other hand, the reverse trend is observed on the solids prepared by deposition-precipitation which deactivate at low temperature. Such changes in catalytic properties have been tentatively explained on the basis of textural and structural modifications taking place during thermal ageing under wet atmosphere. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Anionic-exchange, Au catalyst, Deposition-precipitation, NOx abatement, Selective catalytic reduction}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.06.004}, author = {Nguyen, D. L. and Shubhangi B. Umbarkar and Dongare, Mohan K. and Lancelot, Christine and Girardon, J. S. and Dujardin, Christophe and Granger, P.} } @article { ISI:000304646100048, title = {Development of genomic simple sequence repeat markers for linseed using next-generation sequencing technology}, journal = {Molecular Breeding}, volume = {30}, number = {1}, year = {2012}, month = {JUN}, pages = {597-606}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Linseed (Linum usitatissimum L.) is regarded as a cash crop of tomorrow because of the presence of nutraceutically important alpha-linolenic acid (ALA) and lignan. However, only limited breeding progress has been made in this crop, mainly due to the lack of sufficient genetic and genomic resources. Among these, simple sequence repeats (SSR) are useful DNA markers for diversity analysis, genetic mapping and tagging traits because of their co-dominant and highly polymorphic nature. In order to develop SSR markers for linseed, we used three microsatellite isolation methods, viz., PCR Isolation of Microsatellite Arrays (PIMA), 5{\textquoteright}-anchored PCR method, and Fast Isolation by AFLP of Sequences COntaining repeats (FIASCO). The amplified products from these methods were pooled and sequenced using the 454 GS-FLX platform. A total of 36,332 reads were obtained, which assembled into 2,183 contigs and 2,509 singlets. The contigs and the singlets contained 1,842 microsatellite motifs, with dinucleotide motifs as the most abundant repeat type (54\%) followed by trinucleotide motifs (44\%). Based on this, 290 SSR markers were designed, 52 of which were evaluated using a panel of 27 diverse linseed genotypes. Among the three enrichment methods, the 5{\textquoteright}-anchored PCR method was most efficient for isolation of microsatellites, while FIASCO was most efficient for developing SSR markers. We show the utility of next-generation sequencing technology for efficiently discovering a large number of microsatellite markers in non-model plants.

}, keywords = {Flax, Microsatellite isolation, Next-generation sequencing, SSR}, issn = {1380-3743}, doi = {10.1007/s11032-011-9648-9}, author = {Kale, Sandip M. and Pardeshi, Varsha C. and Kadoo, Narendra Y. and Ghorpade, Prakash B. and Jana, Murari M. and Gupta, Vidya S.} } @article {UGC-New Delhi}, title = {Developmental and digestive flexibilities in the midgut of a polyphagous pest, the cotton bollworm, helicoverpa armigera}, journal = {Journal of Insect Science}, volume = {12}, number = {3-4}, year = {2012}, month = {MAR}, pages = {42}, publisher = {UNIV ARIZONA}, address = {LIBRARY C327, TUCSON, AZ 85721 USA}, abstract = {

Developmental patterns and survival of the cotton bollworm, Helicoverpa armigera Hubner (Lepidoptera: Noctuidae), a polyphagous insect pest, have been studied with reference to the effect of diet on major gut digestive enzymes (amylases, proteases, and lipases). Significant correlations between nutritional quality of the diet and larval and pupal mass were observed when H. armigera larvae were fed on various host plants viz. legumes (chickpea and pigeonpea), vegetables (tomato and okra), flowers (rose and marigold), and cereals (sorghum and maize). Larvae fed on diets rich in proteins and/or carbohydrates (pigeonpea, chickpea, maize, and sorghum) showed higher larval mass and developed more rapidly than larvae fed on diets with low protein and carbohydrate content (rose, marigold, okra, and tomato). Low calorific value diets like rose and marigold resulted in higher mortality (25-35\%) of H. armigera. Even with highly varying development efficiency and larval/pupal survival rates, H. armigera populations feeding on different diets completed their life cycles. Digestive enzymes of H. armigera displayed variable expression levels and were found to be regulated on the basis of macromolecular composition of the diet. Post-ingestive adaptations operating at the gut level, in the form of controlled release of digestive enzymes, might be a key factor contributing to the physiological plasticity in H. armigera.

}, keywords = {amylases, larval performance, Lipases, Proteases}, issn = {1536-2442}, doi = {10.1016/j.tetasy.2012.02.004}, author = {Sarate, P. J. and Tamhane, V. A. and Kotkar, H. M. and Ratnakaran, N. and Susan, N. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000325943800011, title = {Dimethyl [(2R,3R,5S)-5-phenylmorpholine-2,3-diyl]diacetate as a designer substrate in the syntheses of important heterocyclic scaffolds}, journal = {Asian Journal of Organic Chemistry}, volume = {1}, number = {1}, year = {2012}, month = {SEP}, pages = {65-70}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Designed scaffold dimethyl [(2R,3R,5S)-5-phenylmorpholine-2,3-diyl]diacetate was synthesized in optically pure form by photoinduced one-electron reductive beta-activation of an alpha,beta-unsaturated carbonyl moiety for stereoselective C-C bond formation. Use of the morpholine derivative as a {\textquoteleft}{\textquoteleft}chemical multitalent{\textquoteright}{\textquoteright} is demonstrated by its easy transformation to valuable heterocyclic building blocks such as methyl [(2R,3S)-3-hydroxy-5-oxopyrrolidin-2-yl]acetate, methyl [(2R,3S)-3-amino-5-oxotetrahydrofuran-2-yl]acetate, (3R,4S)-4-aminohexane-1,3,6-triol, and 2-[(2R,3S)-3-aminotetrahydrofuran-2-yl]ethanol.

}, keywords = {Amino alcohols, butyrolactams, butyrolactones, morpholines, photoinduced electron transfer reactions}, issn = {2193-5807}, doi = {10.1002/ajoc.201200033}, author = {Pandey, Ganesh and Gaikwad, Amrut L. and Gadre, Smita R.} } @article { ISI:000302017500007, title = {Dynamic proteome in enigmatic preeclampsia: an account of molecular mechanisms and biomarker discovery}, journal = {Proteomics Clinical Applications}, volume = {6}, number = {1-2}, year = {2012}, month = {JAN}, pages = {79-90}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The coevolution of genomics and proteomics has led to advancements in the field of diagnosis and molecular mechanisms of disease. Proteomics is now stepping into the field of obstetrics, where early diagnosis of pregnancy complication such as preeclampsia (PE) is imperative. PE is a multifactorial disease characterized by hypertension with proteinuria, which is a leading cause of maternal and neonatal morbidity and mortality occurring in 5-7\% of pregnancies worldwide. This review discusses the probable molecular mechanisms that lead to PE and summarizes the proteomics research carried out in understanding the pathogenicity of PE, and for identifying the candidate biomarker for diagnosis of the disease.

}, keywords = {Hypertension, Oxidative stress, Pregnancy complication, Proteinuria}, issn = {1862-8346}, doi = {10.1002/prca.201100089}, author = {Mary, Sheon and Patil, Gouri V. and Kulkarni, Asmita V. and Kulkarni, Mahesh J. and Joshi, Sadhana R. and Mehendale, Savita S. and Giri, Ashok P.} } @article { ISI:000310642900002, title = {Effect of addition of {\textquoteleft}carrier{\textquoteright} DNA during transient protein expression in suspension CHO culture}, journal = {Cytotechnology}, volume = {64}, number = {6}, year = {2012}, month = {DEC}, pages = {613-622}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Transient protein expression using polyethyleneimine as a transfection agent is useful for the rapid production of small amounts of recombinant proteins. It is known that an increase in extracellular DNA concentration during transfection can lead to a nonlinear increase in intracellular DNA concentration. We present an approach that hypothesizes that this nonlinearity can be used to decrease the amount of plasmid required for productive transfections. Through addition of non coding {\textquoteleft}carrier{\textquoteright} DNA to increase total DNA concentration during transfection, we report a statistically significant increase in protein (IgG) expression per unit plasmid used for transfection. This approach could be useful to increase protein yields for large scale transfections under conditions where plasmid availability is limited.

}, keywords = {Carrier DNA, Cell age, DNA: polyethyleneimine particle size, Medium equilibration with CO2, pH excursion, Salmon sperm DNA, Transient protein expression}, issn = {0920-9069}, doi = {10.1007/s10616-012-9435-4}, author = {Pradhan, Ketaki and Gadgil, Mugdha} } @article { ISI:000300635600002, title = {Effects of arsenite stress on growth and proteome of Klebsiella pneumoniae}, journal = {Journal of Biotechnology}, volume = {158}, number = {1-2}, year = {2012}, month = {MAR}, pages = {8-16}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the present study an arsenite, As(III), tolerating bacterium, MR4, was isolated from Mulla River Pune, India, capable of reducing arsenate to arsenite and identified as Klebsiella pneumoniae (HQ857583). Comparative proteomic analysis using two-dimensional gel electrophoresis (2-DGE) and matrix assisted laser desorption ionization-time of flight-time of flight (MALDI-TOF/ TOF) was used to monitor the proteins undergoing changes in expression levels under 2.5 mM As(III) stress. The 2-DGE proteome map has shown that 60 proteins were differentially expressed under As(III) stress, of which 39 proteins were successfully identified with a MASCOT score greater than 70 (p \< 0.05). Among the identified proteins, membrane transport/ binding proteins, porins, and amino acid metabolism enzymes were down-regulated while stress responsive proteins and antioxidant enzymes were up-regulated. Proteins involved in carbohydrate metabolism, particularly those in pentose phosphate pathway were also up-regulated while those involved in pyruvate metabolism were down-regulated. However, proteins involved in glycolysis and tricarboxylic acid cycle showed a mixed regulation response. These findings provide new insights into the probable mechanisms by which K. pneumoniae (HQ857583) could be adapting to As(III) stress. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {(2-DGE), Arsenite stress, Klebsiella pneumoniae, MALDI-TOF-TOF, Two dimensional gel electrophoresis}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2011.12.013}, author = {Daware, Vandana and Kesavan, Suresh K. and Patil, Rajendra and Natu, Arvind and Kumar, Ameeta and Kulkarni, Mahesh J. and Gade, Wasudeo N.} } @article { ISI:000303485400020, title = {Effects of grain morphology, microstructure and dispersed metal cocatalyst on the photoreduction of water over impurity-doped LaInO3}, journal = {Materials Research Bulletin}, volume = {47}, number = {5}, year = {2012}, month = {MAY}, pages = {1217-1228}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The single phase lanthanum indates doped with Ga (for La) and N (for O), i.e. La1-xGaxInO3 (0 \<= x \<= 0.2) and LaInO1-yNy (y similar to 0.6), exhibit significant activity for photoreduction of water; the yield of H-2 produced depending on dopant, excitation source, and addition of a sacrificial reagent. The two-step H-2 evolution observed for this reaction corresponds with the two distinct absorbance regimes displayed by these materials, one in UV-region due to bandgap excitation and the other in visible region arising from the transitions involving sub-bandgap donor or acceptor energy states. The photocatalytic activity of these d(10) metal oxides increases on coating with a metal/metal oxide co-catalyst, gold exhibiting superior activity to Pt and NiO, irrespective of excitation source and sample composition. The preparation-controlled particle morphology, doping-induced lattice imperfections, and metal/semiconductor hetero-junctions are envisaged to play a key role in the absorption characteristics and photocatalytic water reduction activity of metal/LaInO3 nanocomposites. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Catalytic properties, Chemical synthesis, Electron microscopy, Interfaces, Semiconductors}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2012.01.031}, author = {Dhanasekaran, P. and Gupta, N. M.} } @article { ISI:000301810400032, title = {Efficient lipase purification using reverse micellar extraction}, journal = {Bioresource Technology}, volume = {108}, year = {2012}, month = {MAR}, pages = {224-230}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Reverse micellar extraction (RME) of enzyme provides an attractive option for conventional method with the potential to achieve purification and concentration in a single step with high yield. This study presents a methodology for optimization of RME with Pseudomonas lipase as model system. Fold-purification, percent recovery and extraction time were the objective functions while the type and concentration of surfactant, contact time, pH, ionic strength, and the ratio of organic to aqueous phase were the decision variables. Under optimized conditions, the AOT (Aerosol OT (bis 2-ethylhexyl) sodium sulfosuccinate)-isooctane system gave a 15-fold purification, 80\% recovery and 2.5-fold concentration of the Pseudomonas lipase with process time of 45 min. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {(Hexadicetyltrimethylammoniumbromide), AOT, CTAB, Lipase, RME}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.11.126}, author = {Gaikaiwari, Raghavendra P. and Wagh, Shilpa A. and Kulkarni, Bhaskar D.} } @article { ISI:000304387800025, title = {Efficient total synthesis of calothrixin B}, journal = {Tetrahedron Letters}, volume = {53}, number = {23}, year = {2012}, month = {JUN}, pages = {2894-2896}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of calothrixin B (2) is demonstrated starting from 9H-carbazol-4-ol, having two one-pot reaction sequences as key steps. As a novel observation, DMF-methanol was shown to be a hydride donor for reduction of aldehyde to alcohol. Unexpectedly, nucleophilic substitution of benzyloxy by methoxy group was observed. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Calothrixin B, CAN, DMF-methanol, Hydride donor}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.03.131}, author = {Bhosale, Shrikar M. and Gawade, Rupesh L. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @article { ISI:000307433600013, title = {Enantioselective synthesis of HIV protease inhibitor amprenavir via Co-catalyzed HKR of 2-(1-azido-2-phenylethyl)oxirane}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {11-12}, year = {2012}, month = {JUN}, pages = {898-903}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and efficient enantioselective synthesis of the HIV protease inhibitor amprenavir 1 (99\% ee) as well as a formal synthesis of saquinavir 3 have been achieved in high enantiomeric purity starting from commercially available materials. Our strategy mainly comprises a Co-catalyzed two-stereocentred hydrolytic kinetic resolution (HKR) of racemic 2-(1-azido-2-phenylethyl)oxirane as the chirality inducing step. Also presented is a concise synthesis of (S)-3-hydroxytetrahydrofuran 4, the key structural feature, in high enantiomeric purity (98\% ee). (c) 2012 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.06.003}, author = {Gadakh, Sunita K. and Reddy, R. Santhosh and Sudalai, Arumugam} } @article { ISI:000306280700023, title = {Encapsulation of enzyme in large mesoporous material with small mesoporous windows}, journal = {Chemical Communications}, volume = {48}, number = {63}, year = {2012}, month = {JUN}, pages = {7853-7855}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Trypsin has been encapsulated in the mesopores of a hierarchical mesoporous silica material synthesized via Cu(I) catalyzed azide-alkyne click reaction between azide functionalized large spherical SBA-15 particles and alkyne functionalized mesoporous silica nanoparticles (MSNs). Encapsulated trypsin functions as an efficient biocatalyst and can be recycled several times.

}, issn = {1359-7345}, doi = {10.1039/c2cc33592a}, author = {Malvi, Bharmana and Sen Gupta, Sayam} } @article { ISI:000307207300023, title = {Enhanced permeation, leaf retention, and plant protease inhibitor activity with bicontinuous microemulsions}, journal = {Journal of Colloid and Interface Science}, volume = {383}, year = {2012}, month = {OCT}, pages = {177-183}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Bicontinuous microemulsions (BCMEs) have excellent solubulizing properties along with low interfacial tension and aqueous content that can be controlled. In this work, water soluble plant protease inhibitor (PI), well characterized for its activity against insect pests, was incorporated into a BCME system and explored for permeation on hydrophobic leaf surfaces and protease inhibition activity. The bicontinuous nature of the microemulsion containing water:2-propanol:1-butanol (55:35:10 w/w) was characterized using conductivity and self-diffusion coefficient measurements. The PI was soluble in the water-rich bicontinuous domains, stable in the microemulsions, and protease inhibition activity was retained for a prolonged duration. The microemulsions ensured greater wettability and a wider spread of the PI on hydrophobic leaf surfaces as revealed by contact angle measurements. Significantly, trypsin inhibition activity assays of the PI recovered from the leaves after delivery from the microemulsion indicated a significant increase in the PI retention on the leaf. This BCME enabled greater leaf permeation and retention of the PI can be attributed to a temporary disruption of the waxy leaf surface followed by self-repair without causing any long term damage to the plant. (C) 2012 Elsevier Inc. All rights reserved.

}, keywords = {Bicontinuous microemulsion, Biopesticide, Microemulsion pesticide, protease inhibitor, Protein encapsulation, Protein permeation}, issn = {0021-9797}, doi = {10.1016/j.jcis.2012.06.025}, author = {Tamhane, Vaijayanti A. and Dhaware, Deepika G. and Khandelwal, Neha and Giri, Ashok P. and Panchagnula, Venkateswarlu} } @article { ISI:000309644400011, title = {Enhanced photocatalytic activity of multi-doped TiO2 for the degradation of methyl orange}, journal = {Applied Catalysis A-General}, volume = {443}, year = {2012}, month = {NOV}, pages = {96-102}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We report the synergistic effect of dopants like Gd, N and Sin enhancing the photocatalytic activity of TiO2. Nanosized TiO2 doped at both cationic and anionic sites by Gd, N and S exhibited increased photocatalytic activity compared to TiO2 doped with either Gd or N and S. All the doped TiO2 existed as anatase phase and no separate phase due to Gd2O3 was seen up to a Gd concentration of 2\%. The particle size as seen from the transmission electron micrograph was similar to 25 nm. The optical absorption property of TiO2 was improved by doping and redshift of the absorption edge is seen for all doped samples compared to pristine TiO2. The red shift of the absorption edge was the highest for the multiple ion-doped sample. Presence of bonded N and S in TiO2 was detected by X-ray photoelectron spectroscopy. Fluorescence lifetime studies indicated an enhanced lifetime for the charge carriers in the doped system compared to pristine TiO2. Photocatalytic activity study showed that the multi-doped sample has the highest activity for the degradation of methyl orange compared to Gd-TiO2, NS-TiO2 and pristine TiO2. The enhanced photocatalytic activity of the multi-doped TiO2 is attributed to factors such as improved optical absorption property and improved lifetime of the charge carriers. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Fluorescence lifetime, Gd N S doped TiO2, Methyl orange, Photocatalyst, Photodegradation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2012.07.032}, author = {Charanpahari, A. and Umare, S. S. and Gokhale, S. P. and Sudarsan, V. and Sreedhar, B. and Sasikala, R.} } @article { ISI:000300185800011, title = {Enhancing the hydrogen storage capacity of Pd-functionalized multi-walled carbon nanotubes}, journal = {Applied Surface Science}, volume = {258}, number = {8}, year = {2012}, month = {FEB}, pages = {3405-3409}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We demonstrate that the hydrogen storage capacity of multi-walled carbon nanotubes can be enhanced by polyvinylpyrrolidone functionalization. The polyvinylpyrrolidone acts as a stabilizing agent for Pd-nanoparticles, reduces their size and facilitates their uniform and enhanced loading onto multi-walled carbon nanotubes. According to sorption studies, the polyvinylpyrrolidone capping and consequent nanostructural modification enables 2.3 times more hydrogen adsorption than mere Pd-functionalization of multi-walled carbon nanotubes. Corresponding morphological changes before and after polyvinylpyrrolidone capping, characterized using Raman Spectroscopy, X-ray diffraction, TEM and thermal analysis techniques, are also presented. The results contribute towards increasing the efficiency of hydrogen based sustainable energy sources. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Hydrogen based energy sources, Hydrogen storage capacity, Multiwalled carbon nanotubes, Pd functionalization, PVP capping}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2011.11.075}, author = {Singh, Priyanka and Kulkarni, Mukta V. and Gokhale, Suresh P. and Chikkali, Samir H. and Kulkarni, Chandrashekhar V.} } @article {42649, title = {Environmental pollution reduction in cement industry for cocombustion of waste tyre and coal as a fuel}, journal = {International Journal of Modern Engineering Research }, volume = {2}, year = {2012}, month = {DEC}, pages = {4652-4656}, abstract = {

In recent years, there are several problems encountered in waste management system particularly waste tyre as well as coals. The energy generation on incineration provides large amount of polycyclic aromatic hydrocarbon (PAH) emissions which is the cause of major environmental threat. Therefore, the combustion of coal and tyre were carried out in cement industry in order to generate heat energy at 1300oC and the only remaining residue (steel powder) to enhance the strength of the cement. At the outset, the particle size of coal and tyre was cut into 63-75 and 180-212 {\textmu}m respectively. Combustion experiments were conducted using Nelson reactor under controlled conditions in presence of air and also in presence of nitrogen gas (INOX) atmosphere. The temperature range was varied from 300-13000C and several fuel mass loading in the furnace, expressed in terms of bulk equivalence ratios in the range of 0.7-2.4. At fixed bulk equivalence ratios, as the furnace gas (Air) temperature increased the polycyclic aromatic hydrocarbon yields from both fuels decreased drastically, while the CO2 yields increased. At the highest temperature around 13000C, the effluent of combustion of both (coal and tyre) fuels was practically devoid of polycyclic aromatic hydrocarbon (PAH) (at a detection limit of 0.3 {\textmu}g of a PAH component/g of fuel burnt). In order to understand the rate of thermal effect and morphology of co combustion material (coal and tyre), the preliminary results are very essential to explore. Therefore, the thermo gravimetric analysis (TGA) and environmental scanning electron microscopy (ESEM) were carried out and results of coal and tyre mixture at various temperature conditions will be highlighted.

}, author = {Patil, R. K. and Garnaik, Baijayantimala and Khond, M. P. and Nawale, L. G.} } @article { ISI:000301936700004, title = {Environmentally benign synthesis of beta-hydroxy sulfides using cyclic carbonates catalyzed by large-pore zeolites}, journal = {Green Chemistry Letters and Reviews}, volume = {5}, number = {1}, year = {2012}, month = {AUG}, pages = {19-26}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

An efficient one-pot synthesis of beta-hydroxy sulfides from thiophenol and cyclic carbonates catalyzed by large-pore zeolites has been reported. Reaction of thiophenol with ethylene carbonate in the presence of the Na-X zeolite catalyst gave the highest yield of 2-(phenylthio)ethanol (100\%), while reaction with propylene carbonate a highest yield of regioselective product 1-(phenylthio)propan-2-ol was obtained (97\%). Enantiomerically pure 1,2-propylene carbonate gave highly regioselective and stereospecific phenylthiopropanol, demonstrating that original chirality of propylene carbonate is retained. A plausible mechanism has been proposed for zeolite-catalyzed transformation involving a chemoselective nucleophilic attack of thiophenoloxide ion onto the less-substituted carbon of cyclic carbonate. The Na-X zeolite catalyst is recyclable and provides advantages of green chemistry approach to the synthesis of beta-hydroxy sulfides without the use of any solvent.

}, keywords = {beta-hydroxy sulfide, ethylene carbonate, propylene carbonate, thiophenol, zeolite}, issn = {1751-8253}, doi = {10.1080/17518253.2011.574295}, author = {Upare, Pravin P. and Kinage, Anil K. and Shingote, Savita K. and Gupte, Sunil P.} } @article { ISI:000312301800017, title = {Epitaxial magnetic oxide nanocrystals via phase decomposition of bismuth perovskite precursors}, journal = {Advanced Functional Materials}, volume = {22}, number = {24}, year = {2012}, month = {DEC}, pages = {5224-5230}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The phase instability of bismuth perovskite (BiMO3), where M is a ferromagnetic cation, is exploited to create self-assembled magnetic oxide nanocrystal arrays on oxide supports. Conditions during pulsed laser deposition are tuned so as to induce complete breakdown of the perovskite precursor into bismuth oxide (Bi2O3) and metal oxide (M-Ox) pockets. Subsequent cooling in vacuum volatizes the Bi2O3 leaving behind an array of monodisperse nanocrystals. In situ reflective high energy electron diffraction beam is exploited to monitor the synthesis in real-time. Analysis of the patterns confirms the phase separation and volatization process. Successful synthesis of M-Ox, where M = Mn, Fe, Co, and Cr, is shown using this template-free facile approach. Detailed magnetic characterization of nanocrystals is carried out to reveal the functionalities such as magnetic anisotropy as well as larger than bulk moments, as expected in these oxide nanostructures.

}, keywords = {Bi2O3 evaporation, bismuth perovskites, epitaxial nanostructures, magnetic oxides, phase separation}, issn = {1616-301X}, doi = {10.1002/adfm.201201066}, author = {Bogle, Kashinath A. and Cheung, Jeffrey and Chen, Yong-Lun and Liao, Sheng-Chieh and Lai, Chih-Hung and Chu, Ying-Hao and Gregg, John M. and Ogale, Satishchandra B. and Valanoor, Nagarajan} } @article { ISI:000306066600010, title = {Equation-of-motion coupled-cluster method for the study of shape resonance}, journal = {Journal of Chemical Physics}, volume = {136}, number = {23}, year = {2012}, month = {JUN}, pages = {234110}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

The equation-of-motion coupled-cluster method (EOM-CC) is applied for the first time to calculate the energy and width of a shape resonance in an electron-molecule scattering. The procedure is based on inclusion of complex absorbing potential with EOM-CC theory. We have applied this method to investigate the shape resonance in e(-)N(2), e(-)CO, and e(-)C(2)H(2). (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4729464]

}, issn = {0021-9606}, doi = {10.1063/1.4729464}, author = {Ghosh, Aryya and Vaval, Nayana and Pal, Sourav} } @article {42782, title = {Ethyl oligo-silicates with strong acid heterogeneous polymeric catalysts}, number = {PCT/IB2011/002531}, year = {2012}, month = {MAY}, type = {Application}, abstract = {

The present invention provides a process for the synthesis of ethyl silicate with varying silica concentration, by hydrolysing ethyl silicate in varying water concentration in the presence of sulfonated catalysts having a styrene-divinyl benzene backbone. The present invention further relates to the preparation of beaded crosslinked polymers containing sulfonic acid moieties having an interconnected pore structure and surface area up to 400 m2 /g.

}, author = {Bevara, Madhusudana Rao and Bhongale, Sunil Sitaram and Bhosle, Sonali Madhavrao and Chavan, Nayaku and Chelanattukizhakkemadath, Raman Rajan and Deokar, Sarika Babasaheb and Dhoble, Deepa Arun and Dwivedi, Mayank and Ghorpade, Ravindra V. and Harikrishna, Reghunathan and Dhanasekharan, Janakiraman and John, Aruldoss and Locanindi, Hari Sarvothama Rao and Momin, Mohasin Shamshuddin and Mulani, Khudbudin Baban and Mule, Smita Atmaram and Nalawade, Archana Chetan and Punitharasu, Vellimalai and Qureshi, Mohammed Shadbar and Kumar, Tayal Rajiv and Shaikh, Wasif Abdul Lateef and Sontakke, Kalpana Vishwanathrao and Reddy, Krishna Mohan Srinivasulu and Sriperambudur, Rajesh Kumar and Ponrathnam, Surendra} } @article { ISI:000303426500018, title = {Evidence of cationic Pt active for water-gas shift reaction: Pt-doped BaCeO3 perovskite}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {17}, year = {2012}, month = {MAY}, pages = {9526-9532}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Precious metal incorporated into stable lattices like perovskites can be envisaged as an alternative catalysts to address deactivation problems. Here we report the barium cerate perovskite doped with varying amounts of Pt as catalysts for the water-gas shift reaction whereby ionic Pt is evidenced to be active. It is found that maximum CO conversion occurs above 325 degrees C and increases more than 2-fold after the first cycle. XPS analysis shows that after the first cycle, more ionic Pt species are present on the surface of the catalyst. X-ray and neutron diffraction studies also indicate the presence of oxygen vacancies that increases with increasing Pt substitution.

}, issn = {1932-7447}, doi = {10.1021/jp212211d}, author = {Rajesh, Thattarathody and Rajarajan, Anakot K. and Gopinath, Chinnakonda S. and Devi, R. Nandini} } @article { ISI:000307494500027, title = {Exploring the potential of doped zero-dimensional cages for proton transfer in fuel cells: a computational study}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {32}, year = {2012}, month = {AUG}, pages = {9803-9811}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Calculations with density functional theory (DFT) and MP2 have been done to investigate the potential of recently synthesized durable zero-dimensional (OD) nitrogen-based cage structures to perform as efficient proton-exchange membranes (PEMs) in fuel cells. Our calculations suggest that the hydrogenated 0-D cages, in combination with hydrogen-bonding 1,2,3- and 1,2,4-triazole molecules, would perform as highly efficient PEMs. The results are important in the context of the need for efficient PEMs for fuel cells, especially at higher temperatures (greater than 120 degrees C) where conventional water-based PEMs such as Nafion have been found to be ineffective.

}, issn = {1520-6106}, doi = {10.1021/jp303884p}, author = {Mane, Manoj V. and Venkatnathan, Arun and Ghatak, Kamalika and Vanka, Kumar} } @article { ISI:000302832800039, title = {Extraction and purification of tannase by reverse micelle system}, journal = {Separation and Purification Technology}, volume = {89}, year = {2012}, month = {MAR}, pages = {288-296}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Tannin acyl hydrolase commonly called as tannase (EC 3.1.1.20) is a commercially important enzyme. Partially purified and concentrated tannase is required for commercial applications. Typical objectives of purification process comprise high fold-purification, recovery and concentration. These objectives may be potentially conflicting. Conventional methods of purification require multiple steps which are time consuming and may cause higher loss. Reverse micellar extraction (RME) using ionic surfactants provides an attractive option for concentration and purification of tannase which is a highly hydrophilic glycoprotein. This study presents an optimized methodology for RME and purification of Aspergillus allahabadi intracellular tannase. Fold-purification, percent recovery and extraction time were the objective while the type and concentration of surfactant, contact time, pH, ionic strength, and the ratio of organic to aqueous phase were the decision variables. Some of these parameters were also studied for their effect on back-extraction. Among the surfactants tested, CTAB-isooctane system was found to be suitable. Under optimized conditions, 12.7-fold purification, 81.2\% recovery and 3-fold concentration of tannase with a process time of 45 min was obtained. Conventional purification methods provided a higher fold-purification albeit at a much lower enzyme recovery. Further, the conventional method requires a process time of several hours. (c) 2012 Elsevier B.V. All rights reserved.

}, keywords = {CTAB, Reverse micellar extraction, Tannase}, issn = {1383-5866}, doi = {10.1016/j.seppur.2012.01.043}, author = {Gaikaiwari, Raghavendra P. and Wagh, Shilpa A. and Kulkarni, Bhaskar D.} } @article { ISI:000301990100016, title = {Factors affecting the production of H-2 by water splitting over a novel visible-light-driven photocatalyst GaFeO3}, journal = {International Journal of Hydrogen Energy}, volume = {37}, number = {6}, year = {2012}, month = {MAR}, pages = {4897-4907}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A d(10) photocatalyst, GaFeO3 having a band gap of similar to 2.7 eV, exhibits significant activity for the overall splitting of water under visible light (\>395 nm) irradiation, in the absence of sacrificial reagent or a noble metal co-catalyst. The doping of an anion led to considerable enhancement in activity, the S-doped catalysts displaying better activity compared to the samples containing nitrogen. Even though the H-2/O-2 yields were affected by preparation-dependent grain morphology, no direct relationship was observed between the photoactivity of a sample and its specific surface area. The techniques of HRTEM, SEM, XPS, Laser Raman, UV-visible and photoluminescence spectroscopy have enabled to demonstrate that, besides the grain morphology, certain lattice imperfections and microstructure may also play a crucial role in water splitting activity of a photocatalyst. The factors responsible for catalyst deactivation are examined. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {GaFeO3, hydrogen production, Microstructure, Photocatalyst, water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2011.12.068}, author = {Dhanasekaran, P. and Gupta, N. M.} } @article {43235, title = {First-principle protocol for calculating ionization energies and redox potentials of solvatedmolecules and ions: theory and application to aqueous phenol and phenolate}, journal = {Journal of Physical Chemistry B}, volume = {116}, year = {2012}, month = {JUN}, pages = {7269-7280}, abstract = {The effect of hydration on the lowest vertical ionization energy (VIE) of phenol and phenolate solvated in bulk water was characterized using the equation-of-motion ionization potential coupled-cluster (EOM-IP-CCSD) and effective fragment potential (EFP) methods (referred to as EOM/EFP) and determined experimentally by valence photoemission measurements using microjets and synchrotron radiation. The computed solvent-induced shifts in VIEs (Delta VIEs) are 0.66 and +5.72 eV for phenol and phenolate, respectively. Our best estimates of the absolute values of VIEs (7.9 and 7.7 eV for phenol and phenolate) agree reasonably well with the respective experimental values (7.8 +/- 0.1 and 7.1 +/- 0.1 eV). The EOM/EFP scheme was benchmarked against full EOM-IP-CCSD using microsolvated phenol and phenolate clusters. A protocol for calculating redox potentials with EOM/EFP was developed based on linear response approximation (LRA) of free energy determination. The oxidation potentials of phenol and phenolate calculated using LRA and EOM/EFP are 1.32 and 0.89 V, respectively; they agree well with experimental values.}, doi = {10.1021/jp301925k}, author = {Ghosh, Debashree and Roy, Anirban and Seidel, Robert and Winter, Bernd and Bradforth, Stephen and Krylov, Anna I.} } @article { ISI:000303429600017, title = {Formal synthesis of (-)-stemoamide using a useful epimerization at C-8}, journal = {Tetrahedron Letters}, volume = {53}, number = {21}, year = {2012}, month = {MAY}, pages = {2647-2650}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The formal synthesis of (-)-stemoamide was achieved starting from L-pyroglutamic acid. The key steps used are the allylation using BF3 center dot OEt2, ring closing metathesis, allylic oxidation and a novel epimerization at C8. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Allylation, Allylic oxidation, Pyroglutamic acid, Ring closing metathesis, Stemoamide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.03.054}, author = {Chavan, Subhash P. and Harale, Kishor R. and Puranik, Vedavati G. and Gawade, Rupesh L.} } @article { ISI:000305831300031, title = {From small aromatic molecules to functional nanostructured carbon by pulsed laser-induced photochemical stitching}, journal = {AIP Advances}, volume = {2}, number = {2}, year = {2012}, month = {JUN}, pages = {Article No. 022130}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

A novel route employing UV laser pulses (KrF Excimer, 248 nm) to cleave small aromatic molecules and stitch the generated free radicals into functional nanostructured forms of carbon is introduced. The process differs distinctly from any strategies wherein the aromatic rings are broken in the primary process. It is demonstrated that this pulsed laser-induced photochemical stitching (PLPS) process when applied to routine laboratory solvents (or toxic chemical wastes when discarded) Chlorobenzene and o-Dichlorobenzene yields Carbon Nanospheres (CNSs) comprising of graphene-like sheets assembled in onion-like configurations. This room temperature process implemented under normal laboratory conditions is versatile and clearly applicable to the whole family of haloaromatic compounds without and with additions of precursors or other nanomaterials. We further bring out its applicability for synthesis of metal-oxide based carbon nanocomposites. Copyright 2012 Author(s). This article is distributed under a Creative Commons Attribution 3.0 Unported License. [http://dx.doi.org/10.1063/1.4721268]

}, issn = {2158-3226}, doi = {10.1063/1.4721268}, author = {Gokhale, R. R. and Thakare, V. P. and Warule, S. and Lefez, Benoit and Hannoyer, Beatrice and Jog, Jyoti Prakash and Ogale, S. B.} } @article { ISI:000306799700029, title = {Functional characterization and differential expression studies of squalene synthase from Withania somnifera}, journal = {Molecular Biology Reports}, volume = {39}, number = {9}, year = {2012}, month = {SEP}, pages = {8803-8812}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Squalene synthase (SQS: EC 2.5.1.21) is a potential branch point regulatory enzyme and represents the first committed step to diverge the carbon flux from the main isoprenoid pathway towards sterol biosynthesis. In the present study, cloning and characterization of Withania somnifera squalene synthase (WsSQS) cDNA was investigated subsequently followed by its heterologous expression and preliminary enzyme activity. Two different types of WsSQS cDNA clones (WsSQS1and WsSQS2) were identified that contained an open reading frames of 1,236 and 1,242 bp encoding polypeptides of 412 and 414 amino acids respectively. Both WsSQS isoforms share 99 \% similarity and identity with each other. WsSQS deduced amino acids sequences, when compared with SQS of other plant species, showed maximum similarity and identity with Capsicum annuum followed by Solanum tuberosum and Nicotiana tabacum. To obtain soluble recombinant enzymes, 24 hydrophobic amino acids were deleted from the carboxy terminus and expressed as 6X His-Tag fusion protein in Escherichia coli. Approximately 43 kDa recombinant protein was purified using Ni-NTA affinity chromatography and checked on SDS-PAGE. Preliminary activity of the purified enzymes was determined and the products were analyzed by gas chromatograph-mass spectrometer (GC-MS). Quantitative real-time PCR (qRT-PCR) analysis showed that WsSQS expresses more in young leaves than mature leaves, stem and root.

}, keywords = {Gas chromatograph-Mass Spectrometer (GC-MS), qRT-PCR, Squalene synthase, Withania somnifera}, issn = {0301-4851}, doi = {10.1007/s11033-012-1743-4}, author = {Gupta, Neha and Sharma, Poonam and Kumar, R. J. Santosh and Vishwakarma, Rishi K. and Khan, Bashir Mohammad} } @article { ISI:000305419900012, title = {Gamma-Al2-xMxO3 +/- y (M = Ti4+ through Ga3+): potential pseudo-3D mesoporous materials with tunable acidity and electronic structure}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {27}, year = {2012}, month = {APR}, pages = {13484-13493}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and highly efficient surfactant-free sol-gel process has been developed to obtain nanocrystalline mesoporous gamma-Al2O3 and metal ion incorporated mesoporous gamma-Al2O3 with general formula gamma-Al2-xMxO3 +/- y (where M = Ti4+ through Ga3+). Any one of the first row transition metal (TM) ions along with Ga3+ could be introduced into the gamma-Al2O3 framework in a direct one-pot synthesis process. The generality of the present synthesis recipe for metal ion incorporation in gamma-Al2O3 was demonstrated by preparation of an Al-Ga-M ternary oxide system with the metal ion composition of general formula Al9GaTM (TM = Ti4+ to Zn2+) and their characterization through various physicochemical and spectroscopic techniques. The mesoporous gamma-Al2-xMxO3 +/- y materials showed a BET surface area in the range of 200-400 m(2) g(-1) with a narrow pore size distribution. Wormhole mesoporosity makes the material pseudo-3D (p3D) with a small pore depth of few nm (\<10 nm). Metal ions in gamma-Al2O3 lead to changes in the acidity and electronic environment. XRD, TEM, and Al-27 MAS NMR studies demonstrate that the sol-gel process and the disordered mesoporous structure allow Ga and TM ions to be highly distributed and integrated in the gamma-Al2O3 framework. The efficacy of these materials in catalysis has been successfully evaluated for steam reforming of dimethylether: Ni, Cu and Zn containing Al9GaTM oxides showed high activity and stability. The smaller mesochannel depth (\<10 nm) and pseudo-3D characteristics that arise due to the wormhole-type disordered mesoporous framework of these alumina materials facilitate mass transport through them without any leaching of metal ions out of the lattice and pore blocking during the reaction, which makes them attractive in catalysis. This preparation method is versatile enough to be used for a reproducible synthesis of metal ion incorporated mesoporous gamma-Al2O3 by varying the metal content and their combinations, and it is expected that many other metal ions could be introduced into the lattice framework for a variety of applications by tuning acidity and electronic structure.

}, issn = {0959-9428}, doi = {10.1039/c2jm31184d}, author = {Mathew, Thomas and Sivaranjani, Kumarsrinivasan and Gnanakumar, Edwin S. and Yamada, Yusuke and Kobayashi, Tetsuhiko and Gopinath, Chinnakonda S.} } @article { ISI:000295666100008, title = {Geographic variation in the flavour volatiles of alphonso mango}, journal = {Food Chemistry}, volume = {130}, number = {1}, year = {2012}, month = {JAN}, pages = {58-66}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Alphonso, one of the most popular cultivars of mango in India is known to exhibit geographic variation in the flavour of ripe fruits. To get chemical insight into this difference, volatiles were studied in the ripening fruits of Alphonso mangoes from three cultivation locations in India. Ripe fruits from Deogad had lower content of mono- and sesquiterpenes and higher content of lactones and furanones as compared to the fruits from Dapoli: whereas fruits from Vengurle had average quantities of these chemicals in comparison with Deogad and Dapoli fruits. This variation was clearly reflected as separate clustering of the localities in the Principal Component Analysis. The localities were indistinguishable from each other in terms of raw fruit volatiles. This study exemplifies a case of phenotypic plasticity; since the plants chosen were clonally propagated, such geographic variation in the volatiles can be attributed to varied abiotic conditions at these three localities. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Mango, Phenotypic plasticity, Ripening, Volatiles}, issn = {0308-8146}, doi = {10.1016/j.foodchem.2011.06.053}, author = {Kulkarni, Ram S. and Chidley, Hemangi G. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article { ISI:000307300900016, title = {Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding}, journal = {Chemical Communications}, volume = {48}, number = {71}, year = {2012}, month = {JUL}, pages = {8922-8924}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes a set of hybrid foldamers that do not feature inter-residual, but intra-residual backbone hydrogen-bonding, yet adopt a preferentially folded conformation displaying right-handed helical architecture. Conformational ordering is apparently due to the combined conformational restrictions imposed by the conformationally restricted individual amino acid residues with which the oligomers are made of.

}, issn = {1359-7345}, doi = {10.1039/c2cc33235c}, author = {Priya, Gowri and Kotmale, Amol S. and Gawade, Rupesh L. and Mishra, Deepti and Pal, Sourav and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000308778100017, title = {Highly diastereoselective total synthesis of (+/-)-heritonin and (+/-)-heritol}, journal = {Tetrahedron}, volume = {68}, number = {40}, year = {2012}, month = {OCT}, pages = {8509-8514}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A highly diastereoselective synthesis of heritol and heritonin by intramolecular cyclization on a preformed sensitive butenolide functionality is described. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Butenolide, cyclization, Dihydroxylation, Friedel-Crafts acylation, Tetralone}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.07.020}, author = {Chavan, Subhash P. and Garai, Sumanta and Kalkote, Uttam R.} } @article { ISI:000303362900001, title = {Highly efficient (R-X-R)-type carbamates as molecular transporters for cellular delivery}, journal = {Journal of the American Chemical Society}, volume = {134}, number = {17}, year = {2012}, month = {MAY}, pages = {7196-7199}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The (R-X-R) motif-containing arginine-rich peptides are among the most effective cell-penetrating peptides. The replacement of amide linkages in the (R-X-R) motif by carbamate linkages as in (r-ahx-r)(4) or (r-ahx-r-r-apr-r)(2) increases the efficacy of such oligomers several-fold. Internalization of these oligomers in mammalian cell lines occurs by an energy-independent process. These oligomers show efficient delivery of biologically active plasmid DNA into CHO-K1 cells.

}, issn = {0002-7863}, doi = {10.1021/ja210026m}, author = {Patil, Kiran M. and Naik, Rangeetha J. and Rajpal and Fernandes, Moneesha and Ganguli, Munia and Kumar, Vaijayanti A.} } @article {42514, title = {Highly selective and dual responsive test paper sensor of Hg2+/ Cr3+ for naked eye detection in neutral water}, journal = {RSC Advances}, volume = {2}, year = {2012}, month = {MAR}, pages = {3714-3721}, abstract = {

A highly selective and sensitive colorimetric and fluorogenic sensor (L1) for Hg2+/Cr3+ is reported. This reagent (L1) was synthesized by reacting 4-((4 (dimethylamino)phenyl)diazenyl)benzene-1-sulfonyl chloride, which has a dimethylaminophenyldiazenyl fragment as a photoactive signalling unit, with 2,2'-(3,3'-azanediylbis(propane-3,1-diyl))diisoindoline-1,3-dione as the receptor fragment. The reagent was characterized by standard analytical and spectroscopic techniques. Electronic spectral studies revealed that the reagent was selective for Hg2+ and Cr3+ in the presence of all other metal ions of Group 1A, IIA and all other common transition metal ions. On binding of L1 to the Hg2+ or Cr3+ centres, a new intense absorption band with a λmax of 509 nm appeared with associated changes in the visually detectable solution colour from yellow to red. Fluorescence spectral studies revealed a significant enhancement in the emission intensities upon coordination to Hg2+ or Cr3+ without any change in the emission wavelength. This could be explained by the efficient interruption of the photo induced electron transfer signalling mechanism involving an unshared pair of electrons from the central tertiary amine centre. An easy to prepare paper test kit, which was obtained by soaking the filter paper in a dichloromethane solution of L1, presents an approach that could be successfully used in the detection of Hg2+ or Cr3+ ions present in neutral aqueous media. This indicates the potential application of this dip strip type sensor for the detection of Hg2+ and Cr3+ in neutral aqueous environments without any spectroscopic instrumentation. Importantly, this reagent binds specifically to Cr3+ in the presence of an excess of iodide ions, which act as a masking agent for Hg2+. To the best of our knowledge, there are very few examples of detection limits lower than the present test strip for Hg2+ in the literature, while, for Cr3+, no such report is available.

}, doi = {10.1039/C2RA00788F}, author = {Das, Priyadip and Ghosh, Amrita and Bhatt, Hitesh and Das, Amitava} } @article { ISI:000311832900049, title = {Improved inhibition of telomerase by short twisted intercalating nucleic acids under molecular crowding conditions}, journal = {Nucleic Acid Therapeutics}, volume = {22}, number = {6}, year = {2012}, month = {DEC}, pages = {399-404}, publisher = {MARY ANN LIEBERT INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {

Human telomeric DNA has the ability to fold into a 4-stranded G-quadruplex structure. Several G-quadruplex ligands are known to stabilize the structure and thereby inhibit telomerase activity. Such ligands have demonstrated efficient telomerase inhibition in dilute conditions, but under molecular crowding conditions mimicking physiological milieu, stabilization of the telomeric G-quadruplex is often lost. We attempted to demonstrate the enhanced G-quadruplex stabilizing ability under molecular conditions by using twisted intercalating nucleic acids (TINA)-modified oligonucleotides. We have shown using circular dichroism and ultraviolet spectroscopic methods that these TINA-modified short oligonucleotides function as G-quadruplex, inducing agents and participate in the formation of stabilized 3:1 G-quadruplex with the human telomeric oligonucleotide. Using enzyme-linked immunosorbent assay-based telomerase repeat amplification assay (TRAP) assay as well as nondenaturing polyacrylamide gel electrophoresis-based TRAP, we demonstrate remarkable enhancement in their anti-telomerase activity even under molecular crowding conditions. This is the first time in which a G-quadruplex stabilizing agent has demonstrated enhanced activity even under molecular crowding conditions.

}, issn = {2159-3337}, doi = {10.1089/nat.2012.0372}, author = {Agarwal, Tani and Pradhan, Devranjan and Geci, Imrich and El-Madani, Amro M. and Petersen, Michael and Pedersen, Erik B. and Maiti, Souvik} } @article { ISI:000302893400028, title = {In situ encapsulation of ultra small ceria nanoparticles stable at high temperatures in the channels of mesoporous silica}, journal = {Microporous and Mesoporous Materials}, volume = {155}, year = {2012}, month = {JUN}, pages = {215-219}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Ultra small ceria nanoparticles of sizes \<2 nm stable at 500 degrees C are encapsulated in the channels of mesoporous silica by employing a novel method of synthesis. The method involves modifying non-ionic polymer templates with ionic surfactants to enhance anchoring of metal ion precursors. In this way, further silica wall formation around the template ensures isolation of the nanoparticles exclusively within the channels after template removal by heat treatment. Further understanding of the interaction of the composite template system and cerium precursor is gained by cyclic voltammetric studies. (C) 2012 Elsevier Inc. All rights reserved.

}, keywords = {ceria, Encapsulation, Mesoporous silica, Template synthesis}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2012.02.006}, author = {Ghosh, Sumona and Jijil, Chamundi P. and Devi, R. Nandini} } @article { ISI:000312157100027, title = {In situ pH maintenance for mammalian cell cultures in shake flasks and tissue culture flasks}, journal = {Biotechnology Progress}, volume = {28}, number = {6}, year = {2012}, month = {NOV}, pages = {1605-1610}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

pH in animal cell cultures decreases due to production of metabolites like lactate. pH control via measurement and base addition is not easily possible in small-scale culture formats like tissue-culture flasks and shake flasks. A hydrogel-based system is reported for in situ pH maintenance without pH measurement in such formats, and is demonstrated to maintain pH between 6.8 and 7.2 for a suspension CHO cell line in CD CHO medium and between 7.3 and 7.5 for adherent A549 cells in DMEM:F12 containing 10\% FBS. This system for pH maintenance, along with our previous report of hydrogels for controlled nutrient delivery in shake flasks can allow shake flasks to better mimic bioreactor-based fed batch operation for initial screening during cell line and process development for recombinant protein production in mammalian cells. (C) 2012 American Institute of Chemical Engineers Biotechnol. Prog., 2012

}, keywords = {high throughput screening, pH control for cell culture, pH control in shake flask, pH control in tissue culture flasks, small scale platforms for cell culture}, issn = {8756-7938}, doi = {10.1002/btpr.1614}, author = {Pradhan, Ketaki and Pant, Tejal and Gadgil, Mugdha} } @article { ISI:000303281200026, title = {In vitro enzyme mediated synthesis of metal sulfide nanoparticles: control of particle size of CdS, Ni7S6, PbS, Co3S4 nanoparticles using synthetic peptides}, journal = {Science of Advanced Materials}, volume = {4}, number = {1}, year = {2012}, month = {JAN}, pages = {179-186}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

We report the use of enzyme sulfite reductase for the in vitro synthesis of technologically important metal sulfide quantum dots viz. Co3S4, PbS and Ni7S6. Also we report the use of synthetic peptides to control the particle size of the above metal sulfide quantum dots in addition to CdS, synthesized using enzyme. Sulfite reductase when incubated with aqueous CdCl2, or Co(NO3)(3) or NiCl2 or Pb(NO3)(2), and Na2SO3 in the presence of the appropriate capping peptide resulted in the synthesis of particle size controlled CdS, Co3S4, Ni7S6, or PbS quantum dots respectively. These, enzyme mediated synthesized and size controlled metal sulfide quantum dots, were characterized using Absorbance and photoluminescence spectrometry, X-ray diffraction, X-ray photoelectron spectroscopy and High resolution-transmission electron microscopy.

}, keywords = {Capping Peptide, Enzyme, Metal Sulfide Nanoparticles, quantum dots, Size Control, Sulfite Reductase}, issn = {1947-2935}, doi = {10.1166/sam.2012.1270}, author = {Ansary, Abu Ayoobul and Khan, Muhammed I. and Gaikwad, Sushama M.} } @article {42499, title = {Interrupted PET coupled TBET process for the design of a specific receptor for Hg2+ and its intracellular detection in MCF7 cells}, journal = {Chemical Communications}, volume = {48}, year = {2012}, month = {JUL}, pages = {9293-9295}, abstract = {

A new coumarin{\textendash}rhodamine conjugate constitutes a unique example of the interrupted PET coupled TBET response for developing an imaging reagent for determining the intracellular distribution of Hg2+ in MCF7 cells exposed to [Hg2+] as low as 2 ppb.

}, doi = {10.1039/C2CC34490D}, author = {Saha, Sukdeb and Mahato, Prasenjit and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000309569200044, title = {Kernel morphometric traits in hexaploid wheat (Triticum aestivum L.) are modulated by intricate QTL x QTL and genotype x environment interactions}, journal = {Journal of Cereal Science}, volume = {56}, number = {2}, year = {2012}, month = {SEP}, pages = {432-439}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

Wheat kernel size and shape influence its flour yield and market price. A hexaploid wheat population of 185 recombinant inbred lines was evaluated for five kernel morphometric traits namely, 1000-kernel weight, kernel length, width, length width ratio and factor form density in two diverse agro-climatic regions in India in five to eight year location combinations. Additive main effects and multiplicative interaction analysis revealed significant contributions from genotype (G) and genotype x environment (G x E) effects for these traits. Quantitative trait locus (QTL) analysis by composite interval mapping (CIM) was performed using a linkage map of 251 SSR markers and 59 QTLs distributed on 16 chromosomes were identified. The majority of the QTLs were located on the D genome (44.07\%) and the homeologous chromosomes of Group 2 (38.98\%). Stable QTLs detected in three or more year location combinations were identified for four traits. Multi-trait CIM showed 10 chromosomal regions harboring putative pleiotropic loci. Complexity in the genetic effects was further revealed by QTL analysis based on mixed-linear model that indicated 19 QTLs with significant individual effects (main-effect QTLs) and 14 QTL x QTL interactions. Five of these - nineteen main-effect QTLs and one of the fourteen QTL x QTL interactions showed environmental influence. (c) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Epistatic QTLs, Genotype x environment interactions, Kernel size and shape, Stable QTLs}, issn = {0733-5210}, doi = {10.1016/j.jcs.2012.05.010}, author = {Prashant, Ramya and Kadoo, Narendra Y. and Desale, Charushila and Kore, Prajakta and Dhaliwal, Harcharan Singh and Chhuneja, Parveen and Gupta, Vidya} } @article {43378, title = {Kinetic modeling and optimization of operating parameters for transvinylation of lauric acid}, journal = {International Journal of Chemical Kinetics}, volume = {44}, year = {2012}, month = {SEP}, pages = {624-634}, abstract = {The transition metal complex catalyzed transvinylation of carboxylic acid with vinyl acetate monomer is of significant interest to industry. The palladium complex catalyzed transvinylation of lauric acid using vinyl acetate monomer is a reversible reaction. In present article, design of experiments (DOE) statistics is used to study effects of various operating parameters on transvinylation of lauric acid. The kinetic parameters forward and backward rate constants and the thermodynamic parameters such as equilibrium constant and energy of activation of the transvinylation of lauric acid were estimated using the Dynochem model. The optimum operating parameters for the transvinylation of lauric acid were then predicted using the Dynochem model and verified by performing the actual experiments to validate the model. It was found that the experimental results match with the predicted one. (c) 2012 Wiley Periodicals, Inc. Int J Chem Kinet 44: 624634, 2012}, doi = {10.1002/kin.20704}, author = {Kamble, Sanjay P. and Manjarekar, Onkar and Mawale, Ravi and Kulkarni, Bhaskar D. and Chowdary, Naresh and Gupte, Milind Y. and Barve, Prashant P.} } @article { ISI:000310940500009, title = {Laser synthesized super-hydrophobic conducting carbon with broccoli-type morphology as a counter-electrode for dye sensitized solar cells}, journal = {Nanoscale}, volume = {4}, number = {21}, year = {2012}, month = {NOV}, pages = {6730-6734}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A laser photochemical process is introduced to realize superhydrophobic conducting carbon coatings with broccoli-type hierarchical morphology for use as a metal-free counter electrode in a dye sensitized solar cell. The process involves pulsed excimer laser irradiation of a thin layer of liquid haloaromatic organic solvent o-dichlorobenzene (DCB). The coating reflects a carbon nanoparticle-self assembled and process-controlled morphology that yields solar to electric power conversion efficiency of 5.1\% as opposed to 6.2\% obtained with the conventional Pt-based electrode.

}, issn = {2040-3364}, doi = {10.1039/c2nr32082g}, author = {Gokhale, Rohan and Agarkar, Shruti A. and Debgupta, Joyashish and Shinde, Deodatta and Lefez, Benoit and Banerjee, Abhik and Jog, Jyoti Prakash and More, Mahendra A. and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article { ISI:000311111300007, title = {Lipase-mediated hydrolysis of flax seed oil for selective enrichment of alpha-linolenic acid}, journal = {European Journal of Lipid Science and Technology}, volume = {114}, number = {11}, year = {2012}, month = {NOV}, pages = {1246-1253}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Polyunsaturated fatty acids (PUFA) are important ingredients of human diet because of their prominent role in the function of human brain, eye and kidney. alpha-Linolenic acid (ALA), a C18, n-3 PUFA is a precursor of long chain PUFA in humans. Commercial lipases of Candida rugosa, Pseudomonas cepacea, Pseudomonas fluorescens, and Rhizomucor miehei were used for hydrolysis of flax seed oil. Reversed phase high performance liquid chromatography followed by gas chromatography showed that the purified oil contained 12 triacylglycerols (TAGs) with differences in fatty acid compositions. Flax seed oil TAGs contained alpha-linolenic acid (50\%) as a major fatty acid while palmitic, oleic, linoleic made up rest of the portion. Among the four commercial lipases C. rugosa has preference for ALA, and that ALA was enriched in free fatty acids. C. rugosa lipase mediated hydrolysis of the TAGs resulted in a fatty acid mixture that was enriched in alpha-linolenic to about 72\% yield that could be further enriched to 80\% yield by selective removal of saturated fatty acids by urea complexation. Such purified ALA can be used for preparation of ALA-enriched glycerides. Practical applications: This methodology allows purifying ALA from fatty acid mixture obtained from flax seed oil by urea complexation.

}, keywords = {a-Linolenic acid, Flax seed oil, Lipases, PUFA, Urea complexation}, issn = {1438-7697}, doi = {10.1002/ejlt.201100384}, author = {Rupani, Banin and Kodam, Kisan M. and Gadre, Ramchandra V. and Najafpour, Ghasem D.} } @article { ISI:000300458300075, title = {Low plasma albumin levels are associated with increased plasma protein glycation and HbA1c in diabetes}, journal = {Journal of Proteome Research}, volume = {11}, number = {2}, year = {2012}, month = {FEB}, pages = {1391-1396}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Albumin is one of the most abundant plasma proteins and is heavily glycated in diabetes. In this study, we have addressed whether variation in the albumin levels influence glycation of plasma proteins and HbA1c. The study was performed in three systems: (1) streptozotocin (STZ)-induced diabetic mice plasma, (2) diabetic clinical plasma, and (3) in vitro glycated plasma. Diabetic mice and clinical plasma samples were categorized as diabetic high albumin plasma (DHAP) and diabetic low albumin plasma (DLAP) on the basis of their albumin levels. For the in vitro experiment, two albumin levels, high albumin plasma (HAP) and low albumin plasma (LAP), were created by differential depletion of plasma albumin. Protein glycation was studied by using a combination of two-dimensional electrophoresis (2DE), Western blotting, and LC-MSE. In both mice and clinical experiments, an increased plasma protein glycation was observed in DLAP than in DHAP. Additionally, plasma albumin levels were negatively correlated with HbA1c. The in vitro experiment with differential depletion of albumin mechanistically showed that the low albumin levels are associated with increased plasma protein glycation and that albumin competes for glycation with other plasma proteins.

}, keywords = {advanced glycation end products (AGEs), Albumin, glucose, post translational modification}, issn = {1535-3893}, doi = {10.1021/pr201030m}, author = {Bhonsle, Hemangi S. and Korwar, Arvind M. and Kote, Sachin S. and Golegaonkar, Sandeep B. and Chougale, Ashok D. and Shaik, Mahemud L. and Dhande, Nitin L. and Giri, Ashok P. and Shelgikar, Kishore M. and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000313404400021, title = {Magnetic properties of nanocrystalline CoFe2O4 synthesized by thermal plasma in large scale}, journal = {Materials Chemistry and Physics}, volume = {137}, number = {2}, year = {2012}, month = {DEC}, pages = {586-595}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The paper reports the large scale synthesis of nanoparticles of CoFe2O4 using thermal plasma reactor by gas phase condensation method. The yield of formation was found to be around 15 g h(-1). The magnetic properties of CoFe2O4, synthesized at different reactor powers, were investigated in view of studying the effect of operating parameters of plasma reactor on the structural reorganization leading to the different cation distribution. The values of saturation magnetization, coercivity and remanent magnetization were found to be influenced by input power in thermal plasma. Although the increase in saturation magnetization was marginal (61 emu g(-1) to 70 emu g(-1)) with increasing plasma power; a significant increase in the coercivity (552 Oe to 849 Oe) and remanent magnetization (16 emu g(-1) to 26 emu g(-1)) were also noticed. The Mossbauer spectra showed mixed spinel structure and canted spin order for the as synthesized nanoparticles. The detailed analysis of cation distribution using the Mossbauer spectroscopy and X-ray photoelectron spectroscopy leads to the conclusion that the sample synthesized at an optimized power shows the different site selective states. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Magnetic materials, magnetic properties, Mossbauer spectroscopy, Nanostructures}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2012.10.007}, author = {Nawale, A. B. and Kanhe, Nilesh S. and Patil, K. R. and Reddy, V. R. and Gupta, A. and Kale, B. B. and Bhoraskar, S. V. and Mathe, Vikas L. and Das, A. K.} } @article { ISI:000302150700005, title = {Mapping of tms8 gene for temperature-sensitive genic male sterility (TGMS) in rice (Oryza sativa L.)}, journal = {Plant Breeding}, volume = {131}, number = {1}, year = {2012}, month = {FEB}, pages = {42-47}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Genetic analysis of F-2 and backcross populations of an induced temperature-sensitive genic male sterility (TGMS) mutant source F 61 with normal pollen parents revealed that TGMS trait was controlled by a single recessive gene. Molecular tagging of TGMS trait was attempted using polymorphic randomly amplified polymorphic DNA (RAPD) and simple sequence repeats (SSR) markers through bulked segregant analysis. The RAPD primers UBC 345830, UBC 313927, microsatellites RM224 and RM21 produced putative markers, which differentiate parents and bulks from sterile parent and sterile bulks. The RAPD analysis of individual F-2 plants with the primer UBC345(830) showed perfect marker-phenotype cosegregation. The 830-bp RAPD fragment, which segregated with TGMS locus at a distance of 1.33 cM, was eluted and cloned, and sequence information was used for designing sequence-characterized amplified region (SCAR) primer, which cosegregated with TGMS locus at a distance of 0.8 cM. TGMS locus was mapped onto chromosome 11 using RM21 and RM224, flanking it at a distance of 4.3 and 3.0 cM, respectively. The DNA markers tightly linked to TGMS gene (tms8) in F 61 can be cost effectively used for marker-assisted selection of TGMS trait.

}, keywords = {Bulked segregant analysis, randomly amplified polymorphic DNA, rice, sequence-characterized amplified region, SSR, temperature-sensitive genic male sterility}, issn = {0179-9541}, doi = {10.1111/j.1439-0523.2011.01897.x}, author = {Hussain, Appibhai J. and Ali, Jauhar and Siddiq, Ebrahimali A. and Gupta, Vidya S. and Reddy, Umesh K. and Ranjekar, Prabhakar K.} } @article {42821, title = {Mathematical model identifies conditions for {\textquoteright}unexpected{\textquoteright} increase in target protein levels due to miRNA regulation}, journal = { Mol. BioSyst.}, volume = {8}, year = {2012}, month = {MAR}, pages = {760-765}, type = {Article}, author = {Gokhale, S. and Gadgil, Chetan J.} } @article { ISI:000301406900010, title = {MCM-41 supported phosphotungstic acid for the hydroxyalkylation of phenol to phenolphthalein}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {10}, year = {2012}, month = {MAR}, pages = {3916-3922}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A novel application of phosphotungstic acid, H3PW12O40 (PWA) supported on MCM-41 molecular sieve as a solid acid catalyst has been demonstrated for the synthesis of phenolphthalein by hydroxyalkylation of phenol and phthalic anhydride. PWA/MCM-41 (20\%) showed the highest activity as compared to that of parent PWA and MCM-41 individually, due to the excellent dispersion of PWA on MCM-41 leading to the redistribution of Bronsted and Lewis acid sites on MCM-41. The effect of PWA loading on phthalic anhydride conversion and phenolphthalein selectivity was also studied. All these prepared catalysts were characterized by XRD, N-2 adsorption-desorption isotherm, pyridine-FTIR, and NH3-TPD. The effect of various reaction parameters, namely, mole ratios, catalyst concentration, temperature, reaction time, and percentage of PWA present in the catalysts on conversion and selectivity of products has been also investigated. The utility of 20\% PWA/MCM-41 catalyst was established by its efficient activity for hydroxyalkylation of phenol and p-cresol with formaldehyde to the corresponding dihydroxydiarylmethane products.

}, issn = {0888-5885}, doi = {10.1021/ie201989g}, author = {Jha, Ajay and Garade, Ajit C. and Mirajkar, Subhash P. and Rode, Chandrashekhar V.} } @article { ISI:000308361400011, title = {MgCl2 center dot 4((CH3)(2)CHCH2OH): a new molecular adduct for the preparation of TiClx/MgCl2 catalyst for olefin polymerization}, journal = {Dalton Transactions}, volume = {41}, number = {37}, year = {2012}, month = {JUL}, pages = {11311-11318}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new molecular adduct of MgCl2 with isobutanol, namely MgCl2 center dot 4((CH3)(2)CHCH2OH) (MgiBOH), has been prepared as a precursor to the supporting material for an olefin polymerization catalyst. The MgiBOH adduct and final titanated Ziegler-Natta catalysts have been thoroughly characterized by powder XRD, thermal analysis, Raman spectroscopy and solid-state NMR for structural and spectroscopy aspects. A peak observed at 712 cm(-1) in the Raman spectra of MgiBOH indicates the characteristic Mg-O-6 breathing mode and the formation of the adduct. The diffraction feature at 2 theta = 7.8 degrees (d = 11.223 angstrom) in the XRD confirms the adduct formation and the layered structure. The aim of the present article is to study how the insertion of a bulky isobutanol moiety affects the structural and electronic properties of the MgCl2 isobutanol molecular adduct. Indeed, the focus of the present study is to explore how the presence of isobutanol, in the initial molecular adduct, influences the final Z-N catalyst properties and its activity.

}, issn = {1477-9226}, doi = {10.1039/c2dt31211e}, author = {Thushara, K. S. and Gnanakumar, Edwin S. and Mathew, Renny and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Bhaduri, Sumit and Gopinath, Chinnakonda S.} } @article { ISI:000311190800033, title = {MgCl2 center dot 6C(6)H(11)OH: a high mileage porous support for ziegler-natta catalyst}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {45}, year = {2012}, month = {NOV}, pages = {24115-24122}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new and single phase molecular adduct of MgCl2 with six cyclohexanol molecules MgCl2 center dot 6C(6)H(11)OH (MgCyOH) has been synthesized. Structural insight to this adduct was obtained by a variety of physicochemical methods. C-13 CPMAS spectrum and single pulse MAS spectra with high power proton decoupling recorded at different relaxation time showed the presence of two different sets of magnetically unequal cylcohexanol molecules present around Mg2+. A Raman feature of MgCyOH at 712 cm(-1) confirms that cylcohexanol molecules are present around Mg2+ in an octahedral environment. MgCyOH has been used as support material to prepare Ziegler-Natta (Z-N) active catalyst. Textural property of above Z-N catalyst exhibits high surface area (236 m(2)/g) with high porosity. Above active catalyst has been screened for ethylene polymerization. Depending on the cocatalyst employed (Me3Al, Et3Al, and iso-Bu3Al) and ethylene pressure, polyethylene yield varies an order of magnitude, from 378 to 3570 g/g catalyst, indicating a possible creation of different active sites and different interaction between cocatalyst and catalyst.

}, issn = {1932-7447}, doi = {10.1021/jp3074078}, author = {Gnanakumar, Edwin S. and Thushara, K. S. and Gowda, Ravikumar R. and Raman, Sumesh K. and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Chakraborty, Debashis and Gopinath, Chinnakonda S.} } @article { ISI:000311204900021, title = {Microsatellite mapping identifies TTKST-effective stem rust resistance gene in wheat cultivars VL404 and Janz}, journal = {Molecular Breeding}, volume = {30}, number = {4}, year = {2012}, month = {DEC}, pages = {1757-1765}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Wheat cultivar VL404 carries seedling resistance to Puccinia graminis f. sp. tritici pathotype TTKST. Monogenic segregation for seedling resistance was observed in a VL404/WL711 recombinant inbred line population and the resistance locus was temporarily designated SrVL. Bulked segregant analysis using Diversity Arrays Technology markers located SrVL on chromosome 2BL. Detailed simple sequence repeat mapping placed SrVL between gwm120 and wmc175, both at genetic distances of 3.3 cM. Based on adult plant responses of Janz and VL404 in India and Kenya, we expected these cultivars to carry the same gene against TTKST. A subset of Diamondbird/Janz doubled haploid (DH) population showed monogenic segregation, when tested against TTKST and the locus was temporarily named SrJNZ. SrVL-linked markers gwm120 and wmc175 flanked SrJNZ at a similar genetic distance, thereby confirming our hypothesis. Chromosome 2BL carries Sr9, Sr16 and Sr28. Sr9 is a multi-allelic locus and all known alleles of Sr9 and Sr16 are ineffective against TTKSK and its derivatives. A recombination value of 16.7 cM between Sr9g-linked stripe rust resistance gene Yr7 and SrJNZ in Diamondbird/Janz DH population suggested that SrJNZ is not an allele at the Sr9 locus. Based on comparison of published genetic distances between Lr13, Sr9, Sr28 and Sr16 with that observed in this study, we concluded SrVL and SrJNZ to be Sr28. This gene was contributed by a common parent Gabo, which also exhibited resistance against TTKST. Sr28-linked markers gwm120 and wmc175 confirmed the presence of this gene in a high proportion of Australian cultivars that showed stem rust resistance in Kenya. These markers can be used for marker-assisted pyramiding of Sr28 with other stem rust resistance genes.

}, keywords = {Disease resistance, Markers, Stem rust, Ug99, Wheat}, issn = {1380-3743}, doi = {10.1007/s11032-012-9759-y}, author = {Bansal, Urmil K. and Rebecca S. Zwart and Bhavani, Sridhar and Wanyera, Ruth and Gupta, Vidya and Bariana, Harbans S.} } @article { ISI:000308099900044, title = {MOF derived porous carbon-Fe3O4 nanocomposite as a high performance, recyclable environmental superadsorbent}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {37}, year = {2012}, month = {JUN}, pages = {19694-19699}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A high surface area carbon composite with Fe3O4 nanoparticles is synthesized by pyrolysis of an iron containing Metal Organic Framework (MOF). The composite can be prepared by annealing the MOF at different temperatures (500 degrees C and 600 degrees C), each case exhibiting unique properties in terms of the hydrophobic behaviour and surface area, resulting in specific applicability domains. We highlight the exceptional behaviour of this material as a magnetically separable and recyclable superadsorbent for removal and recovery of environmental pollutants (oil/hydrocarbon and dye/phenol).

}, issn = {0959-9428}, doi = {10.1039/c2jm33798c}, author = {Banerjee, Abhik and Gokhale, Rohan and Bhatnagar, Sumit and Jog, Jyoti Prakash and Bhardwaj, Monika and Lefez, Benoit and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article { ISI:000300041700030, title = {Molecular oxygen-assisted oxidative dehydrogenation of ethylbenzene to styrene with nanocrystalline Ti1-xVxO2}, journal = {Green Chemistry}, volume = {14}, number = {2}, year = {2012}, month = {DEC}, pages = {461-471}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Oxidative dehydrogenation of ethylbenzene to styrene has been studied with vanadium-incorporated mesoporous nanocrystalline titania (Ti1-xVxO2) and molecular oxygen between 440 and 530 degrees C. Incorporation of V in TiO2 lattice framework has been achieved by simple solution combustion method. Incorporation of V in TiO2 lattice has been confirmed by X-ray diffraction, XPS and Raman spectra and other physicochemical analysis. High ethyl benzene conversion and stable styrene yield has been observed with 10\% V-containing rutile phase titania at 500 degrees C. However, stable but relatively lower styrene yield has been observed with 2 and 5\% V-containing catalysts between 440 and 500 degrees C. Highest selectivity is observed with lower vanadium content. Comparable activity has been observed under similar experimental conditions with four times higher air-flow than that of O-2. In order to understand the structure activity relationship, spent catalysts were analyzed by all physico-chemical methods. Although there is a phase change from anatase to rutile Ti1-xVxO2 within 1 h of reaction, higher activity is primarily attributed to the ionic V5+ in Ti1-xVxO2 lattice, which prevents agglomeration to V2O5. It is to be underscored the reactivity is retained at the cost of textural properties and phase change from anatase to rutile, which is essential for the reaction.

}, issn = {1463-9262}, doi = {10.1039/c1gc15907k}, author = {Sivaranjani, Kumarsrinivasan and Verma, Akrati and Gopinath, Chinnakonda S.} } @article { ISI:000310068800011, title = {Multifaceted folding in a foldamer featuring highly cooperative folds}, journal = {Chemical Communications}, volume = {48}, number = {91}, year = {2012}, month = {SEP}, pages = {11205-11207}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we report on the folding pattern observed in a synthetic peptide featuring two highly mutually dependent, yet strikingly dissimilar, closed networks of hydrogen-bonded rings that work in a cumulative fashion to stabilize the entire folded architecture of the peptide. Structural studies unequivocally suggest that disruption of any one of these mutually-dependent hydrogen-bonded networks is deleterious to the stability of the fully folded conformation of the peptide.

}, issn = {1359-7345}, doi = {10.1039/c2cc35649j}, author = {Ramesh, Veera V. E. and Priya, Gowri and Kotmale, Amol S. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000303696200040, title = {Multiple topologies from glycopolypeptide-dendron conjugate self-assembly: nanorods, micelles, and organogels}, journal = {Journal of the American Chemical Society}, volume = {134}, number = {18}, year = {2012}, month = {APR}, pages = {7796-7802}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Glycopolypeptides (GPs) were synthesized by ring-opening polymerization of glycosylated N-carboxyanhydride monomer and attached to hydrophobic dendrons at one chain end by {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} reaction to obtain amphiphilic anisotropic macromolecules. We show that by varying polypeptide chain length and dendron generation, an organogel was obtained in dimethylsulfoxide, while nanorods and micellar aggregates were observed in aqueous solutions. Assemblies in water were characterized by electron microscopy and dye encapsulation. Secondary structure of the GP chain was shown to affect the morphology, whereas the chain length of the poly(ethylene glycol) linker between the GP and dendron did not alter rod-like assemblies. Bioactive surface chemistry of these assemblies displaying carbohydrate groups was demonstrated by interaction of mannose-functionalized nanorods with ConA.

}, issn = {0002-7863}, doi = {10.1021/ja300065f}, author = {Pati, Debasis and Kalva, Nagendra and Das, Soumen and Kumaraswamy, Guruswamy and Sen Gupta, Sayam and Ambade, Ashootosh V.} } @article { ISI:000298662500033, title = {MYB8 Controls inducible phenolamide levels by activating three novel hydroxycinnamoyl-coenzyme a:polyamine transferases in nicotiana attenuata}, journal = {Plant Physiology}, volume = {158}, number = {1}, year = {2012}, month = {JAN}, pages = {389-407}, publisher = {AMER SOC PLANT BIOLOGISTS}, address = {15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA}, abstract = {

A large number of plants accumulate N-acylated polyamines (phenolamides [PAs]) in response to biotic and/or abiotic stress conditions. In the native tobacco (Nicotiana attenuata), the accumulation of two major PAs, caffeoylputrescine and dicaffeoylspermidine (DCS), after herbivore attack is known to be controlled by a key transcription factor, MYB8. Using a broadly targeted metabolomics approach, we show that a much larger spectrum of PAs composed of hydroxycinnamic acids and two polyamines, putrescine and spermidine, is regulated by this transcription factor. We cloned several novel MYB8-regulated genes, annotated as putative acyltransferases, and analyzed their function. One of the novel acyltransferases (AT1) is shown to encode a hydroxycinnamoyl-coenzyme A: putrescine acyltransferase responsible for caffeoylputrescine biosynthesis in tobacco. Another gene (acyltransferase DH29), specific for spermidine conjugation, mediates the initial acylation step in DCS formation. Although this enzyme was not able to perform the second acylation toward DCS biosynthesis, another acyltransferase gene, CV86, proposed to act on monoacylated spermidines, was isolated and partially characterized. The activation of MYB8 in response to herbivore attack and associated signals required the activity of LIPOXYGENASE3, a gene involved in jasmonic acid (JA) biosynthesis in N. attenuata. These new results allow us to reconstruct a complete branch in JA signaling that defends N. attenuata plants against herbivores: JA via MYB8{\textquoteright}s transcriptional control of AT1 and DH29 genes controls the entire branch of PA biosynthesis, which allows N. attenuata to mount a chemically diverse (and likely efficient) defense shield against herbivores.

}, issn = {0032-0889}, doi = {10.1104/pp.111.187229}, author = {Onkokesung, Nawaporn and Gaquerel, Emmanuel and Kotkar, Hemlata and Kaur, Harleen and Baldwin, Ian T. and Galis, Ivan} } @article { ISI:000300859000006, title = {Nanowires of silver-polyaniline nanocomposite synthesized via in situ polymerization and its novel functionality as an antibacterial agent}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {92}, year = {2012}, month = {APR}, pages = {35-41}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {antibacterial activity, Conducting poly(aniline), In situ polymerization, Nanocomposite}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2011.11.006}, author = {Tamboli, Mohaseen S. and Kulkarni, Milind V. and Patil, Rajendra H. and Gade, Wasudeo N. and Navale, Shalaka C. and Kale, Bharat B.} } @article {42496, title = {New chemodosimetric reagents as ratiometric probes for cysteine and homocysteine and possible detection in living cells and in blood plasma}, journal = {Chemistry a European Journal}, volume = {18}, year = {2012}, month = {NOV}, pages = {15382{\textendash}15393}, abstract = {

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

}, keywords = {charge transfer; chemodosimetric detection; cysteine/ homocysteine sensors; fluorescent probes; imaging agents; ratiometric probes}, doi = {10.1002/chem.201201621}, author = {Das, Priyadip and Mandal, Amal Kumar and Chandar, Nellore Bhanu and Baidya, Mithu and Bhatt, Harshad B. and Ganguly, Bishwajit and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000308628900033, title = {New synthetic route for 1,2-diketo compounds using unexpected C-C bond cleavage by PCC}, journal = {Tetrahedron Letters}, volume = {53}, number = {39}, year = {2012}, month = {SEP}, pages = {5327-5330}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {1, 2-Diketones, C-C bond cleavage, PCC}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.07.095}, author = {Bhosale, Shrikar M. and Momin, Aadil A. and Gawade, Rupesh L. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @conference {42775, title = {Non-isothermal kinetics of free-redical polymerization of 2-phenyl ethyl acrylate, paper presented at ?third international multicomponent polymer conference? impc 2012}, booktitle = {Third International Multicomponent Polymer Conference IMPC 2012, Kottayam, India.}, year = {2012}, month = {JAN}, address = {Kottayam, India.}, author = {Ghorpade, Ravindra V. and Rajdeo, K. S. and Ponrathnam S. and Chavan N. N.} } @article { ISI:000306651100077, title = {Novel anti-inflammatory activity of epoxyazadiradione against macrophage migration inhibitory factor inhibition of tautomerase and proinflammatory activities of macrophage migration inhibitory factor}, journal = {Journal of Biological Chemistry}, volume = {287}, number = {29}, year = {2012}, month = {JUL}, pages = {24844-24861}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

Macrophage migration inhibitory factor (MIF) is responsible for proinflammatory reactions in various infectious and noninfectious diseases. We have investigated the mechanism of anti-inflammatory activity of epoxyazadiradione, a limonoid purified from neem (Azadirachta indica) fruits, against MIF. Epoxyazadiradione inhibited the tautomerase activity of MIF of both human (huMIF) and malaria parasites (Plasmodium falciparum (PfMIF) and Plasmodium yoelii (PyMIF)) non-competitively in a reversible fashion (K-i, 2.11-5.23 mu M). Epoxyazadiradione also significantly inhibited MIF (huMIF, PyMIF, and PfMIF)-mediated proinflammatory activities in RAW 264.7 cells. It prevented MIF-induced macrophage chemotactic migration, NF-kappa B translocation to the nucleus, up-regulation of inducible nitric-oxide synthase, and nitric oxide production in RAW 264.7 cells. Epoxyazadiradione not only exhibited anti-inflammatory activity in vitro but also in vivo. We tested the anti-inflammatory activity of epoxyazadiradione in vivo after co-administering LPS and MIF in mice to mimic the disease state of sepsis or bacterial infection. Epoxyazadiradione prevented the release of proinflammatory cytokines such as IL-1 alpha, IL-1 beta, IL-6, and TNF-alpha when LPS and PyMIF were co-administered to BALB/c mice. The molecular basis of interaction of epoxyazadiradione with MIFs was explored with the help of computational chemistry tools and a biological knowledge base. Docking simulation indicated that the binding was highly specific and allosteric in nature. The well known MIF inhibitor (S, R)-3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazole acetic acid methyl ester (ISO-1) inhibited huMIF but not MIF of parasitic origin. In contrast, epoxyazadiradione inhibited both huMIF and plasmodial MIF, thus bearing an immense therapeutic potential against proinflammatory reactions induced by MIF of both malaria parasites and human.

}, issn = {0021-9258}, doi = {10.1074/jbc.M112.341321}, author = {Alam, Athar and Haldar, Saikat and Thulasiram, Hirekodathakallu V. and Kumar, Rahul and Goyal, Manish and Iqbal, Mohd Shameel and Pal, Chinmay and Dey, Sumanta and Bindu, Samik and Sarkar, Souvik and Pal, Uttam and Maiti, Nakul C. and Bandyopadhyay, Uday} } @article { ISI:000307814000728, title = {Novel mechanism involved in temporal regulation of skin pigmentation homeostasis}, journal = {Journal of Investigative Dermatology}, volume = {132}, number = {2}, year = {2012}, note = {42nd Annual Meeting of the European-Society-for-Dermatological-Research (ESDR), Venice, ITALY, SEP 07-10, 2012}, month = {SEP}, pages = {S128}, publisher = {European Soc Dermatol Res (ESDR)}, address = {75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA}, issn = {0022-202X}, author = {Ganju, Parul and Natarajan, V. T. and Singh, A. and Vijayan, V. and Dani, Prachi P. and Kar, H. K. and Natarajan, K. and Gadgil, Chetan J. and Rani, R. and Gokhale, R. S.} } @article {42707, title = {Novel ruthenium complexes and their uses in processes for formation and/or hydrogenation of esters, amides and derivatives thereof}, number = {US 14/702,641}, year = {2012}, month = {OCT}, chapter = {US20150284417 A1}, abstract = {

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

}, author = {Milstein, David and Balaraman, Ekambaram and Gunanathan, Chidambaram and Gnanaprakasam, Boopathy and Zhang, Jing} } @article {42644, title = {Novel solid cloisite tin catalyzed polymerization of L-lactide}, journal = {Journal of Chemistry and Chemical Engineering}, volume = {6}, year = {2012}, month = {JAN}, pages = { 54-60 }, abstract = {

A novel cloisite modified solid catalyst was prepared in a single step from commercially available starting materials for the first time. The ring opening polymerization of L-lactide and D-lactide using this cloisite modified solid catalyst resulted in homopolymers of 75,000 and PDI = 1.6 and the maximum molecular weight (Mw) i.e. 180,000 with PDI = 1.9 were obtained. The catalytic activity of cloisite modified solid catalyst was compared with the conventional stannous octoate catalyst and found superior to stannous octoate in all respect such as conversion, molecular weight and molecular weight distribution etc.. Moreover, the maximum molecular weight i.e. 180,000was obtained at 220 o C, whereas, transesterification reaction predominate in presence of stannous octoate. The linear structure was confirmed by quantitative 13C NMR Spectroscopy. Blend films were obtained by casting mixed solutions of poly (D-lactide) and poly (L lactide) at various compositions, and stereocomplex was formed at 50/50 composition with molecular weight of 75,000.

}, author = {Selukar, Balaji Sidram and Pandey, Asutosh Kumar and Nande, Smita Sunil and Bansode, Avinash Santram and Garnaik, Baijayantimala} } @article { ISI:000303442500016, title = {One pot glucose detection by [Fe-III(biuret-amide)] immobilized on mesoporous silica nanoparticles: an efficient HRP mimic}, journal = {Chemical Communications}, volume = {48}, number = {43}, year = {2012}, month = {APR}, pages = {5289-5291}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An [Fe-III(biuret-amide)] complex has been immobilized onto mesoporous silica nanoparticles via Cu(I) catalyzed azide-alkyne click chemistry. This hybrid material functions as an efficient peroxidase mimic and was successfully used for the quantitative determination of hydrogen peroxide and glucose via a one-pot colorimetric assay.

}, issn = {1359-7345}, doi = {10.1039/c2cc30970j}, author = {Malvi, Bharmana and Panda, Chakadola and Dhar, Basab B. and Sen Gupta, Sayam} } @article { ISI:000311698800036, title = {One-pot sol-gel preparation for efficient cobalt-molybdenum-titania hydrotreating catalysts}, journal = {Chemcatchem}, volume = {4}, number = {12}, year = {2012}, month = {DEC}, pages = {2112-2120}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Titania-based hydrodesulfurization catalysts were prepared by using a one-pot solgel method with the titanium peroxo complex as titanium precursor and molybdenum and cobalt precursors dissolved in the aqueous hydrogen peroxide solution used during synthesis. Catalysts with MoO3 loadings varying from 5 to 40 wt?\% and a Co/Mo atomic ratio of 0.5 were prepared. Solids with molybdenum loadings below 20 wt?\% MoO3 demonstrated poor hydrodesulfurization activity for the model compound thiophene. This was attributed to the presence of a large amount of embedded cobalt and molybdenum species in the titania matrix. A significant increase in the catalytic activity was observed for solids containing 20 and 25 wt?\% of MoO3 on which active species appeared to be accessible on the titania surface. Furthermore, the highest conversion obtained on these solgel solids was superior to the highest conversion obtained on reference catalysts prepared through the impregnation of ammonium heptamolybdate and cobalt nitrate on commercial titania.

}, keywords = {cobalt, heterogeneous catalysis, Molybdenum, sol-gel process, titanium}, issn = {1867-3880}, doi = {10.1002/cctc.201200165}, author = {Nguyen, D. L. and Gillot, S. and Souza, D. O. and Blanchard, P. and Lamonier, Carole and Berrier, E. and Kotbagi, T. V. and Dongare, Mohan K. and Shubhangi B. Umbarkar and Cristol, S. and Payen, E. and Lancelot, Christine} } @article { ISI:000300047600017, title = {Organocatalytic stereoselective synthesis of passifloricin A}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {9}, year = {2012}, month = {DEC}, pages = {1820-1825}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The enantioselective synthesis of passifloricin A has been achieved in high diastereomeric excess. The 1,3-polyol moiety was constructed by iterative proline-catalyzed sequential alpha-aminoxylation and Horner-Wadsworth-Emmons (HWE) olefination of aldehydes while the synthesis of lactone moiety was achieved by ring-closing metathesis (RCM).

}, issn = {1477-0520}, doi = {10.1039/c2ob06711k}, author = {Kumar, Pradeep and Pandey, Menaka and Gupta, Priti and Dhavale, Dilip D.} } @article { ISI:000305534600005, title = {Photocatalytic degradation of phosphamidon using Ag-doped ZnO nanorods}, journal = {Toxicological and Environmental Chemistry}, volume = {94}, number = {6}, year = {2012}, month = {JAN}, pages = {1075-1085}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The photocatalytic degradation of the organo-phosphorous pesticide phosphamidon at low concentration in aqueous solution on Ag-doped ZnO nanorods was investigated. Nanosized Ag-doped ZnO rods were synthesized by using a microwave assisted aqueous method. High molecular weight polyvinyl alcohol was used as a stabilizing agent. Composition and structure were investigated using energy-dispersive X-ray spectroscopy (EDAX) and X-ray diffraction (XRD). The XRD pattern reveals that ZnO nanorods are of hexagonal wurtzite structure. The average crystallite size calculated from Scherrer{\textquoteright}s relation was found to be 30 nm. The effects of catalyst loading, pH value, and initial concentration of phosphamidon on the photocatalytic degradation efficiency using Ag-doped ZnO nanorods as a photocatalyst have been discussed. The results revealed that Ag-doped ZnO nanorods with a diameter of 30 nm showed highest photocatalytic activity at a surface density of 1 g dm(-3). The catalyst doped with 0.2 mol\% Ag is effective for the degradation of phosphamidon with visible light. This opens a new possibility to decompose pesticides that are present in wastewater.

}, keywords = {Ag-doped zinc oxide, phosphamidon, Photocatalysis, Photodegradation}, issn = {0277-2248}, doi = {10.1080/02772248.2012.693495}, author = {Korake, Prakash V. and Sridharkrishna, R. and Hankare, P. P. and Garadkar, K. M.} } @article { ISI:000300929600025, title = {Photopolymerization kinetics of 2-phenylethyl (meth) acrylates studied by photo DSC}, journal = {Journal of Polymer Research}, volume = {19}, number = {2}, year = {2012}, month = {JAN}, pages = {9811}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The present work deals with the photopolymerization of 2-phenylethyl (meth)acrylates and estimation of their kinetic parameters. Formulations were made by independently homogenizing the monomers with photoinitiators of two different classes. Two different compositions of photoinitiators were used to study the effect of concentration of photoinitiator on cure kinetics. These compositions obtained were tested for photo curing performance using differential photocalorimetry (DPC) or photo DSC under polychromatic radiation. The heat flow against time was recorded for all formulations under isothermal conditions and the rates of polymerization as well as the percentage conversions were estimated. It was observed that due to a longer timescale for reaction diffusion, the methacrylate formulations showed a higher conversion than acrylate formulations. Other parameters such as induction time, maximum rate and conversion attained as well as the time to attain peak maximum were noted. The photopolymerization and kinetic estimations of the formulations including evaluation of kinetic models are discussed.

}, keywords = {Bimolecular termination model, Photo DSC, Photopolymerization, Variable autocatalytic model}, issn = {1022-9760}, doi = {10.1007/s10965-011-9811-3}, author = {Ghorpade, Ravindra V. and Bhosle, Sonali Madhavrao and Ponrathnam, S. and Rajan, C. R. and Chavan, Nayaku and Harikrishna, Reghunathan} } @article {42516, title = {Photosensitization of nanoparticulate TiO2 using a Re(I)-polypyridyl complex: studies on interfacial electron transfer in the ultrafast time domain}, journal = {Physical Chemistry Chemical Physics}, volume = {14}, year = {2012}, month = {APR}, pages = {8192-8198}, abstract = {

We have synthesized a new photoactive rhenium(I)-complex having a pendant catechol functionality [Re(CO)3Cl(L)] (1) (L is 4-[2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl]benzene-1,2-diol) for studying the dynamics of the interfacial electron transfer between nanoparticulate TiO2 and the photoexcited states of this Re(I)-complex using femtosecond transient absorption spectroscopy. Our steady state absorption studies revealed that complex 1 can bind strongly to TiO2 surfaces through the catechol functionality with the formation of a charge transfer (CT) complex, which has been confirmed by the appearance of a new red-shifted CT band. The longer wavelength absorption band for 1, bound to TiO2 through the proposed catecholate functionality, could also be explained based on the DFT calculations. Dynamics of the interfacial electron transfer between 1 and TiO2 nanoparticles was investigated by studying kinetics at various wavelengths in the visible and near infrared regions. Electron injection into the conduction band of the nanoparticulate TiO2 was confirmed by detection of the conduction band electron in TiO2 (Image ID:c2cp24105f-t1.gif) and the cation radical of the adsorbed dye (1˙+) in real time as monitored by transient absorption spectroscopy. A single exponential and pulse-width limited (\<100 fs) electron injection was observed. Back electron transfer dynamics was determined by monitoring the decay kinetics of 1˙+ and Image ID:c2cp24105f-t2.gif.

}, doi = {10.1039/C2CP24105F}, author = {Kar, Prasenjit and Banerjee, Tanmay and Verma, Sandeep and Sen, Anik and Das, Amitava and Ganguly, Bishwajit and Ghosh, Hirendra N.} } @article { ISI:000311783800011, title = {Phyllocladane diterpenes from anisomeles heyneana}, journal = {Journal of Asian Natural Products Research}, volume = {14}, number = {12}, year = {2012}, month = {NOV}, pages = {1162-1168}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

New phyllocladane diterpene, phyllocladan-16 alpha,17-dihydroxy-19-oic acid (1), together with known phyllocladane diterpene, phyllocladan-16 alpha,19-diol (2), cembrane diterpene ovatodiolide (3), sitosteryl-3-O-beta-D-glucoside (4), and verbascoside (5), were isolated from aerial parts of Anisomeles heyneana. The structure of compound 1 was elucidated by 1D and 2D NMR analyses which included HSQC, HMBC, and nuclear overhauser effect spectroscopy (NOESY) experiments as well as X-ray crystallography. This is the first report of phyllocladane diterpenes from genus Anisomeles. Compounds 1, 3, 4, and 5 were evaluated for inhibition of Mycobacterium tuberculosis and 3 was found to exhibit anti-mycobacterial activity with IC90 6.53 mu g/ml. Compounds 1, 3, and 5, at 100 mu g/ml, were also evaluated for inhibition of Thp-1 cell lines, and compounds 1 and 3 showed 59.02\% and 96.4\% inhibitions, respectively.

}, keywords = {Anisomeles heyneana, Lamiaceae, Mycobacterium tuberculosis, phyllocladane diterpenes}, issn = {1028-6020}, doi = {10.1080/10286020.2012.738672}, author = {Kulkarni, Roshan R. and Shurpali, Ketaki and Gawade, Rupesh L. and Sarkar, Dhiman and Puranik, Vedavati G. and Joshi, Swati P.} } @article { ISI:000307184100001, title = {Phylogenomic analysis of UDP glycosyltransferase 1 multigene family in Linum usitatissimum identified genes with varied expression patterns}, journal = {BMC Genomics}, volume = {13}, year = {2012}, month = {MAY}, pages = {175}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: The glycosylation process, catalyzed by ubiquitous glycosyltransferase (GT) family enzymes, is a prevalent modification of plant secondary metabolites that regulates various functions such as hormone homeostasis, detoxification of xenobiotics and biosynthesis and storage of secondary metabolites. Flax (Linum usitatissimum L.) is a commercially grown oilseed crop, important because of its essential fatty acids and health promoting lignans. Identification and characterization of UDP glycosyltransferase (UGT) genes from flax could provide valuable basic information about this important gene family and help to explain the seed specific glycosylated metabolite accumulation and other processes in plants. Plant genome sequencing projects are useful to discover complexity within this gene family and also pave way for the development of functional genomics approaches. Results: Taking advantage of the newly assembled draft genome sequence of flax, we identified 137 UDP glycosyltransferase (UGT) genes from flax using a conserved signature motif. Phylogenetic analysis of these protein sequences clustered them into 14 major groups (A-N). Expression patterns of these genes were investigated using publicly available expressed sequence tag (EST), microarray data and reverse transcription quantitative real time PCR (RT-qPCR). Seventy-three per cent of these genes (100 out of 137) showed expression evidence in 15 tissues examined and indicated varied expression profiles. The RT-qPCR results of 10 selected genes were also coherent with the digital expression analysis. Interestingly, five duplicated UGT genes were identified, which showed differential expression in various tissues. Of the seven intron loss/gain positions detected, two intron positions were conserved among most of the UGTs, although a clear relationship about the evolution of these genes could not be established. Comparison of the flax UGTs with orthologs from four other sequenced dicot genomes indicated that seven UGTs were flax diverged. Conclusions: Flax has a large number of UGT genes including few flax diverged ones. Phylogenetic analysis and expression profiles of these genes identified tissue and condition specific repertoire of UGT genes from this crop. This study would facilitate precise selection of candidate genes and their further characterization of substrate specificities and in planta functions.

}, issn = {1471-2164}, doi = {10.1186/1471-2164-13-175}, author = {Barvkar, Vitthal T. and Pardeshi, Varsha C. and Kale, Sandip M. and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article { ISI:000303366000001, title = {Polymorphs, salts, and cocrystals: what{\textquoteright}s in a name?}, journal = {Crystal Growth \& Design}, volume = {12}, number = {5}, year = {2012}, month = {MAY}, pages = {2147-2152}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The December 2011 release of a draft United States Food and Drug Administration (FDA) guidance concerning regulatory classification of pharmaceutical cocrystals of active pharmaceutical ingredients (APIs) addressed two matters of topical interest to the crystal engineering and pharmaceutical science communities: (1) a proposed definition of cocrystals; (2) a proposed classification of pharmaceutical cocrystals as dissociable {\textquoteleft}{\textquoteleft}API-excipient{\textquoteright}{\textquoteright} molecular complexes. The Indo U.S. Bilateral Meeting sponsored by the Indo-U.S. Science and Technology Forum titled The Evolving Role of Solid State Chemistry in Pharmaceutical Science was held in Manesar near Delhi, India, from February 2-4, 2012. A session of the meeting was devoted to discussion of the FDA guidance draft. The debate generated strong consensus on the need to define cocrystals more broadly and to classify them like salts. It was also concluded that the diversity of API crystal forms makes it difficult to classify solid forms into three categories that are mutually exclusive. This perspective summarizes the discussion in the Indo-U.S. Bilateral Meeting and includes contributions from researchers who were not participants in the meeting.

}, issn = {1528-7483}, doi = {10.1021/cg3002948}, author = {Aitipamula, Srinivasulu and Banerjee, Rahul and Bansal, Arvind K. and Biradha, Kumar and Cheney, Miranda L. and Choudhury, Angshuman Roy and Desiraju, Gautam R. and Dikundwar, Amol G. and Dubey, Ritesh and Duggirala, Nagakiran and Ghogale, Preetam P. and Ghosh, Soumyajit and Goswami, Pramod Kumar and Goud, N. Rajesh and Jetti, Ram R. K. R. and Karpinski, Piotr and Kaushik, Poonam and Kumar, Dinesh and Kumar, Vineet and Moulton, Brian and Mukherjee, Arijit and Mukherjee, Gargi and Myerson, Allan S. and Puri, Vibha and Ramanan, Arunachalam and Rajamannar, T. and Reddy, C. Malla and Rodriguez-Hornedo, Nair and Rogers, Robin D. and Row, T. N. Guru and Sanphui, Palash and Shan, Ning and Shete, Ganesh and Singh, Amit and Sun, Changquan C. and Swift, Jennifer A. and Thaimattam, Ram and Thakur, Tejender S. and Thaper, Rajesh Kumar and Thomas, Sajesh P. and Tothadi, Srinu and Vangala, Venu R. and Variankaval, Narayan and Vishweshwar, Peddy and Weyna, David R. and Zaworotko, Michael J.} } @article { ISI:000306942300059, title = {Polymorphs, salts and cocrystals: what{\textquoteright}s in a name? (vol 12, pg 2147, 2012)}, journal = {Crystal Growth \& Design}, volume = {12}, number = {8}, year = {2012}, month = {AUG}, pages = {4290-4291}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {1528-7483}, doi = {10.1021/cg300704b}, author = {Aitipamula, Srinivasulu and Banerjee, Rahul and Bansal, Arvind K. and Biradha, Kumar and Cheney, Miranda L. and Choudhury, Angshuman Roy and Desiraju, Gautam R. and Dikundwar, Amol G. and Dubey, Ritesh and Duggirala, Nagakiran and Ghogale, Preetam P. and Ghosh, Soumyajit and Goswami, Pramod Kumar and Goud, N. Rajesh and Jetti, Ram R. K. R. and Karpinski, Piotr and Kaushik, Poonam and Kumar, Dinesh and Kumar, Vineet and Moulton, Brian and Mukherjee, Arijit and Mukherjee, Gargi and Myerson, Allan S. and Puri, Vibha and Ramanan, Arunachalam and Rajamannar, T. and Reddy, C. Malla and Rodriguez-Hornedo, Nair and Rogers, Robin D. and Row, T. N. Guru and Sanphui, Palash and Shan, Ning and Shete, Ganesh and Singh, Amit and Sun, Changquan C. and Swift, Jennifer A. and Thaimattam, Ram and Thakur, Tejender S. and Thaper, Rajesh Kumar and Thomas, Sajesh P. and Tothadi, Srinu and Vangala, Venu R. and Vishweshwar, Peddy and Weyna, David R. and Zaworotko, Michael J.} } @article { ISI:000311522500055, title = {Porous ZnO nanorod for targeted delivery of doxorubicin: in vitro and in vivo response for therapeutic applications}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {45}, year = {2012}, month = {DEC}, pages = {24145-24154}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Cancer cell specific targeted delivery (TDD) by porous nanocarrier is on a high role. Here in a simple route for the synthesis of porous ZnO nanorods (ZnO) has been demonstrated. ZnO expressed very high surface area of 305.14 m(2) g(-1) (S-BET) and uniformly distributed pores of 5 nm. In continuation ZnO has been fabricated with 3-aminophosphonic acid followed by folic acid to yield folate conjugated porous ZnO nanorod (ZnO-FA). High surface area, uniformly distributed pores on its surface make the nanocarrier suitable for high drug loading (88\%) of the anticancer drug doxorubicin (DOX). A pH triggered drug release was observed with minimum release in pathophysical conditions. In vitro efficacy of DOX loaded ZnO-FA (ZnO-FA-DOX) has been evaluated against breast cancer cells MDA-MB-231, which is not possible alone by DOX or ZnO-FA. Targeted scaffold with pendant -NH2 group has been covalently bonded with fluorescent dye (RITC) for cellular uptake and imaging studies in MDA-MB-231 cells; the possible pathway for cancer regression has also been evaluated. Even in vivo acute and intravenous toxicological evaluation on murine model system complemented biocompatibility of ZnO-FA in TDD. All together we have collaged a template free synthesis of porous ZnO nanorod, successful targeting on to cancer cells, high drug loading, pH triggered drug release, in vitro efficacy of ZnO-FA-DOX against MDA-MB-231 cells and in vivo compatibility as well. We envisioned the future prospect of porous ZnO nanostructures in TDD.

}, issn = {0959-9428}, doi = {10.1039/c2jm35013k}, author = {Mitra, Shouvik and Subia, B. and Patra, Prasun and Chandra, Sourov and Debnath, Nitai and Das, Sumistha and Banerjee, Rahul and Kundu, Subhas C. and Pramanik, Panchanan and Goswami, Arunava} } @article { ISI:000314801600002, title = {Preparation and characterization of calcium silicate for CO2 sorption}, journal = {Adsorption Science \& Technology}, volume = {30}, number = {10}, year = {2012}, month = {DEC}, pages = {817-830}, publisher = {MULTI-SCIENCE PUBL CO LTD}, address = {5 WATES WAY, BRENTWOOD CM15 9TB, ESSEX, ENGLAND}, abstract = {

An attempt has been made to develop different samples of calcium silicate and to screen these samples for CO2 sorption and alkalinity in order to achieve maximum CO2 sorption. The CO2 sorption capacity of these samples was examined at different temperatures. Various methods such as solid-solid fusion, sol-gel, molten salt and templates (CTAB, cetyltrimethylammonium bromide or Aliquat 336, tricaprylmethylammonium chloride) were used to prepare the calcium silicate samples. The solid mass of calcium silicate samples were obtained by calcining the solid product obtained in an atmosphere of air or helium at 900 degrees C for 3 hours. The calcium silicate samples were characterized for surface area, alkalinity, scanning electron microscopic images and X-ray diffraction patterns. The temperature profile of CO2 sorption by calcium silicate was studied in the temperature range of 40-850 degrees C. Our results showed that the alkalinity and surface area of calcium silicate were in the range from 2.35 to 20 mmol g(-1) and 1.4 to 10 m(2) g(-1), respectively. The sorption of CO2 at 500 degrees C over calcium silicate for the different Ca/Si mol ratio (range: 1-6) was found to be in the range from 3.12 to 29.96 wt\%. Addition of a promoter such as sodium, potassium, caesium and lanthanum was found to enhance the sorption of CO2 by calcium silicate. Several samples of different mol ratios of Ca/Si prepared by different methods were tested for the sorption of CO2 at 500 degrees C.

}, issn = {0263-6174}, doi = {10.1260/0263-6174.30.10.817}, author = {Kale, Kishor B. and Raskar, Reshma Y. and Rane, Vilash H. and Gaikwad, Abaji G.} } @article { ISI:000300036000006, title = {Preparation of cross-linked enzyme aggregates of L-aminoacylase via co-aggregation with polyethyleneimine}, journal = {Journal of Molecular Catalysis B-Enzymatic}, volume = {74}, number = {3-4}, year = {2012}, month = {FEB}, pages = {184-191}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

L-Aminoacylase from Aspergillus melleus was co-aggregated with polyethyleneimine and subsequently cross-linked with glutaraldehyde to obtain aminoacylase-polyethyleneimine cross-linked enzyme aggregates (termed as AP-CLEA). Under the optimum conditions, AP-CLEA expressed 74.9\% activity recovery and 81.2\% aggregation yield. The said method of co-aggregation and cross-linking significantly improved the catalytic stability of L-aminoacylase with respect to temperature and storage. AP-CLEA were employed for enantioselective synthesis of three unnatural amino acids (namely: phenylglycine, homophenylalanine and 2-naphthylalanine) via chiral resolution of their ester-. amide- and N-acetyl derivatives. The enantioselectivity of AP-CLEA was the highest for hydrolysis of amino acid amides; was moderate for hydrolysis of N-acetyl amino acids and was the least for hydrolysis of amino acid esters. Furthermore, AP-CLEA were found to retain more than 92\% of the initial activity after five consecutive batches of (RS)-homophenylalanine hydrolysis suggesting an adequate operational stability of the biocatalyst. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {chiral resolution, Cross-linked enzyme aggregates, L-Aminoacylase, Polyethyleneimine, Unnatural amino acids}, issn = {1381-1177}, doi = {10.1016/j.molcatb.2011.10.003}, author = {Vaidya, Bhalchandra K. and Kuwar, Suyog S. and Golegaonkar, Sandeep B. and Nene, Sanjay N.} } @article { ISI:000300467100007, title = {Preparation of pure methyl esters from corresponding alkali metal salts of carboxylic acids using carbon dioxide and methanol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {4}, year = {2012}, month = {FEB}, pages = {1498-1505}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In the present article, for the first time, we report the synthesis of alkyl esters by direct esterification of alkali metal salts of carboxylic acids using carbon dioxide and alcohol. Methyl acetate, methyl benzoate, methyl salicylate, and methyl lactate have been synthesized by esterification of sodium acetate, sodium benzoate, sodium salicylate, and calcium lactate, respectively. The esterification reaction was carried out in a batch as well as in a semicontinuous mode of operation. A detailed study on the esterification of calcium lactate using methanol and carbon dioxide was carried out to record the effects of various operating parameters (like CO2 pressure, reaction temperature, moisture content in the calcium lactate, and initial concentrations of calcium lactate) on the esterification reaction. This synthesis route produces highly pure methyl lactate by direct esterification of calcium lactate with calcium carbonate as byproduct. The byproduct calcium carbonate was characterized for its crystallinity, surface area, and pore volume. The process route has the advantage that the synthesized byproduct can be recycled into the fermenter to make corresponding alkali metal lactate or the finely precipitated calcium carbonate can be used for various other applications. Thus, the recovery and recycle of alkali metal is possible providing a pollution free process for synthesis of pure methyl lactate.

}, issn = {0888-5885}, doi = {10.1021/ie200632v}, author = {Barve, Prashant P. and Kamble, Sanjay P. and Joshi, Jyeshtharaj B. and Gupte, Milind Y. and Kulkarni, Bhaskar D.} } @article { ISI:000306585900004, title = {Production, purification, and characterization of a beta-glucosidase of penicillium funiculosum NCL1}, journal = {Applied Biochemistry and Biotechnology}, volume = {167}, number = {5}, year = {2012}, month = {JUL}, pages = {959-972}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

Penicillium funiculosum NCL1, a filamentous fungus, produced significantly higher levels of beta-glucosidase. The effect of initial pH, incubation temperature, and different carbon sources on extracellular beta-glucosidase production was studied in submerged fermentation. At 30 A degrees C with initial pH 5.0, enzyme production was increased by 48-fold upon induction with paper mill waste, as compared to commercial cellulose powder. In zymogram analysis, four isoforms of beta-glucosidases were observed with wheat bran whereas a minimum of one isoform was observed with other carbon sources. A major beta-glucosidase (Bgl3A) with the apparent molecular weight of similar to 120 kDa, induced by paper mill waste, was purified 19-fold to homogeneity, with a specific activity of 1,796 U/mg. Bgl3A was a monomeric glycoprotein with 29\% of neutral carbohydrate content. It showed optimum activity at pH 4.0 and 5.0, optimum temperature at 60 A degrees C, and exhibited a half-life of 1 h at 60 A degrees C. K (m) of Bgl3A was found to be 0.057 mM with p-nitrophenyl beta-d-glucoside and V (max) was 1,920 U/mg. The purified enzyme exhibited glucose tolerance with a K (i) of 1.5 mM. Bgl3A readily hydrolyzed glucosides with beta-linkage. Bgl3A activity was enhanced (156\%) by Zn2+ and was not affected by other metal cations and reagents. The supplementation of Bgl3A (5 U/mg) with Trichoderma reesei cellulase complex (5 FPU/mg) resulted in about 70\% of enhanced glucose production, which emphasizes the industrial importance of Bgl3A.

}, keywords = {beta-Glucosidase, Paper mill waste, Penicillium funiculosum NCL1, Purification, Thermostability}, issn = {0273-2289}, doi = {10.1007/s12010-012-9645-4}, author = {Ramani, Gurusamy and Meera, Balasubramanian and Vanitha, Chinnathambi and Rao, Mala and Gunasekaran, Paramasamy} } @article { ISI:000311925900060, title = {Proteome profiling of flax (linum usitatissimum) seed: characterization of functional metabolic pathways operating during seed development}, journal = {Journal of Proteome Research}, volume = {11}, number = {12}, year = {2012}, month = {DEC}, pages = {6264-6276}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Flax (Linum usitatissimum L.) seeds are an important source of food and feed due to the presence of various health promoting compounds, making it a nutritionally and economically important plant. An in-depth analysis of the proteome of developing flax seed is expected to provide significant information with respect to the regulation and accumulation of such storage compounds. Therefore, a proteomic analysis of seven seed developmental stages (4, 8, 12, 16, 22, 30, and 48 days after anthesis) in a flax variety, NL-97 was carried out using a combination of ID-SDS-PAGE and LC-MSE methods. A total 1716 proteins were identified and their functional annotation revealed that a majority of them were involved in primary metabolism, protein destination, storage and energy. Three carbon assimilatory pathways appeared to operate in flax seeds. Reverse transcription quantitative PCR of selected 19 genes was carried out to understand their roles during seed development. Besides storage proteins, methionine synthase, RuBisCO and S-adenosylmethionine synthetase were highly expressed transcripts, highlighting their importance in flax seed development. Further, the identified proteins were mapped onto developmental seed specific expressed sequence tag (EST) libraries of flax to obtain transcriptional evidence and 81\% of them had detectable expression at the mRNA level. This study provides new insights into the complex seed developmental processes operating in flax.

}, keywords = {alpha-linolenic acid, carbon flux, Digital expression analysis, flax seed development, MSE, secoisolariciresinol diglucoside}, issn = {1535-3893}, doi = {10.1021/pr300984r}, author = {Barvkar, Vitthal T. and Pardeshi, Varsha C. and Kale, Sandip M. and Kadoo, Narendra Y. and Giri, Ashok P. and Gupta, Vidya S.} } @article { ISI:000298860100004, title = {Proteomic analysis of glycated proteins from streptozotocin-induced diabetic rat kidney}, journal = {Molecular Biotechnology}, volume = {50}, number = {1}, year = {2012}, month = {JAN}, pages = {28-38}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

Glycation of proteins leading to formation of advanced glycation end products (AGEs) has been considered as one of the important causes of diabetic nephropathy. Therefore, in this study, glycated proteins were detected by anti-AGE antibodies from kidney of streptozotocin-induced diabetic rat showing nephropathic symptoms, by using two dimensional electrophoresis and western blot analysis. These glycated proteins were identified and characterized by using combination of peptide mass finger printing and tandem mass spectrometric approaches. Glycated proteins identified included proteins from metabolic pathways, oxidative stress, cell signaling, and transport. Several of the proteins modified by glycation were involved in glucose metabolism. The extent of glycation was higher in diabetes compared to control, in the glycated proteins that were common to both control and diabetic kidney. Two dimensional electrophoresis proteins profiling of glycated proteins suggest that four of the glycated proteins were significantly up regulated in diabetes.

}, keywords = {AGE, Diabetes, Glucose toxicity, Nephropathy, Post-translation modification}, issn = {1073-6085}, doi = {10.1007/s12033-011-9409-3}, author = {Chougale, Ashok D. and Bhat, Shweta P. and Bhujbal, Swapnil V. and Zambare, Mandar R. and Puntambekar, Shraddha and Somani, Rahul S. and Boppana, Ramanamurthy and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article { ISI:000300202400005, title = {Purification and characterization of YxeI, a penicillin acylase from Bacillus subtilis}, journal = {International Journal of Biological Macromolecules}, volume = {50}, number = {1}, year = {2012}, month = {JAN}, pages = {25-30}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The paper reports the purification and characterization of the first penicillin acylase from Bacillus subtilis. YxeI, the protein annotated as hypothetical, coded by the gene yxeI in the open reading frame between iol and hut operons in B. subtilis was cloned and expressed in Eshcherichia coli, purified and characterized. The purified protein showed measurable penicillin acylase activity with penicillin V. The enzyme was a homotetramer of 148 kDa. The apparent Km of the enzyme for penicillin V and the synthetic substrate 2-nitro-5-(phenoxyacetamido)-benzoic acid was 40 mM and 0.63 mM, respectively, and the association constants were 8.93 x 10(2) M-1 and 2.51 x 10(5) M-1, respectively. It was inhibited by cephalosporins and conjugated bile salts, substrates of the closely related bile acid hydrolases. It had good sequence homology with other penicillin V acylases and conjugated bile acid hydrolases, members of the Ntn hydrolase family. The N-terminal nucleophile was a cysteine which is revealed by a simple removal of N-formyl-methionine. The activity of the protein was affected by high temperature, acidic pH and the presence of the denaturant guanidine hydrochloride. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Bacillus subtilis, Conjugated bile acid hydrolases, Ntn hydrolase, Penicillin acylase}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2011.09.018}, author = {Rathinaswamy, Priya and Gaikwad, Sushama M. and Suresh, C. G. and Prabhune, Asmita and Brannigan, James A. and Dodson, Guy G. and Pundle, Archana V.} } @article { ISI:000302639600011, title = {Quantum dot bio-conjugate: as a western blot probe for highly sensitive detection of cellular proteins}, journal = {Journal of Nanoparticle Research}, volume = {14}, number = {3}, year = {2012}, month = {MAR}, pages = {732}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

In the present study, we report a quantum dot (QD)-tailored western blot analysis for a sensitive, rapid and flexible detection of the nuclear and cytoplasmic proteins. Highly luminescent CdTe and (CdTe) ZnS QDs are synthesized by aqueous method. High resolution transmission electron microscopy, Raman spectroscopy, fourier transform infrared spectroscopy, fluorescence spectroscopy and X-ray diffraction are used to characterize the properties of the quantum dots. The QDs are functionalized with antibodies of prostate apoptosis response-4 (Par-4), poly(ADP-ribose) polymerases and beta actin to specifically bind with the proteins localized in the nucleus and cytoplasm of the cells, respectively. The QD-conjugated antibodies are used to overcome the limitations of conventional western blot technique. The sensitivity and rapidity of protein detection in QD-based approach is very high, with detection limits up to 10 pg of protein. In addition, these labels provide the capability of enhanced identification and localization of marker proteins in intact cells by confocal laser scanning microscopy.

}, keywords = {Detection, Imaging, nanomedicine, quantum dot, Rapid, sensors, Western blot}, issn = {1388-0764}, doi = {10.1007/s11051-012-0732-9}, author = {Kale, Sonia and Kale, Anup and Gholap, Haribhau and Rana, Abhimanyu and Desai, Rama and Banpurkar, Arun G. and Ogale, Satishchandra and Shastry, Padma} } @article { ISI:000301128300003, title = {Radical mediated deoxygenation of inositol benzylidene acetals: conformational analysis, DFT calculations, and mechanism}, journal = {Carbohydrate Research}, volume = {351}, year = {2012}, month = {APR}, pages = {26-34}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Xanthates of 1,3-benzylidene acetal derivatives of myo- and neo-inositols undergo dideoxygenation under Barton-McCombie conditions, as a result of intramolecular abstraction of the benzylidene acetal hydrogen and subsequent cleavage of the acetal ring. Scrutiny of structure of these bicyclic inositol derivatives shows that although the conformation of the two rings can vary depending on the configuration of the inositol ring and the phase in which the molecules are present, both the xanthates lead to the formation of the same dideoxyinositol. DFT calculations on these molecular systems suggest that neo-inositol derivatives undergo conformational change prior to radical formation while myo- inositol derivatives undergo conformational change subsequent to radical formation, during the deoxygenation reaction. A low barrier for intramolecular hydrogen transfer supports the extreme facility of this deoxygenation reaction. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Deoxygenation, DFT, Inositol, Mechanism, Radical, Xanthate}, issn = {0008-6215}, doi = {10.1016/j.carres.2012.01.001}, author = {Gurale, Bharat P. and Vanka, Kumar and Shashidhar, Mysore S.} } @article { ISI:000312148500013, title = {Rapid microwave synthesis of fluorescent hydrophobic carbon dots}, journal = {RSC Advances}, volume = {2}, number = {32}, year = {2012}, month = {OCT}, pages = {12129-12131}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Fluorescent hydrophobic carbon dots (HCDs) have been fabricated from a poloxamer by a simple microwave assisted process within a few minutes for the first time. Small and distinct spherical HCDs emitted bright blue and green fluorescent light depending upon the excitation wavelength and were dispersed easily in a wide variety of organic solvents. HCDs exhibited excellent water resistant behavior with a contact angle of similar to 122 degrees enforcing good hydrophobic character which will be quite useful in potential surface applications.

}, issn = {2046-2069}, doi = {10.1039/c2ra21048g}, author = {Mitra, Shouvik and Chandra, Sourov and Kundu, Tanay and Banerjee, Rahul and Pramanik, Panchanan and Goswami, Arunava} } @article {42504, title = {Ratiometric detection of Cr3+ and Hg2+ by a naphthalimide-rhodamine based fluorescent probe}, journal = {Inorganic Chemistry}, volume = {51}, year = {2012}, month = {JAN}, pages = {1769{\textendash}1777}, abstract = {

Newly synthesized rhodamine derivatives, L1 and L2, are found to bind specifically to Hg2+ or Cr3+ in presence of large excess of other competing ions with associated changes in their optical and fluorescence spectral behavior. These spectral changes are significant enough in the visible region of the spectrum and thus, allow the visual detection. For L1, the detection limit is even lower than the permissible [Cr3+] or [Hg2+] in drinking water as per standard U.S. EPA norms; while the receptor, L2 could be used as a ratiometric sensor for detection of Cr3+ and Hg2+ based on the resonance energy transfer (RET) process involving the donor naphthalimide and the acceptor Cr3+/Hg2+-bound xanthene fragment. Studies reveal that these two reagents could be used for recognition and sensing of Hg2+/Cr3+. Further, confocal laser microscopic studies confirmed that the reagent L2 could also be used as an imaging probe for detection of uptake of these ions in A431 cells.

}, doi = {10.1021/ic202073q}, author = {Mahato, Prasenjit and Saha, Sukdeb and Suresh, E. and Liddo, Rosa Di and Parnigotto, Pier Paolo and Conconi, Maria Teresa and Kesharwani, Manoj K. and Ganguly, Bishwajit and Das, Amitava} } @article {42501, title = {Recognition of Hg 2+ and Cr 3+ in physiological conditions by a rhodamine derivative and its application as a reagent for cell-imaging studies}, journal = {Inorganic Chemistry}, volume = {51}, year = {2012}, month = {DEC}, pages = {336{\textendash}345}, abstract = {

A new rhodamine-based receptor, derivatized with an additional fluorophore (quinoline), was synthesized for selective recognition of Hg2+ and Cr3+ in an acetonitrile/HEPES buffer medium of pH 7.3. This reagent could be used as a dual probe and allowed detection of these two ions by monitoring changes in absorption and the fluorescence spectral pattern. In both instances, the extent of the changes was significant enough to allow visual detection. More importantly, the receptor molecule could be used as an imaging reagent for detection of Hg2+ and Cr3+ uptake in live human cancer cells (MCF7) using laser confocal microscopic studies. Unlike Hg(ClO4)2 or Hg(NO3)2 salts, HgCl2 or HgI2 failed to induce any visually detectable change in color or fluorescence upon interaction with L1 under identical experimental conditions. Presumably, the higher covalent nature of HgII in HgCl2 or HgI2 accounts for its lower acidity and its inability to open up the spirolactam ring of the reagent L1. The issue has been addressed on the basis of the single-crystal X-ray structures of L1{\textperiodcentered}HgX2 (X{\textendash} = Cl{\textendash} or I{\textendash}) and results from other spectral studies.

}, doi = {10.1021/ic2017243}, author = {Saha, Sukdeb and Mahato, Prasenjit and Reddy, Upendar G. and Suresh, E. and Chakrabarty, Arindam and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article {42500, title = {Recognition of Hg2+ion through restricted imine isomerization: crystallographic evidence and imaging in live cells}, journal = {Organic Letters}, volume = {14}, year = {2012}, month = {JUN}, pages = {2980{\textendash}2983}, abstract = {

A newly synthesized imine-based receptor (L) showed remarkable specificity toward the Hg2+ ion in aqueous media over other metal ions. Coordination of L to Hg2+ induces a turn-on fluorescence response. This was explained based on the restricted imine isomerization along with PET on coordination to Hg2+. X-ray structural evidence tends to favor a C{\textendash}C bond rotation rather than C=N isomerization for adopting a favorable conformation in L for coordination to Hg2+. This reagent could be used for imaging the accumulation of Hg2+ ions in HeLa cells.

}, doi = {10.1021/ol3009733}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Das, Priyadip and Suresh, E. and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000302540600008, title = {Regio- and stereoselective synthesis of new substituted tetrahydrocarbazoles and carbazoles using diels-alder reactions}, journal = {Synthetic Communications}, volume = {42}, number = {12}, year = {2012}, month = {NOV}, pages = {1786-1795}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Diels-Alder reactions of 3-vinylindoles were carried out with methyl acrylate and N-phenylmaleimide as dienophiles under microwave conditions to furnish unreported tetrahydrocarbazoles regio- and stereoselectively in good yields. Further dehydrogenation resulted in new substituted carbazoles.

}, keywords = {Carbazoles, regio- and stereoselective Diels-Alder reactions, tetrahydrocarbazoles}, issn = {0039-7911}, doi = {10.1080/00397911.2010.544440}, author = {Hingane, Dattatray G. and Goswami, Shailesh K. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @article { ISI:000307077500019, title = {Regulation of BACE1 by miR-29a/b in a cellular model of spinocerebellar ataxia 17}, journal = {RNA Biology}, volume = {9}, number = {6, SI}, year = {2012}, month = {JUN}, pages = {891-899}, publisher = {LANDES BIOSCIENCE}, address = {1806 RIO GRANDE ST, AUSTIN, TX 78702 USA}, abstract = {

Polyglutamine diseases are a class of neurodegenerative disorders characterized by expansion of polyglutamine repeats, protein aggregation and neuronal cell death in specific regions of the brain. The expansion of a polyglutamine repeat in the TATA binding protein (TBP) causes a neurodegenerative disease, Spinocerebellar Ataxia 17 (SC A17). This disease is characterized by intranuclear protein aggregates and selective loss of cerebellar neurons, including Purkinje cells. MicroRNAs are small, endogenous, regulatory non-coding RNA molecules that bind to mRNAs with partial complementarity and interfere in their expression. Here, we used a cellular model of SC A17 where we expressed TBP with 16 (normal) or 59 (pathogenic) polyglutamines and found differential expression of several microRNAs. Specifically, we found two microRNAs, miR-29a/b, were downregulated. With miR-29a/b downregulation, we found an increased expression of targets of miR-29a/b-beta-site amyloid precursor protein cleaving enzyme 1 (BACE 1), p53 upregulated modulator of apoptosis (PUMA) and BAK, increased cytochrome c release and apoptosis. Restoration of miR-29a/b in the pathogenic polyglutamine background reduced the BACE 1 expression. While, antagomiRs against miR-29a/b resulted in an increase in BACE 1 levels and neuronal apoptosis. In spite of the elevation of BACE 1 in Alzhemiers disease, its role in neuronal cell death has not been established. Here, we show that increased BACE 1 expression is not sufficient to cause apoptosis. However restoring level of BACE 1 to normal in polyglutamine cells partially reduced neuronal apoptosis. We show a role for the miR-29a/b-BACE 1 regulatory interaction in SC A17, suggesting that this microRNA could be part of a common molecular mechanism leading to neuronal cell death in multiple neurodegenerative disorders. The identification of a common mechanism of microRNA mediated neurodegeneration not only improves our understanding of the process, but also provides promising and novel therapeutic targets.

}, keywords = {BACE1, miR-29a/b, neurodegeneration, SCA17, TBP}, issn = {1547-6286}, doi = {10.4161/rna.19876}, author = {Roshan, Reema and Ghosh, Tanay and Gadgil, Mugdha and Pillai, Beena} } @article {42712, title = {Ruthenium pincer-catalyzed cross-dehydrogenative coupling of primary alcohols with secondary alcohols under neutral conditions}, journal = {Advanced Synthesis \& Catalysis}, volume = {354}, year = {2012}, month = {SEP}, pages = {2403{\textendash}2406}, abstract = {

Cross-dehydrogenative coupling of primary alcohols with secondary alcohols to obtain mixed esters with the liberation of molecular hydrogen is achieved in high yield and good selectivity under neutral conditions, using a bipyridyl-based PNN ruthenium(II) pincer catalyst.

}, doi = {10.1002/adsc.201200438}, author = {Srimani, Dipankar and Balaraman, Ekambaram and Gnanaprakasam, Boopathy and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000309597000010, title = {Ruthenium-catalyzed C6-propenylation reactions of substituted pyridine derivatives: directed and direct C-H activation}, journal = {Chemistry-A European Journal}, volume = {18}, number = {42}, year = {2012}, month = {OCT}, pages = {13288-13292}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {alkenylation, C?H activation, nitrogen heterocycles, pyridine derivatives, ruthenium}, issn = {0947-6539}, doi = {10.1002/chem.201202379}, author = {Goriya, Yogesh and Ramana, Chepuri V.} } @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 {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: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: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: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: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: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: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: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: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: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:000307387100024, title = {Thermal, mechanical, and rheological characterization of polypropylene/layered double hydroxide nanocomposites}, journal = {Polymer Engineering and Science}, volume = {52}, number = {9}, year = {2012}, month = {SEP}, pages = {2006-2014}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Polypropylene (PP)/organomodified layered double hydroxide (LDH) nanocomposites were prepared in order to examine the influence of LDH content on thermal, mechanical, and rheological properties. The nanostructure examinations by X-ray diffraction (XRD) and transmission electron microscopy (TEM) confirmed the exfoliated/intercalated dispersion of LDH. Incorporation of the LDH resulted in a noteworthy improvement in the thermal stability of PP. It was shown that the addition of LDH contributed to the reinforcement effect by increasing the elastic modulus. The mechanical performance, as evaluated by stressstrain curves, reveal that PP/LDH hybrid materials showed significant contribution toward increment in elastic modulus, tensile strength but at the expense of impact strength. The rheological response showed a strong influence of LDH particles on the flow behavior of the PP/LDH melt which resulted in enhancement of storage, loss of moduli, and complex viscosity of nanocomposites. Therefore, the nanocomposites have higher moduli but better processibility compared with pure PP. Overall, the results indicated that the LDH particles in nanometer size might act as potential reinforcing agent for polypropylene. POLYM. ENG. SCI., 52:20062014, 2012. (c) 2012 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.23147}, author = {Lonkar, Sunil P. and Therias, Sandrine and Leroux, Fabrice and Gardette, Jean Luc and Singh, Raj Pal} } @article { ISI:000303304900028, title = {TiO2-Au plasmonic nanocomposite for enhanced dye-sensitized solar cell (DSSC) performance}, journal = {Solar Energy}, volume = {86}, number = {5}, year = {2012}, month = {MAY}, pages = {1428-1434}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Anatase TiO2 nanoparticles dressed with gold nanoparticles were synthesized by hydrothermal process by using mixed precursor and controlled conditions. Diffused Reflectance Spectra (DRS) reveal that in addition to the expected TiO2 interband absorption below 360 nm gold surface plasmon feature occurs near 564 nm. It is shown that the dye sensitized solar cells made using TiO2-Au plasmonic nanocomposite yield superior performance with conversion efficiency (CE) of similar to 6\% (no light harvesting), current density (J(SC)) of similar to 13.2 mA/cm(2), open circuit voltage (V-oc) of similar to 0.74 V and fill factor (FF) 0.61; considerably better than that with only TiO2 nanoparticles (CE similar to 5\%, J(SC) similar to 12.6 mA/cm(2), V-oc similar to 0.70 V, FF similar to 0.56). (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Anatase TiO2, Au, Dye-sensitized solar cells, Hybrid composite, hydrothermal}, issn = {0038-092X}, doi = {10.1016/j.solener.2012.02.002}, author = {Muduli, Subas and Game, Onkar S. and Dhas, Vivek V. and Vijayamohanan, K. and Bogle, Kashinath A. and Valanoor, N. and Ogale, Satishchandra B.} } @article { ISI:000303158300021, title = {Topochemical click reaction: spontaneous self-stitching of a monosaccharide to linear oligomers through lattice-controlled azide-alkyne cycloaddition}, journal = {Angewandte Chemie-International Edition}, volume = {51}, number = {18}, year = {2012}, month = {APR}, pages = {4362-4366}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {Click chemistry, green chemistry, polymerization, pseudosugars, topochemistry}, issn = {1433-7851}, doi = {10.1002/anie.201201023}, author = {Pathigoolla, Atchutarao and Gonnade, Rajesh G. and Sureshan, Kana M.} } @article { ISI:000299584400070, title = {Toward a quantitative correlation between microstructure and DSSC efficiency: a case study of TiO2-xNx nanoparticles in a disordered mesoporous framework}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {3, SI}, year = {2012}, month = {JAN}, pages = {2581-2587}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The efficiency (eta) of a dye-sensitized solar cell (DSSC) depends on various parameters, the critical factors being a fast charge carrier transport and a slow rate of electron-hole recombination. The present article describes a simple combustion synthesis method to prepare TiO2-xNx with following four important features that directly influences eta: (1) a disordered mesoporous structural framework with high surface area to give high dye-loading and a small diffusion length for charge carriers allowing rapid movement to the surface; (2) electrically interconnected nanocrystalline TiO2-xNx particles with good necking and predominant (101) anatase facets to minimize electron-hole recombination; (3) low charge storage capacity in the titania framework; and (4) surface unsaturation assisting all the above factors. The pseudo-three-dimensional nature of mesoporous TiO2-xNx with the above features demonstrates the importance of textural features, and porosity allows faster diffusion of charge carriers to surface and their utilization to generate power. A quantitative correlation between interconnected nanoparticles over larger distances in a mesoporous framework and eta is demonstrated. This study also demonstrates an inexpensive and rapid method of producing the photoanode material with high eta in about 10 min.

}, issn = {1932-7447}, doi = {10.1021/jp210677d}, author = {Sivaranjani, Kumarsrinivasan and Agarkar, Shruti A. and Ogale, Satishchandra B. and Gopinath, Chinnakonda S.} } @article {43236, title = {Toward understanding the redox properties of model chromophores from the greenfluorescent protein family: an interplay between conjugation, resonance stabilization, and solvent effects}, journal = {Journal of Physical Chemistry B}, volume = {116}, year = {2012}, month = {OCT}, pages = {12398-12405}, abstract = {The redox properties of model chromophores from the green fluorescent protein family are characterized computationally using density functional theory with a long-range corrected functional, the equation-of-motion coupled-cluster method, and implicit solvation models. The analysis of electron-donating abilities of the chromophores reveals an intricate interplay between the size of the chromophore, conjugation, resonance stabilization, presence of heteroatoms, and solvent effects. Our best estimates of the gas-phase vertical/adiabatic detachment energies of the deprotonated (i.e., anionic) model red, green, and blue chromophores are 3.27/3.15, 2.79/2.67, and 2.75/2.35 eV, respectively. Vertical/adiabatic ionization energies of the respective protonated (i.e., neutral) species are 7.64/7.35, 7.38/7.15, and 7.70/7.32 eV, respectively. The standard reduction potentials (E-red(0)) of the anionic (Chr(center dot)/Chr(-)) and neutral (Chr(+center dot)/Chr) model chromophores in acetonitrile are 0.34/1.40 V (red), 0.22/1.24 V (green), and -0.12/1.02 V (blue), suggesting, counterintuitively, that the red chromophore is more difficult to oxidize than the green and blue ones (in both neutral and deprotonated forms). The respective redox potentials in water follow a similar trend but are more positive than the acetonitrile values.}, doi = {10.1021/jp305022t}, author = {Ghosh, Debashree and Acharya, Atanu and Tiwari, Subodh C. and Krylov, Anna I.} } @article { ISI:000305379000012, title = {Transformation of (+/-)-lavandulol and (+/-)-tetrahydrolavandulol by a fungal strain Rhizopus oryzae}, journal = {Bioresource Technology}, volume = {115}, year = {2012}, month = {JUL}, pages = {70-74}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Biotransformation of an irregular monoterpene alcohol, (+/-)-lavandulol [(+/-)-5-methyl-2-(1-methylethenyl)-4-hexen-1-ol] (I) and its tetrahydro derivative, (+/-)-tetrahydrolavandulol [(+/-)-2-isopropyl-5-methylhexan-1-ol] (II) were studied using a soil isolated fungal strain Rhizopus oryzae. Five metabolites, 2-((3,3-dimethyloxiran-2-yl)methyl)-3-methylbut-3-en-1-ol (Ia), 2-methyl-5-(prop-1-en-2-yl)hex-2ene-1,6-diol (Ib), 2-methyl-5-(prop-1-en-2-yl)hexane-1,6-diol (Ic), 2-(3-methylbut-2-enyl)-3-methylenebutane-1,4-diol (Id), 5-methyl-2-(2-methyloxiran-2-yl)hex-4-en-1-01 (Ie) have been isolated from the fermentation medium and characterized with lavandulol as a substrate. When tetrahydrolavandulol used as a substrate, two metabolites 2-isopropyl-5-methylhexane-1,5-diol (IIa) and 2-isopentyl-3-methylbutane-1,3-diol (lib) have been isolated from the fermentation medium. Biotransformation studies with R. oryzae clearly indicate that the organism initiates the transformation either by hydroxylation at allylic methyl groups or epoxidation of double bond. GC and GCMS analyses indicated that both (R)and (S)-enantiomers of I and II have been transformed into corresponding hydroxylated or epoxy derivatives, when racemic I and II were used as substrates. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Biotransformation, Fungus, Lavandulol, Rhizopus oryzae, Tetrahydrolavandulol}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.11.038}, author = {Daramwar, Pankaj P. and Rincy, Raju and Niloferjahan, Siddiqui and Krithika, Ramakrishnan and Gulati, Arvind and Yadav, Amit and Sharma, Rakesh and Thulasiram, Hirekodathakallu V.} } @article { ISI:000302335800008, title = {Trehalose as an indicator of desiccation stress in Drosophila melanogaster larvae: a potential marker of anhydrobiosis}, journal = {Biochemical and Biophysical Research Communications}, volume = {419}, number = {4}, year = {2012}, month = {MAR}, pages = {638-642}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

In the current scenario of global climate change, desiccation is considered as one of the major environmental stressors for the biota exposed to altered levels of ambient temperature and humidity. Drosophila melanogaster, a cosmopolitan terrestrial insect has been chosen as a humidity-sensitive bioindicator model for the present study since its habitat undergoes frequent stochastic and/or seasonally aggravated dehydration regimes. We report here for the first time the occurrence of anhydrobiosis in D. melanogaster larvae by subjecting them to desiccation stress under laboratory conditions. Larvae desiccated for ten hours at \<5\% relative humidity could enter anhydrobiosis and could revive upon rehydration followed by resumption of active metabolism. As revealed by FIR and HPLC analyzes, our findings strongly indicated the synthesis and accumulation of trehalose in the desiccating larvae. Biochemical measurements pointed out the desiccation-responsive trehalose metabolic pathway that was found to be coordinated in concert with the enzymes trehalose 6-phosphate synthase and trehalase. Further, an inhibitor-based experimental approach using deoxynojirimycin, a specific trehalase inhibitor, demonstrated the pivotal role of trehalose in larval anhydrobiosis of D. melanogaster. We therefore propose trehalose as a potential marker for the assessment of anhydrobiosis in Drosophila. The present findings thus add to the growing list of novel biochemical markers in specific bioindicator organisms for fulfilling the urgent need of environmental biomonitoring of climate change. (C) 2012 Elsevier Inc. All rights reserved.

}, keywords = {Anhydrobiosis, biomarker, Deoxynojirimycin, Desiccation, Drosophila melanogaster, trehalose}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2012.02.065}, author = {Thorat, Leena J. and Gaikwad, Sushama M. and Nath, Bimalendu B.} } @article { ISI:000305168600039, title = {Trehalose as an indicator of desiccation stress in Drosophila melanogaster larvae: a potential marker of anhydrobiosis (vol 419, pg 638, 2012)}, journal = {Biochemical and Biophysical Research Communications}, volume = {421}, number = {4}, year = {2012}, month = {MAY}, pages = {860}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2012.04.140}, author = {Thorat, Leena J. and Gaikwad, Sushama M. and Nath, Bimalendu B.} } @article {43386, title = {Trends towards zero discharge of distillery effluents}, number = {18}, year = {2012}, month = {SEP}, pages = {211 - 215}, type = {Special Report}, abstract = {In the present paper we have described briefly a customer friendly process for the treatment of distillery effluent to obtain colourless water.In order to bring about improvement of cost factor, our developmental efforts towards cheaper and efficient adsorbents have been elucidated. Further improvement of its cost factor could be achieved by enhancing the colour removal ability of the adsorbent (activecharcoal) with small quantities of oxidizing agents (in ppm level). Recent developments towards obtaining valueadded products from spent wash using various methodologies and techniques have been reviewed with a view to encourage technocrats and entrepreneurs to take lead in this challenging and economically attractive endeavor}, author = {Gokarn, A. N. and Pande, Anita R. and Mayadevi, S.} } @article { ISI:000299212700017, title = {Tuning spectral properties of phenothiazine based donor-pi-acceptor dyes for efficient dye-sensitized solar cells}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {3}, year = {2012}, month = {NOV}, pages = {889-894}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two novel metal-free organic donor-pi-acceptor dyes were synthesized using electron-rich 10-butyl-(2-methylthio)-10H-phenothiazine as a donor and cyanoacrylic acid as an acceptor. The spectral response of the dye was tuned by introducing a vinylene thiophene pi-bridge. Obtained optical and electrochemical properties of the dyes seemed to be promising in terms of employing them as light harvesters in dye-sensitized solar cells (DSCs). The efficiencies of the devices under standard AM 1.5G (100 mW cm(-2)) conditions reached 7.3\% with volatile electrolyte. The differences in the photovoltaic parameters of these DSCs were explained by comparing the results of electrochemical impedance spectroscopy (EIS) measurements and transient photovoltage and photocurrent decay experiments.

}, issn = {0959-9428}, doi = {10.1039/c1jm14024h}, author = {Marszalek, Magdalena and Nagane, Satyawan and Ichake, Amol and Humphry-Baker, Robin and Paul, Vincent and Zakeeruddin, Shaik M. and Graetzel, Michael} } @article { ISI:000295772200014, title = {Ultrasound assisted one pot synthesis of imidazole derivatives using diethyl bromophosphate as an oxidant}, journal = {Ultrasonics Sonochemistry}, volume = {19}, number = {1}, year = {2012}, month = {JAN}, pages = {94-96}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A one pot, three-component condensation of benzoin/benzyl, an aldehyde, and ammonium acetate using diethyl bromophosphate as a mild oxidant is achieved to form trisubstituted imidazole compounds. Under ultrasound irradiation, a smooth condensation occurs to get the 2, 4, 5-triaryl-1H-imidazole compounds in good to excellent yields. The study explores the scope and limitation of diethyl bromophosphate as an oxidant and suggests advantages, viz., simplicity of operation, reduction in time, and an increase in product yields. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Diethyl bromophosphate (DEP), Imidazole, One pot synthesis, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2011.05.009}, author = {Nagargoje, Deepak and Mandhane, Priyanka and Shingote, Savita and Badadhe, Pravin and Gill, Charansingh H.} } @article { ISI:000300466900006, title = {Understanding the growth of micro and nano-crystalline AlN by thermal plasma process}, journal = {Journal of Crystal Growth}, volume = {339}, number = {1}, year = {2012}, month = {JAN}, pages = {36-45}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We report the studies related to the growth of crystalline AlN in a DC thermal plasma reactor, operated by a transferred arc plasma torch. The reactor is capable of producing the nanoparticles of Al and AlN depending on the composition of the reacting gas. Al and AlN micro crystals are formed at the anode placed on the graphite and nano crystalline Al and AlN gets deposited on the inner surface of the plasma reactor. X-ray diffraction, Raman spectroscopy analysis, single crystal X-ray diffraction and TGA-DTA techniques are used to infer the purity of post process crystals as a hexagonal AlN. The average particle size using SEM was found to be around 30 mu m. The morphology of nanoparticles of Al and AlN, nucleated by gas phase condensation in a homogeneous medium were studied by transmission electron microscopy analysis. The particle ranged in size between 15 and 80 nm in diameter. The possible growth mechanism of crystalline AlN at the anode has been explained on the basis of non-equilibrium processes in the core of the plasma and steep temperature gradient near its periphery. The gas phase species of AlN and various constituent were computed using Murphy code based on minimization of free energy. The process provides 50\% yield of microcrystalline AlN and remaining of Al at anode and that of nanocrystalline h-AlN and c-Al collected from the walls of the chamber is about 33\% and 67\%, respectively. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Crystal morphology, Growth from high temperature solutions, Nitride, Semiconducting aluminum compound}, issn = {0022-0248}, doi = {10.1016/j.jcrysgro.2011.11.011}, author = {Kanhe, Nilesh S. and Nawale, Ashok B. and Gawade, Rupesh L. and Puranik, Vedavati G. and Bhoraskar, S. V. and Das, Asoka K. and Mathe, Vikas L.} } @article { ISI:000308414500020, title = {Unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone}, journal = {Chemical Communications}, volume = {48}, number = {78}, year = {2012}, month = {AUG}, pages = {9747-9749}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two folded peptides featuring carboxamide and sulfonamide at the core of the peptide fold have been shown to possess almost similar conformational features, despite the well-known fact that carboxamides and sulfonamides have strikingly different hydrogen-bonding and geometrical preferences.

}, issn = {1359-7345}, doi = {10.1039/c2cc34533a}, author = {Vijayadas, Kuruppanthara N. and Davis, Hilda C. and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article {42709, title = {Use of ruthenium complexes for formation and/or hydrogenation of amides and related carboxylic acid derivatives}, number = {US 13/471,037}, year = {2012}, month = {MAR}, type = {Grant}, chapter = {US9290441 B2}, abstract = {

A process for preparing amides by reacting a primary amine and a primary alcohol in the presence of a Ruthenium complex to generate the amide and molecular hydrogen. Primary amines are directly acylated by equimolar amounts of alcohols to produce amides and molecular hydrogen (the only byproduct) in high yields and high turnover numbers. Also disclosed are processes for hydrogenation of amides to alcohols and amines; hydrogenation of organic carbonates to alcohols; hydrogenation of carbamates or urea derivatives to alcohols and amines; amidation of esters; acylation of alcohols using esters; coupling of alcohols with water and a base to form carboxylic acids; dehydrogenation of beta-amino alcohols to form pyrazines and cyclic dipeptides; and dehydrogenation of secondary alcohols to ketones. These reactions are catalyzed by a Ruthenium complex which is based on a dearomatized PNN-type ligand of formula A1 or precursors thereof of formulae A2 or A3.

}, author = {Milstein, David and Gunanathan, Chidambaram and Ben-David, Yehoshoa and Balaraman, Ekambaram and Gnanaprakasam, Boopathy and Zhang, Jing} } @article { ISI:000304888700036, title = {Visible-light-induced photosplitting of water over gamma {\textquoteleft}-Fe4N and gamma {\textquoteleft}-Fe4N/alpha-Fe2O3 nanocatalysts}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {22}, year = {2012}, month = {JUN}, pages = {12156-12164}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The application of gamma{\textquoteright}-Fe4N, a noble-metal-free, low-cost catalyst, in the photosplitting of neat water into stoichiometric amounts of H-2 and O-2 under visible-light irradiation is reported for the first time. The catalyst showed optical absorption and photoluminescence emission bands in the entire visible region. The photocatalytic water-splitting activity was wavelength-dependent, the quantum efficiency for H-2 evolution being ca. 1.7 and 0.7\% at excitation wavelengths of 450 and 500 nm, respectively. Addition of electron donor/acceptor sacrificial reagents considerably affected the yield and stoichiometry of H-2 and O-2. At the same time, the product yield increased in a composition-dependent manner for (gamma{\textquoteright}-Fe4N)(x) + (alpha-Fe2O3)(1-x) nanocomposites. This activity augmentation is ascribed to the better dispersion of the active component gamma{\textquoteright}-Fe4N and also to the availability of more active surface sites at Fe4N/Fe2O3 contacts. Moreover, the proximity of the valence band potential of the component photosystems promotes the preferential transfer/entrapment of photoexcited hole carriers. We envisage that the defect/impurity-induced interband-gap energy states may play a vital role in these charge-transfer processes, leading thereby to more effective e(-)-h(+) separation and the enhanced rate of the water-splitting reaction. First-principles electronic structure analysis suggests that the extraordinary photocatalytic and optical properties of intermetallic gamma{\textquoteright}-Fe4N may arise from the particle-size-dependent changes in electronic structure.

}, issn = {1932-7447}, doi = {10.1021/jp303255f}, author = {Dhanasekaran, P. and Salunke, Hemant G. and Gupta, Narendra M.} } @article {43234, title = {VUV Photoionization and Ab initio determination of the ionization energy of a gas-phasesugar (deoxyribose)}, journal = {Journal of Physical }, volume = {3}, year = {2012}, month = {JAN}, pages = { 97-101}, abstract = {The ionization energy of gas-phase deoxyribose was determined using tunable vacuum ultraviolet synchrotron radiation coupled to an effusive thermal source. Adiabatic and vertical ionization energies of the ground and first four excited states of alpha-pyranose, the structure that dominates in the gas phase, were calculated using high-level electronic structure methods. An appearance energy of 9.1(+/- 0.05) eV was recorded, which agrees reasonably well with a theoretical value of 8.8 eV for the adiabatic ionization energy. A clear picture of the dissociative photoionization dynamics of deoxyribose emerges from the fragmentation pattern recorded using mass spectrometry and from ab initio molecular dynamics calculations. The experimental threshold 9.4 (+/- 0.05) eV for neutral water elimination upon ionization is captured well in the calculations, and qualitative insights are provided by molecular orbital analysis and molecular dynamics snapshots along the reaction coordinate.}, doi = {10.1021/jz201446r}, author = {Ghosh, Debashree and Golan, Amir and Takahashi, Lynelle K. and Krylov, Anna I. and Ahmed, Musahid} } @article { ISI:000315758900005, title = {Alpha-trimethylsilylmethylamine radical cation in the synthesis of cyclic amines and beyond}, journal = {Chimia}, volume = {67}, number = {1-2}, year = {2013}, month = {FEB}, pages = {30-38}, publisher = {SWISS CHEMICAL SOC}, address = {SCHWARZTORSTRASSE 9, CH-3007 BERN, SWITZERLAND}, abstract = {

The evolution of chemistry associated with the photoinduced electron transfer (PET)-generated alpha-trimethylsilylmethylamine radical cation cyclization to a tethered olefin to synthesize byclic amine structural frame works is presented in chronological order. The importance of this interesting chemistry is demonstrated by the synthesis of several novel glycosidase inhibitors.

}, keywords = {1-N-Iminosugars, alpha-Amine radical, alpha-Trimethylsilyl methylamine radical cation, Glycosidase inhibitors, Photoinduced electron transfer (PET)}, issn = {0009-4293}, doi = {10.2533/chimia.2013.30}, author = {Pandey, Ganesh and Dey, Debasis and Gadre, Smita R.} } @article { ISI:000325423500046, title = {Alterations in the helicoverpa armigera midgut digestive physiology after ingestion of pigeon pea inducible leucine aminopeptidase}, journal = {Plos One}, volume = {8}, number = {9}, year = {2013}, month = {SEP}, pages = {e74889}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Jasmonate inducible plant leucine aminopeptidase (LAP) is proposed to serve as direct defense in the insect midgut. However, exact functions of inducible plant LAPs in the insect midgut remain to be estimated. In the present investigation, we report the direct defensive role of pigeon pea inducible LAP in the midgut of Helicoverpa armigera (Lepidoptera: Noctuidae) and responses of midgut soluble aminopeptidases and serine proteinases upon LAP ingestion. Larval growth and survival was significantly reduced on the diets supplemented with pigeon pea LAP. Aminopeptidase activities in larvae remain unaltered in presence or absence of inducible LAP in the diet. On the contrary, serine proteinase activities were significantly decreased in the larvae reared on pigeon pea LAP containing diet as compared to larvae fed on diet without LAP. Our data suggest that pigeon pea inducible LAP is responsible for the degradation of midgut serine proteinases upon ingestion. Reduction in the aminopeptidase activity with LpNA in the H. armigera larvae was compensated with an induction of aminopeptidase activity with ApNA. Our findings could be helpful to further dissect the roles of plant inducible LAPs in the direct plant defense against herbivory.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0074889}, author = {Lomate, Purushottam R. and Jadhav, Bhakti R. and Giri, Ashok P. and Hivrale, Vandana K.} } @article { ISI:000322068400048, title = {Aminosilicate sol-gel stabilized N-doped TiO2-Au nanocomposite materials and their potential environmental remediation applications}, journal = {RSC Advances}, volume = {3}, number = {32}, year = {2013}, month = {MAY}, pages = {13390-13398}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A facile chemical reduction method to synthesize amine functionalized silicate sol-gel-supported gold-deposited nitrogen-doped Degussa-TiO2 nanocomposite materials (APS/(N-P25-Au)(NCM)) is reported and the materials are characterized by DRS, PL, XRD, TEM, Raman, XPS and BET surface area analysis. The application of the synthesized APS/(N-P25-Au)(N)CM towards environmental remediation processes are investigated by studying the catalytic oxidation of carbon monoxide (CO) and photocatalytic reduction of toxic mercuric (Hg(II)) ions. The catalytic and photocatalytic activity of the prepared catalysts are found to be in the order of APS/(N-P25-Au)(NCM) \>\> APS/(P25-Au)(NCM) \> N-P25 \> P25. The enhanced catalytic and photocatalytic activities of the APS/(N-P25-Au)(NCM) can be attributed to the synergistic effect of Au-nps and N-doped P25. The catalytic activities of the APS/(N-P25-Au)(NCM) are very promising in the field of green technology for the environmental cleaning applications.

}, issn = {2046-2069}, doi = {10.1039/c3ra40573g}, author = {Pandikumar, Alagarsamy and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S. and Ramaraj, Ramasamy} } @article { ISI:000320036300013, title = {Ant-pro reverse-turn motif. structural features and conformational characteristics}, journal = {European Journal of Organic Chemistry}, number = {17, SI}, year = {2013}, month = {JUN}, pages = {3529-3542}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

This article details the characteristic conformational features of the Ant-Pro reverse turn ? a folded pseudo -turn motif that displays a closed nine-membered-ring hydrogen-bonded network involving just two amino acid residues, namely anthranilic acid (Ant; a constrained -amino acid), and proline (Pro; a constrained -amino acid). The results from the extensive investigation of ten crystal structures and their NMR conformations in the solution state provide a clear idea about the conformational characteristics of the Ant-Pro reverse turn. The Ant and Pro residues, which form the turn segment, maintain a perfect antiperiplanar orientation throughout, leaving little possibility for the formation of the otherwise possible six-membered hydrogen-bonding that requires a coplanar disposition of the two amino acid residues, as clearly evident from investigation of several crystal structures. The closed hydrogen-bonded network observed in the Ant-Pro reverse turn motif, formed in the forward direction of the sequence (12 amino acid interactions) involving only two amino acid residues, is in stark contrast to the native -turns that involve four residues to form hydrogen-bonded network featuring backward 14 amino acid interactions. The readily available two-residue Ant-Pro motif raises the possibility of a practical utility, particularly in the application of rigidifying flexible peptide backbones by inserting the robust Ant-Pro reverse turn motifs into their backbone.

}, keywords = {Peptides, Peptidomimetics, Protein folding, Protein structures}, issn = {1434-193X}, doi = {10.1002/ejoc.201201739}, author = {Thorat, Vijaykumar H. and Ingole, Tukaram S. and Vijayadas, Kuruppanthara N. and Nair, Roshna V. and Kale, Sangram S. and Ramesh, Veera V. E. and Davis, Hilda C. and Prabhakaran, Panchami and Gonnade, Rajesh G. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000321665000007, title = {Applications of lithium zirconium silicate at high temperature for the carbon dioxide sorption and conversion to syn-gas}, journal = {Water Air and Soil Pollution}, volume = {224}, number = {6}, year = {2013}, month = {JUN}, pages = {1569}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The applications of different samples of lithium zirconium silicate contributing to CO2 sorption and conversion of CO2 to syn-gas at high temperatures were investigated. Several samples of lithium zirconium silicate prepared by solid-solid fusion method were calcined in air or nitrogen atmosphere at 900 degrees C for 3 h. The lithium zirconium silicate samples were characterized by acidity/alkalinity, surface area, XRD pattern, SEM images, and CO2 sorption. The alkalinity and surface area of the samples of lithium zirconium silicate were found to be in the range of 15.1 to 20.0 mmol g(-1) and 0.05 to 2.13 m(2) g(-1), respectively. The temperature profile of CO2 sorption by samples of lithium zirconium silicate was given for the range 100 to 700 degrees C. The CO2 sorption was found to be in the range of 12.81 to 18.04 wt.\% at 550 degrees C for samples of lithium zirconium silicate with different Li/Zr/Si mole ratios from 1 to 6. The crystalline phases in the samples of the lithium zirconium silicate, Li6Si2O7, ZrSiO4, Li2SiO3, Li2ZrO3, Li4ZrO4, and Li4SiO4 could contribute to CO2 capture. The conversion of CO2 by methane to syn-gas over the lithium silicate samples and PdO (5 wt.\%)/Al2O3 at 500 degrees C with the gas hourly space velocities 6,000, 12,000, and 36,000 mL h(-1) g(-1) of methane and 6,000 mL h(-1) g(-1) of CO2 was explored. However, the higher conversion of CO2 to syn-gas was observed at the low gas hourly space velocity of 6,000 mL h(-1) g(-1) of methane.

}, keywords = {Applications of lithium zirconium silicate, CO2 sorption, Solid-solid fusion method, Syn-gas, Temperature profile}, issn = {0049-6979}, doi = {10.1007/s11270-013-1569-2}, author = {Raskar, Reshma and Rane, Vilas and Gaikwad, Abaji G.} } @article { ISI:000319942700023, title = {Arsenomics of exiguobacterium sp PS (NCIM 5463)}, journal = {RSC Advances}, volume = {3}, number = {25}, year = {2013}, month = {APR}, pages = {9705-9713}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In the present study, arsenate [As(V)] tolerant organisms were isolated from a metal contaminated site, and identified by 16S rDNA sequencing as Exiguobacterium sp. Arsenomics (omics of arsenic response) in Exiguobacterium sp. PS via two-dimensional gel electrophoresis (2-DGE) coupled with identification of proteins using MALDI-TOF MS, MALDI-TOF MS/MS and LC/MSE are studied vide this paper. Out of 2460 Coomassie stained proteins, 270 were differentially expressed (p \< 0.05). Considering the resolution and abundance level, 45 spots (proteins) were subjected to MALDI-TOF MS/MS, MALDI-TOF/TOF and LC/MSE. Out of these, 33 were identified and categorized into several functional categories (including both known and novel/putative stress responsive proteins) viz., carbohydrate and energy metabolism, stress response, motility, amino acid, and purine and protein synthesis. The identifications of unique proteins, phosphate ABC transporter ATPase subunit and pyridine nucleotide disulfide oxidoreductase, are the significant findings of the present study which may be used as markers of As(V) stress in Exiguobacterium sp. PS. The absence of As(V) reductase activity and non-amplification of the arsC gene of the ars operon suggests that the classical mechanism of As(V) resistance may not be operating in Exiguobacterium sp. PS. Lastly, considering the fact that proteomic studies under As(V) stress were performed only in Gram negative organisms, this study is the first comprehensive endeavour to explore the mechanism of As(V) response in Gram positive organisms, Exiguobacterium sp. PS at the proteomic level.

}, issn = {2046-2069}, doi = {10.1039/c3ra40897c}, author = {Sacheti, Poonam and Bhonsle, Hemangi S. and Patil, Rajendra and Kulkarni, Mahesh J. and Srikanth, Rapole and Gade, Wasudeo N.} } @article { ISI:000326121700015, title = {Asymmetric N-heterocyclic carbene (NHC)-catalyzed annulation of modified enals with enolizable aldehydes}, journal = {Organic Letters}, volume = {15}, number = {20}, year = {2013}, month = {OCT}, pages = {5202-5205}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

N-Heterocyclic carbene (NHC)-catalyzed highly enantioselective lactonization of modified enals with enolizable aldehydes, proceeding via the alpha,beta-unsaturated acylazolium intermediates, is reported. The reaction results in the asymmetric synthesis of synthetically important 4,5-disubstituted dihydropyranones.

}, issn = {1523-7060}, doi = {10.1021/ol4026155}, author = {Yetra, Santhivardhana Reddy and Kaicharla, Trinadh and Kunte, Sunita S. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000317094300018, title = {Azide-functionalized lanthanide-based metal-organic frameworks showing selective CO2 gas adsorption and postsynthetic cavity expansion}, journal = {Inorganic Chemistry}, volume = {52}, number = {7}, year = {2013}, month = {APR}, pages = {3588-3590}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report herein selective CO2 gas adsorption by two azide-functionalized lanthanide-based metal-organic frameworks (MOFs). This work also demonstrates that azide-functionalized MOFs can be used for postsynthetic cavity expansion, further corroborated by enhanced gas-sorption data.

}, issn = {0020-1669}, doi = {10.1021/ic302823r}, author = {Ganguly, Sumi and Pachfule, Pradip and Bala, Sukhen and Goswami, Arijit and Bhattacharya, Sudeshna and Mondal, Raju} } @article { ISI:000324309600011, title = {Basic structural motif and major biophysical properties of Amyloid-beta are encoded in the fragment 18-35}, journal = {Chemical Physics}, volume = {422}, number = {SI}, year = {2013}, month = {AUG}, pages = {80-87}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Aggregation and misfolding of the amyloid beta (A beta) peptide is thought to initiate Alzheimer{\textquoteright}s disease (AD). Here we study the role played by its central segment (A beta(18-35)) in determining these properties. A beta(18-35) has a solubility of 18 mu M. The soluble fraction consists mainly of small oligomers, which have mixed beta-sheet and random coil structures. The monomer is mostly a random coil with some residual compactness. Aggregated A beta(18-35) forms fibrils of width 3.0 +/- 0.7 nm, which is consistent with a hairpin shape. Each of these properties has a close similarity to A beta(40). Remarkably, solid state NMR indicates that the fibrils also retain the secondary structure and tertiary contacts of A beta(40). This is the shortest fragment of A beta reported so far which preserves its fibrillar architecture, including the hairpin turn, as well as its solution phase conformational properties. Residues 18-35 should therefore be a key target of AD therapeutics. (C) 2013 Published by Elsevier B. V.

}, keywords = {Alzheimer{\textquoteright}s disease, Fluorescence correlation spectroscopy, Protein aggregation, Solid-state NMR}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2013.01.010}, author = {Chandrakesan, Muralidharan and Sarkar, Bidyut and Mithu, Venus Singh and Rajiv M. Abhyankar and Bhowmik, Debanjan and Nag, Suman and Sahoo, Bankanidhi and Shah, Riddhi and Gurav, Sushma and Banerjee, Raja and Dandekar, Sucheta and Jose, Jaya C. and Sengupta, Neelanjana and Madhu, Perunthiruthy K. and Maiti, Sudipta} } @article { ISI:000326008500015, title = {Biocatalyst mediated production of 6 beta,11 alpha-dihydroxy derivatives of 4-ene-3-one steroids}, journal = {Steroids}, volume = {78}, number = {11}, year = {2013}, month = {NOV}, pages = {1152-1158}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Biotransformation of steroids with 4-ene-3-one functionality such as progesterone (I), testosterone (II), 17 alpha-methyltestosterone (III), 4-androstene-3,17-dione (IV) and 19-nortestosterone (V) were studied by using a fungal system belonging to the genera of Mucor (M881). The fungal system efficiently and quantitatively converted these steroids in regio- and stereo-selective manner into corresponding 6 beta,11 alpha-dihydroxy compounds. Time course experiments suggested that the transformation was initiated by hydroxylation at 6 beta- or 11 alpha-(10 beta-hydroxy in case of V) to form monohydroxy derivatives which upon prolonged incubation were converted into corresponding 613,11oc-dihydroxy derivatives. The fermentation studies carried out using 5 L table-top fermentor with substrates (I and II) clearly indicates that 6 beta,11 alpha-dihydroxy derivatives of steroids with 4-ene-3-one functionality can be produced in large scale by using M881. (C) 2013 Elsevier Ltd.

}, keywords = {4-Ene-3-one steroids, Biotransformation, Mucor sp.}, issn = {0039-128X}, doi = {10.1016/j.steroids.2013.08.004}, author = {Kolet, Swati P. and Niloferjahan, Siddiqui and Haldar, Saikat and Gonnade, Rajesh G. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000316636600004, title = {Biodegradation of phenol by the yeast candida tropicalis: an investigation by NMR spectroscopy}, journal = {Applied Biochemistry and Biotechnology}, volume = {169}, number = {7}, year = {2013}, month = {APR}, pages = {2029-2037}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

The process of phenol biodegradation by the yeast Candida tropicalis NCIM 3556 in aqueous medium was studied by H-1, C-13, and DOSY NMR techniques. Samples at regular intervals were centrifuged to separate the cells, and H-1 spectral data were collected at 400 MHz. Though a gradual decrease in the concentration of phenol was observed, after an incubation period of similar to 8 h, formation of any intermediate products could not be detected. Experiments carried out with uniformly C-13-labeled phenol also failed to detect formation of any carboxylic acid intermediates during degradation. The studies indicated that the phenol was completely degraded to carbon dioxide and water in approximately 20 h. Self-diffusion coefficient measurements showed that the lifetime of phenol in the bound form is too small to impart any change in its diffusion behavior and the intermediates formed are converted to carbon dioxide and water at a very fast rate.

}, keywords = {biocatalysis, Carboxylic acid, Diffusion, Enzyme, NMR spectroscopy, phenol}, issn = {0273-2289}, doi = {10.1007/s12010-013-0119-0}, author = {Phalgune, U. D. and Rajamohanan, P. R. and Gaikwad, B. G. and Varma, R. J. and George, S.} } @article { ISI:000322464500002, title = {Biomass to biodegradable polymer (PLA)}, journal = {RSC Advances}, volume = {3}, number = {33}, year = {2013}, month = {JUN}, pages = {13558-13568}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Lignocellulosic biomass is renewable and cheap, and it has the potential to displace fossil fuels for the production of fuels and chemicals. Biomass derived lactic acid is an important compound that can be used as a chemical platform for the production of a variety of important chemicals on a large scale. The quality of the monomers of lactic acid and lactide, as well as the chemical changes induced during polymerization and processing, are crucial parameters for controlling the properties of the resulting polylactic acid (PLA) products. In this review, we outline the process of exploiting biomass for the production of polylactic acid, a biodegradable polymer which is well-known as a sustainable bioplastic material.

}, issn = {2046-2069}, doi = {10.1039/c3ra41592a}, author = {Singhvi, Mamata and Gokhale, Digambar V.} } @article { ISI:000321965300043, title = {Biosynthesis of antinutritional alkaloids in solanaceous crops is mediated by clustered genes}, journal = {Science}, volume = {341}, number = {6142}, year = {2013}, month = {JUL}, pages = {175-179}, publisher = {AMER ASSOC ADVANCEMENT SCIENCE}, address = {1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA}, abstract = {

Steroidal glycoalkaloids (SGAs) such as alpha-solanine found in solanaceous food plants-as, for example, potato-are antinutritional factors for humans. Comparative coexpression analysis between tomato and potato coupled with chemical profiling revealed an array of 10 genes that partake in SGA biosynthesis. We discovered that six of them exist as a cluster on chromosome 7, whereas an additional two are adjacent in a duplicated genomic region on chromosome 12. Following systematic functional analysis, we suggest a revised SGA biosynthetic pathway starting from cholesterol up to the tetrasaccharide moiety linked to the tomato SGA aglycone. Silencing GLYCOALKALOID METABOLISM 4 prevented accumulation of SGAs in potato tubers and tomato fruit. This may provide a means for removal of unsafe, antinutritional substances present in these widely used food crops.

}, issn = {0036-8075}, doi = {10.1126/science.1240230}, author = {Itkin, M. and Heinig, U. and Tzfadia, O. and Bhide, Amey J. and Shinde, B. and Cardenas, Pablo D. and Bocobza, S. E. and Unger, T. and Malitsky, Sergey and Finkers, R. and Tikunov, Y. and Bovy, A. and Chikate, Y. and Singh, P. and Rogachev, I. and Beekwilder, J. and Giri, Ashok P. and Aharoni, Asaph} } @article { ISI:000325400600023, title = {CAP/EOM-CCSD method for the study of potential curves of resonant states}, journal = {Physical Chemistry Chemical Physics}, volume = {15}, number = {41}, year = {2013}, month = {SEP}, pages = {17915-17921}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The equation-of-motion coupled-cluster (EOM-CC) method along with the complex absorbing potential (CAP) is used for the study of resonance in e(-)-N-2 and e(-)-CO. Resonance position and width are studied as a function of bond length. We report the potential curves (PC) of the resonance states.

}, issn = {1463-9076}, doi = {10.1039/c3cp52552j}, author = {Ghosh, Aryya and Karne, Anagha S. and Pal, Sourav and Vaval, Nayana} } @article { ISI:000317327900022, title = {Carboxamide versus sulfonamide in peptide backbone folding: a case study with a hetero foldamer}, journal = {Organic Letters}, volume = {15}, number = {7}, year = {2013}, month = {APR}, pages = {1504-1507}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Strikingly dissimilar hydrogen-bonding patterns have been observed for two sets of closely similar hetero foldamers containing carboxamide and sulfonamides at regular intervals. Although both foldamers maintain conformational ordering, the hydrogen-bonding pattern and backbone helical handedness differ diametrically.

}, issn = {1523-7060}, doi = {10.1021/ol4002762}, author = {Ramesh, Veera V. E. and Kale, Sangram S. and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000318296700018, title = {Catalytic dehydration of lactic acid to acrylic acid using calcium hydroxyapatite catalysts}, journal = {Green Chemistry}, volume = {15}, number = {5}, year = {2013}, month = {FEB}, pages = {1211-1217}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of calcium hydroxyapatite (HAP) catalysts were synthesised with a Ca/P ratio ranging from 1.3 to 1.89 by a co-precipitation method that involved changing the pH of the calcium and phosphorous precursors. The physicochemical characterization by XRD, SEM, BET surface area and CO2 and NH3-TPD techniques confirmed the hydroxyapatite formation. These HAP catalysts were used for the vapour phase dehydration of lactic acid to acrylic acid. The HAP catalyst with a Ca/P ratio of 1.3 was found to be the most efficient catalyst among the synthesised series, which gave 100\% conversion of lactic acid and 60\% selectivity towards acrylic acid at 375 degrees C when a 50\% (w/w) aqueous solution of lactic acid was used. The higher selectivity towards acrylic acid has been correlated to the increased acidity and reduced basicity of the HAP catalyst with a Ca/P ratio of 1.3 compared to the other HAP catalysts. The catalyst was found to be very stable and no deactivation was observed even after 300 h of reaction time. In situ FTIR studies were performed for understanding the mechanistic aspects and showed the formation of calcium lactate as an intermediate species during the dehydration of lactic acid to acrylic acid.

}, issn = {1463-9262}, doi = {10.1039/c3gc40144h}, author = {Ghantani, Vidhya C. and Lomate, Samadhan T. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000315168800013, title = {Catalytic signal amplification using [Fe-III(biuret-amide)]-mesoporous silica nanoparticles: visual cyanide detection}, journal = {Chemical Communications}, volume = {49}, number = {22}, year = {2013}, month = {MAR}, pages = {2216-2218}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Catalytic signal amplification was used for the colorimetric detection of CN- in aqueous media by using the enzyme catalase in tandem with mesoporous silica nanoparticle based synthetic HRP enzyme mimic Fe-MSNs. Signal amplification up to a maximum of eight fold was observed for the reporter {\textquoteleft}{\textquoteleft}oxidized TMB{\textquoteright}{\textquoteright} with respect to the added CN- ion.

}, issn = {1359-7345}, doi = {10.1039/c3cc38932d}, author = {Panda, Chakadola and Dhar, Basab B. and Malvi, Bharmana and Bhattacharjee, Yudhajit and Sen Gupta, Sayam} } @article { ISI:000320024400001, title = {C-C Bond formation catalyzed by natural gelatin and collagen proteins}, journal = {Beilstein Journal of Organic Chemistry}, volume = {9}, year = {2013}, month = {JUN}, pages = {1111-1118}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {

The activity of gelatin and collagen proteins towards C-C bond formation via Henry (nitroaldol) reaction between aldehydes and nitroalkanes is demonstrated for the first time. Among other variables, protein source, physical state and chemical modification influence product yield and kinetics, affording the nitroaldol products in both aqueous and organic media under mild conditions. Significantly, the scale-up of the process between 4-nitrobenzaldehyde and nitromethane is successfully achieved at 1 g scale and in good yield. A comparative kinetic study with other biocatalysts shows an increase of the first-order rate constant in the order chitosan \< gelatin \< bovine serum albumin (BSA) \< collagen. The results of this study indicate that simple edible gelatin can promote C-C bond forming reactions under physiological conditions, which may have important implications from a metabolic perspective.

}, keywords = {biocatalysis, carbon-carbon bond formation, gelatin, Henry reaction, protein}, issn = {1860-5397}, doi = {10.3762/bjoc.9.123}, author = {Kuehbeck, Dennis and Dhar, Basab Bijayi and Schoen, Eva-Maria and Cativiela, Carlos and Gotor-Fernandez, Vicente and Diaz, David Diaz} } @article { ISI:000328395400001, title = {Characterization of a chemostable serine alkaline protease from Periplaneta americana}, journal = {BMC Biochemistry}, volume = {14}, year = {2013}, month = {NOV}, pages = {32}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: Proteases are important enzymes involved in numerous essential physiological processes and hold a strong potential for industrial applications. The proteolytic activity of insects{\textquoteright} gut is endowed by many isoforms with diverse properties and specificities. Thus, insect proteases can act as a tool in industrial processes. Results: In the present study, purification and properties of a serine alkaline protease from Periplaneta americana and its potential application as an additive in various bio-formulations are reported. The enzyme was purified near to homogeneity by using acetone precipitation and Sephadex G-100 gel filtration chromatography. Enzyme activity was increased up to 4.2 fold after gel filtration chromatography. The purified enzyme appeared as single protein-band with a molecular mass of similar to 27.8 kDa in SDS-PAGE. The optimum pH and temperature for the proteolytic activity for purified protein were found around pH 8.0 and 60 degrees C respectively. Complete inhibition of the purified enzyme by phenylmethylsulfonyl fluoride confirmed that the protease was of serine-type. The purified enzyme revealed high stability and compatibility towards detergents, oxidizing, reducing, and bleaching agents. In addition, enzyme also showed stability towards organic solvents and commercial detergents. Conclusion: Several important properties of a serine protease from P. Americana were revealed. Moreover, insects can serve as excellent and alternative source of industrially important proteases with unique properties, which can be utilized as additives in detergents, stain removers and other bio-formulations. Properties of the P. americana protease accounted in the present investigation can be exploited further in various industrial processes. As an industrial prospective, identification of enzymes with varying essential properties from different insect species might be good approach and bioresource.

}, keywords = {Chemostability, Industrial catalyst, Insect proteases, Periplaneta americana, Serine alkaline protease}, issn = {1471-2091}, doi = {10.1186/1471-2091-14-32}, author = {Sanatan, Prashant T. and Lomate, Purushottam R. and Giri, Ashok P. and Hivrale, Vandana K.} } @article { ISI:000325836600014, title = {Characterization of three novel isoprenyl diphosphate synthases from the terpenoid rich mango fruit}, journal = {Plant Physiology and Biochemistry}, volume = {71}, year = {2013}, month = {OCT}, pages = {121-131}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Mango (cv. Alphonso) is popular due to its highly attractive, terpenoid-rich flavor. Although Alphonso is clonally propagated, its fruit-flavor composition varies when plants are grown in different geo-climatic zones. Isoprenyl diphosphate synthases catalyze important branch-point reactions in terpenoid biosynthesis, providing precursors for common terpenoids such as volatile terpenes, sterols and carotenoids. Two geranyl diphosphate synthases and a farnesyl diphosphate synthase were isolated from Alphonso fruits, cloned for recombinant expression and found to produce the respective products. Although, one of the geranyl diphosphate synthases showed high sequence similarity to the geranylgeranyl diphosphate synthases, it did not exhibit geranylgeranyl diphosphate synthesizing activity. When modeled, this geranyl diphosphate synthase and farnesyl diphosphate synthase structures were found to be homologous with the reference structures, having all the catalytic side chains appropriately oriented. The optimum temperature for both the geranyl diphosphate synthases was 40 degrees C and that for farnesyl diphosphate synthase was 25 degrees C. This finding correlated well with the dominance of monoterpenes in comparison to sesquiterpenes in the fruits of Alphonso mango in which the mesocarp temperature is higher during ripening than development. The absence of activity of these enzymes with the divalent metal ion other than Mg2+ indicated their adaptation to the Mg2+ rich mesocarp. The typical expression pattern of these genes through the ripening stages of fruits from different cultivation localities depicting the highest transcript levels of these genes in the stage preceding the maximum terpene accumulation indicated the involvement of these genes in the biosynthesis of volatile terpenes. (C) 2013 Elsevier Masson SAS. All rights reserved.

}, keywords = {Alphonso, Flavor variation, Fruit, Isoprenyl diphosphate synthase, Mangifera indica, Terpene volatiles}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2013.07.006}, author = {Kulkarni, Ram and Pandit, Sagar and Chidley, Hemangi G. and Nagel, Raimund and Schmidt, Axel and Gershenzon, Jonathan and Pujari, Keshav and Giri, Ashok P. and Gupta, Vidya} } @article { ISI:000326056600165, title = {Chemically conjugated sophorolipids on CdTe QDs: a biocompatible photoluminescence nanocomposite for theranostic applications}, journal = {RSC Advances}, volume = {3}, number = {44}, year = {2013}, month = {SEP}, pages = {22319-22325}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Functional nontoxic cadmium telluride (CdTe) quantum dots (QDs) have been synthesized using a natural functional glycolipid belonging to the family of sophorolipids (SL) as a surface-modifying agent. These SLs with open acidic form are highly suitable for QDs stabilization, are readily obtained by a fermentation process of the yeast Candida bombicola (polymorph Starmerella bombicola) in large amounts. In this work chemically stable, water soluble, and photoluminescent CdTe QDs were successfully conjugated to sophorolipids via a cross-linking reaction. The formation of SLs conjugated CdTe QDs was confirmed using different analytical techniques X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Transmission Electron Microscopy (TEM), Electron Diffraction (ED), Atomic Force Microscopy (AFM), Dynamic Light Scattering (DLS), and Photoluminescence (PL). It was shown that after being conjugated with SL the SL-CdTe QDs becomes biocompatible, still maintaining its water solubility and photoluminescence properties. The final SL coated photoluminescent CdTe QDs represent interesting biocompatible materials potentially useful for biomedical applications.

}, issn = {2046-2069}, doi = {10.1039/c3ra44535f}, author = {Singh, Pooja and Joshi, Kasturi and Guin, Debanjan and Prabhune, Asmita} } @article {42494, title = {CN? specific turn-on phosphorescent probe with probable application for enzymatic assay and as an imaging reagent}, journal = {Chemical Communications}, volume = {49}, year = {2013}, month = {OCT}, pages = {255-257}, abstract = {

A new {\textquotedblleft}turn-on{\textquotedblright} luminescence probe for imaging the uptake of 0.2 ppm inorganic CN- in live HeLa cells as well as for probing the CN- generation through an enzymatic process in a virtual aqueous medium at appropriate pH.

}, doi = {10.1039/C2CC37243F}, author = {Reddy, Upendar G. and Das, Priyadip and Saha, Sukdeb and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000313651700018, title = {Combinatorial approach of statistical optimization and mutagenesis for improved production of acidic phytase by Aspergillus niger NCIM 563 under submerged fermentation condition}, journal = {Applied Microbiology and Biotechnology}, volume = {97}, number = {2}, year = {2013}, month = {JAN}, pages = {673-679}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Combination of statistical optimization and mutagenesis to isolate hypersecretory strains is studied to maximize phytase production from Aspergillus niger NCIM 563 under submerged fermentation. The overall results obtained show a remarkable 5.98-fold improvement in phytase production rates when compared to that using basal medium. Optimization of culture conditions from parent strain is studied first by the Plackett-Burman technique to evaluate the effects of 11 variables for phytase production. The results showed that glucose, MgSO4, KCl, incubation period, and MnSO4 are the most significant variables affecting enzyme production. Further optimization in these variables, using a central composite design technique, resulted in 3.74-fold increase in the yield of phytase production to 254,500 U/l when compared with the activity observed with basal media (68,000 U/l) in shake flask. Our experiments show that the phytase from A. niger NCIM 563 exhibits desirable activity in simulated gastric fluid conditions with low pH and also improved thermostability when compared to commercial phytase. The improved yield demonstrates the potential applicability of phytase enzyme as a source of phytase supplement for phosphorus nutrition and environmental protection in animal feed industry. Physical and chemical mutagenesis experiments were carried out in parallel to isolate hypersecretory mutants that could possibly further enhance the enzyme production. Using optimized media conditions of the parent strain, our results show that mutant strain A. niger NCIM 1359 increased the phytase activity by another 1.6-fold to 407,200 U/l.

}, keywords = {Animal feed, Aspergillus niger, Mutagenesis, Phytase, Statistical optimization}, issn = {0175-7598}, doi = {10.1007/s00253-012-3965-8}, author = {Bhavsar, Kavita P. and Gujar, P. and Shah, P. and Kumar, V. Ravi and Khire, Jayant Malhar} } @article {42550, title = {Comparison of methods for identifying periodically varying genes}, journal = {International Journal of Bioinformatics Research and Applications}, volume = {9}, year = {2013}, month = {SEP}, pages = {53-70}, doi = {DOI: 10.1504/IJBRA.2013.050653}, author = {Vijayan, V. and Deshpande, P. and Gadgil, Chetan J. and Gadgil, Mugdha} } @article { ISI:000326207600012, title = {Complementation of intramolecular interactions for structural-functional stability of plant serine proteinase inhibitors}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1830}, number = {11}, year = {2013}, month = {NOV}, pages = {5087-5094}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Background: Plant protease inhibitors (PIs) constitute a diverse group of proteins capable of inhibiting proteases. Among Pls, serine Pls (SPIs) display stability and conformational restrictions of the reactive site loop by virtue of their compact size, and by the presence of disulfide bonds, hydrogen bonds, and other weak interactions. Scope of review: The significance of various intramolecular interactions contributing to protein folding mechanism and their role in overall stability and activity of SPIs is discussed here. Furthermore, we have reviewed the effect of variation or manipulation of these interactions on the activity/stability of SPIs. Major conclusions: The selective gain or loss of disulfide bond(s) in SPIs can be associated with their functional differentiation, which is likely to be compensated by non-covalent interactions (hydrogen bonding or electrostatic interactions). Thus, these intramolecular interactions are collectively responsible for the functional activity of SPIs, through the maintenance of scaffold framework, conformational rigidity and shape complementarities of reactive site loop. General significance: Structural insight of these interactions will provide an in-depth understanding of kinetic and thermodynamic parameters involved in the folding and stability mechanisms of SPIs. These features can be explored for engineering canonical SPIs for optimizing their overall stability and functionality for various applications. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Disulfide bond, hydrogen bonding, Intramolecular weak interaction, Protease, Reactive site loop, Serine proteinase inhibitor}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2013.07.019}, author = {Joshi, Rakesh S. and Mishra, Manasi and Suresh, C. G. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000328100400042, title = {Comprehensive study on mutual interplay of multiple V-shaped ligands on the helical nature of a series of coordination polymers and their properties}, journal = {Crystal Growth \& Design}, volume = {13}, number = {12}, year = {2013}, month = {DEC}, pages = {5487-5498}, abstract = {

{V-shaped ligands are commonly used for helical coordination polymer synthesis. However, employment of multiple V-shaped ligands does not always lead to a helical network. The mutual interplay of two V-shaped ligands, which is neither easily predictable nor well documented, plays a major role directing the self-assembly of the resultant network. We report here the construction of a series of novel coordination polymers {[Ni(OBA)(H2MDP)(H2O)]center dot(DMF)(3)}(n) (1),{[Ni(FBA)(H2MDP)]center dot(H2O)(3)center dot(DMF)\

}, author = {Goswami, Arijit and Bala, Sukhen and Pachfule, Pradip and Mondal, Raju} } @article {42643, title = {Copolymerization of aleuritic acid with l-lactic acid and study the aggregation behavior in different solvents}, journal = {International Journal of Research in Pharmacy and Chemistry}, volume = {3}, year = {2013}, month = {JAN}, abstract = {

In this present work, we highlight the copolymerization of L-lactic acid (L-LA with protected aleuritic acid in presence of Lewis acid catalyst using dehyropolycondensation method. The resulted copolymers are pliable, soft, waxy or even viscous liquid copolymers influenced by the aleuritic acid content. The purpose of this study is to investigate the physical properties. In addition, deprotected copolymers focus micelle-like aggregates in various organic solvents and mixed organic solvent at various proportions.

}, issn = {2231-2781}, author = {Pandey, Asutosh K. and Garnaik, Baijayantimala} } @article { ISI:000322611900037, title = {Correlation of hydrogen-bonding propensity and anticancer profile of tetrazole-tethered combretastatin analogues}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {23}, number = {16}, year = {2013}, month = {AUG}, pages = {4680-4684}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of 1,5-disubstituted tetrazole-tethered combretastatin analogues with extended hydrogen-bond donors at the ortho-positions of the aryl A and B rings were developed and evaluated for their antitubulin and antiproliferative activity. We wanted to test whether intramolecular hydrogen-bonding used as a conformational locking element in these analogues would improve their activity. The correlation of crystal structures with the antitubulin and antiproliferative profiles of the modified analogues suggested that hydrogen-bond-mediated conformational control of the A ring is deleterious to the bioactivity. In contrast, although there was no clear evidence that intramolecular hydrogen bonding to the B ring enhanced activity, we found that increased substitution on the B ring had a positive effect on antitubulin and antiproliferative activity. Among the various analogues synthesized, compounds 5d and 5e, having hydrogen-bonding donor groups at the ortho and meta-positions on the 4-methoxy phenyl B ring, are strong inhibitors of tubulin polymerization and antiproliferative agents having IC50 value in micromolar concentrations. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Colchicine, Combretastatin, Crystal, Tetrazole, Tubulin}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2013.06.004}, author = {Jedhe, Ganesh S. and Paul, Debasish and Gonnade, Rajesh G. and Santra, Manas K. and Hamel, Ernest and Tam Luong Nguyen and Sanjayan, Gangadhar J.} } @article { ISI:000316859400002, title = {Crystal structure and fluorescence analysis of alkaline thermostable xylanase from bacillus sp (NCL 87-6-10)}, journal = {Protein and Peptide Letters}, volume = {20}, number = {2}, year = {2013}, month = {FEB}, pages = {125-132}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Structural information deduced from the new crystal form of xylanase from Bacillus sp (NCL 87-6-10) (ATBXYL-C) helped us to identify the active site and interpret the stability of the enzyme. The analysis of the tetragonal crystal structure of ATBXYL-C with a bound and cleaved xylotriose revealed the two glutamic acid residues in the structure that could act as nucleophile (Glu94) and base (Glu184) in the enzyme activity and also the tryptophan residues interacting with the substrate. The cleavage of xylotriose in the crystal showed xylobiose to be the major product. Intrinsic fluorescence of the enzyme showed the presence of tryptophans in partially exposed to the solvent at the active site and surface tryptophans in electropositive environment. The titration experiments with xylobiose and xylotriose revealed slightly enhanced preference for longer chain X3 compared with X2. The crystal structure also account for some of the factors, such as increased number of ionic interactions and additional interactions at the N-terminus, which contributed to increased alkalophilicity and thermostability of the enzyme.

}, keywords = {active site residues, Alkaline thermophile Bacillus xylanase (ATBXYL-C), fluorescence studies, three-dimensional structure}, issn = {0929-8665}, doi = {10.2174/092986613804725271}, author = {Satyanarayana, L. and Gaikwad, Sushama M. and Balkrishnan, H. and Suresh, C. G.} } @article { ISI:000315707600041, title = {Design and performance aspects of a custom-built ambient pressure photoelectron spectrometer toward bridging the pressure gap: oxidation of Cu, Ag, and Au surfaces at 1 mbar O-2 pressure}, journal = {Journal of Physical Chemistry C}, volume = {117}, number = {9}, year = {2013}, month = {MAR}, pages = {4717-4726}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The critical features of a custom-built laboratory version ambient pressure photoelectron spectrometer (Lab-APPES) are presented. A double front cone differential pumping arrangement and an aperture free design employed in the electrostatic lens regime improve the data collection and data quality. In contrast to the conventional X-ray photoelectron spectrometers (XPS) operating at ultrahigh vacuum (UHV), it is possible to explore the electronic structure of solid surfaces under working conditions or closer to working conditions with Lab-APPES. Especially surface-dependent phenomena can be explored up to 1 mbar pressure and up to 873 K by conventional heating methods and at least up to 1273 K by a laser heating method. Simultaneous XPS and reaction kinetic measurements on solid surfaces make the Lab-APPES an important tool to measure the dynamic electronic structure changes on material surfaces under reaction conditions. The interaction of O-2 with polycrystalline foils of Cu, Ag, and Au from UHV to 1 mbar and up to 773 K has been studied.

}, issn = {1932-7447}, doi = {10.1021/jp312706s}, author = {Roy, Kanak and Vinod, C. P. and Gopinath, Chinnakonda S.} } @article { ISI:000325194900021, title = {Designing a thiol specific fluorescent probe for possible use as a reagent for intracellular detection and estimation in blood serum: kinetic analysis to probe the role of intramolecular hydrogen bonding}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {38}, year = {2013}, month = {OCT}, pages = {6604-6614}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new and simple chemodosimetric probe L-1 is utilized for the selective detection of biothiols in the presence of other relevant amino acids under physiological conditions (pH = 7.4). This eventually led to a turn-off luminescence response due to an effective photoinduced electron transfer based signaling mechanism. A comparison of the results of the fluorescence kinetic analysis and H-1 NMR studies of the reaction between thiol and L-1 or the analogous compound L-2 revealed the role of intramolecular hydrogen bonding in activating the imine functionality towards nucleophilic addition. Such an example is not common in contemporary literature. Conventional MTT assay studies revealed that this probe (L-1) has low cytotoxicity. Results of the cell imaging studies revealed that this probe was cell membrane permeable and could detect the intracellular distribution of biothiols within living HeLa cells. Furthermore, our studies with human blood plasma demonstrated the possibility of using this reagent for the quantitative optical detection of total biothiols in biological fluid. Such an example for the detection of biothiols in real biological samples is rare in the contemporary literature. These results clearly demonstrate the possibility of using this reagent in medicinal biology and diagnostic applications.

}, issn = {1477-0520}, doi = {10.1039/c3ob41284a}, author = {Das, Priyadip and Mandal, Amal Kumar and Reddy, Upendar G. and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000319335700004, title = {Detection and knockdown of MicroRNA-34a using thioacetamido nucleic acid}, journal = {Nucleic Acid Therapeutics}, volume = {23}, number = {3}, year = {2013}, month = {JUN}, pages = {195-202}, publisher = {MARY ANN LIEBERT INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {

Thioacetamido nucleic acids (TANA) contain a backbone modification of dinucleotides consisting of a 5-atom amide linker N3{\textquoteright}-COCH2-S-CH2 at thymidine or thymidine-cytidine dimer blocks. Here, the chemical synthesis of the TANA linked 5-methyl-cytidine-cytidine ((Me)cc) dimer block and its incorporation into the DNA sequence, complementary to human microRNA 34 (miR-34) is described. Further, for the first time, we demonstrate the biological applications of TANA modified oligonucleotides in detection and intracellular knockdown of a cancer related microRNA in comparison with DNA containing locked nucleic acid (LNA) and 2{\textquoteright}-O-methyl modifications. The human microRNA miR-34 is a pro-apoptotic microRNA under the transcriptional control of protein 53 (p53). It gets expressed in response to DNA damage and regulates several cell cycle and apoptosis related targets. Here, we show that the TANA modified antisense oligonucleotide binds specifically to miR-34a, allowing its detection using primer extension. We also show that, using the TANA modified antisense oligonucleotide against miR-34a, intracellular levels of miR-34 can be reduced, and consequently, the expression of its target oncogene V-myc myelocytomatosis viral related oncogene, neuroblastoma derived (MYCN) is enhanced. Further, we assessed the toxicity and serum stability of the oligonucleotide to conclude that it is suitable for detection and modulation of the vital biomarker and tumor suppressor microRNA.

}, issn = {2159-3337}, doi = {10.1089/nat.2012.0411}, author = {Soni, Kartik and Gupta, Shivani and Gokhale, Sachin S. and Dey, Rakesh and Gunjal, Anita D. and Kumar, Vaijayanti A. and Pillai, Beena} } @article {43074, title = {Development and validation of a sensitive bioanalytical method for the determination of sumatriptan in rat plasma by UPLC-MS}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {5}, year = {2013}, month = {AUG}, pages = {78-82}, author = {Kumbhar, Amruta B. and Galgatte, Upendra C. and Warkad, Shrikant D. and Santhakumari, B.} } @article { ISI:000313812400012, title = {Development of a multifunctional catalyst for a {\textquoteleft}{\textquoteleft}relay{\textquoteright}{\textquoteright} reaction}, journal = {RSC Advances}, volume = {3}, number = {7}, year = {2013}, month = {DEC}, pages = {2186-2191}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In the area of catalysis, nanoparticles and enzymes are two of the most important systems. By amalgamating the two, we present here proof of the concept that it is possible to prepare a multifunctional catalyst that can carry out a {\textquoteleft}{\textquoteleft}relay{\textquoteright}{\textquoteright} reaction. The catalyst consists of a surface bound enzyme on a metal(core)-silica(shell) nanoparticle architecture. Here the enzyme catalyzes the 1st reaction and the metal nanoparticles act as a catalyst for the 2nd reaction of the product from the 1st reaction. In particular, we have studied the catalytic activity of glucosidase grafted Au@mSiO(2) on 4-nitrophenyl-beta-glucopyranoside, where glucosidase will catalyse the 1st step to generate 4-nitrophenol, which acts as a substrate for the next reduction step which is catalysed by the Au nanoparticles present inside the mesoporous silica shell.

}, issn = {2046-2069}, doi = {10.1039/c2ra22829g}, author = {Ganai, Anal Kumar and Shinde, Pravin and Dhar, Basab B. and Sen Gupta, Sayam and Bhagavatula L. V. Prasad} } @article { ISI:000318443400003, title = {Differential protease activity augments polyphagy in helicoverpa armigera}, journal = {Insect Molecular Biology}, volume = {22}, number = {3}, year = {2013}, month = {JUN}, pages = {258-272}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Helicoverpa armigera (Lepidoptera: Noctuidae) and other polyphagous agricultural pests are extending their plant host range and emerging as serious agents in restraining crop productivity. Dynamic regulation, coupled with a diversity of digestive and detoxifying enzymes, play a crucial role in the adaptation of polyphagous insects. To investigate the functional intricacy of serine proteases in the development and polyphagy of H.armigera, we profiled the expression of eight trypsin-like and four chymotrypsin-like phylogenetically diverse mRNAs from different life stages of H.armigera reared on nutritionally distinct host plants. These analyses revealed diet- and stage-specific protease expression patterns. The trypsins expressed showed structural variations, which might result in differential substrate specificity and interaction with inhibitors. Protease profiles in the presence of inhibitors and their mass spectrometric analyses revealed insight into their differential activity. These findings emphasize the differential expression of serine proteases and their consequences for digestive physiology in promoting polyphagy in H.armigera.

}, keywords = {adaptation, chymotrypsin, Helicoverpa armigera, polyphagy, Trypsin}, issn = {0962-1075}, doi = {10.1111/imb.12018}, author = {Chikate, Yojana R. and Tamhane, V. A. and Joshi, Rakesh S. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000315013200017, title = {Disordered mesoporous V/TiO2 system for ambient oxidation of sulfides to sulfoxides}, journal = {Applied Catalysis A-General}, volume = {452}, year = {2013}, month = {FEB}, pages = {132-138}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

High sulfide conversion and predominant sulfoxide yield has been observed with 0.1\% vanadium doped disordered mesoporous Ti1-xVxO2 material at ambient and sub ambient temperatures using environmentally green H2O2 oxidant. Ti1-xVxO2 materials were prepared by one-pot solution combustion method in less than 15 min and thoroughly characterized by X-ray diffraction, HRTEM, Raman spectra and other physicochemical techniques. Different sulfides, such as, phenylsulfide, methyl-p-tolylsulfide, ethylsulfide, thioanisole, were converted into the corresponding sulfoxide. Isolated V5+ incorporated in the TiO2 lattice is likely to be the active species for the sulfide oxidation reaction. Catalyst recycling studies indicates the robustness of the catalyst. (c) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Ambient oxidation, Combustion synthesis, heterogeneous catalysis, Hydrogen peroxide, Mesoporous TiO2, Sulfoxidation, Sulfoxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2012.11.035}, author = {Negi, Sanjay Singh and Sivaranjani, Kumarsrinivasan and Singh, Anand Pal and Gopinath, Chinnakonda S.} } @article { ISI:000319875500022, title = {Effect of phytase from aspergillus niger on plant growth and mineral assimilation in wheat (Triticum aestivum Linn.) and its potential for use as a soil amendment}, journal = {Journal of the Science of Food and Agriculture}, volume = {93}, number = {9}, year = {2013}, month = {JUL}, pages = {2242-2247}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Background Extensive use of non-replenishable phosphate reserves as phosphate supplements in agriculture and animal feed poses a threat for environmental pollution and necessitated a search for alternative phosphate sources. Unlocking the phytate phosphorus using microbial phytase can provide an ecofriendly solution in agriculture. The aim of the present work was to evaluate the effect of phytase from Aspergillus niger NCIM 563 in degradation of phytate phosphorus to benefit plant nutrition and soil amendment in comparison with chemical fertilizers. Results An enzyme dose of 12 IU was sufficient to hydrolyze phytate and increase assimilation of phosphorus by about 74\%. Phytase supplementation leads to increase in shoot:total length ratio by about 200\%, indicating its growth-promoting effect. Consistency in phytase-induced growth was reflected at pot and tray levels, wherein shoot:total length ratio was observed to be 2.01 and 2.12 respectively. Mineral assimilation due to phytase was more efficient as compared to chemical fertilizers, thus overcoming the constraints of practicability and economics in the agriculture industry. Phytase was efficient in reducing the phytic acid content of soil by about 30\% while simultaneously increasing the phytate phosphate availability by 1.18-fold. Conclusion Phytase from A. niger showed improvement in phytate phosphorus and mineral availability. Besides a plant growth-promoting effect, reduction in use of chemical fertilizers and soil improvement could be achieved simultaneously for maintaining the sustainability of agriculture. (c) 2012 Society of Chemical Industry

}, keywords = {mineral assimilation, Phytase, phytate degradation, plant growth promotion, soil amendment}, issn = {0022-5142}, doi = {10.1002/jsfa.6032}, author = {Gujar, Pradnya D. and Bhavsar, Kavita P. and Khire, Jayant Malhar} } @article { ISI:000317082100007, title = {Effective fragment potential method in Q-CHEM: a guide for users and developers}, journal = {Journal of Computational Chemistry}, volume = {34}, number = {12}, year = {2013}, month = {MAY}, pages = {1060-1070}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A detailed description of the implementation of the effective fragment potential (EFP) method in the Q-CHEM electronic structure package is presented. The Q-CHEM implementation interfaces EFP with standard quantum mechanical (QM) methods such as HartreeFock, density functional theory, perturbation theory, and coupled-cluster methods, as well as with methods for electronically excited and open-shell species, for example, configuration interaction, time-dependent density functional theory, and equation-of-motion coupled-cluster models. In addition to the QM/EFP functionality, a fragment-only feature is also available (when the system is described by effective fragments only). To aid further developments of the EFP methodology, a detailed description of the C++ classes and EFP module{\textquoteright}s workflow is presented. The EFP input structure and EFP job options are described. To assist setting up and performing EFP calculations, a collection of Perl service scripts is provided. The precomputed EFP parameters for standard fragments such as common solvents are stored in Q-CHEM{\textquoteright}s auxiliary library; they can be easily invoked, similar to specifying standard basis sets. The instructions for generating user-defined EFP parameters are given. Fragments positions can be specified by their center of mass coordinates and Euler angles. The interface with the IQMOL and WEBMO software is also described. (c) 2013 Wiley Periodicals, Inc.

}, keywords = {effective fragment potential, EFP library, hybrid QM, IQMOL, MM, modular code, nonempirical force field, Q-CHEM, WEBMO}, issn = {0192-8651}, doi = {10.1002/jcc.23223}, author = {Ghosh, Debashree and Kosenkov, Dmytro and Vanovschi, Vitalii and Flick, Joanna and Kaliman, Ilya and Shao, Yihan and Gilbert, Andrew T. B. and Krylov, Anna I. and Slipchenko, Lyudmila V.} } @article { ISI:000322343100023, title = {Electron rich porous extended framework as a heterogeneous catalyst for Diels-Alder reactions}, journal = {Chemical Communications}, volume = {49}, number = {67}, year = {2013}, month = {JUN}, pages = {7439-7441}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An electron rich porous metal-organic framework (MOF) has been synthesized, which acts as an effective heterogeneous catalyst for Diels-Alder reactions through encapsulation of the reactants in confined nano-channels of the framework.

}, issn = {1359-7345}, doi = {10.1039/c3cc43681k}, author = {Gole, Bappaditya and Bar, Arun Kumar and Mallick, Arijit and Banerjee, Rahul and Mukherjee, Partha Sarathi} } @article { ISI:000321481300045, title = {Enhanced electrochromic coloration in Ag nanoparticle decorated WO3 thin films}, journal = {Electrochimica Acta}, volume = {102}, year = {2013}, month = {JUL}, pages = {358-368}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

WO3/Ag composite thin films were prepared by microwave assisted sol-gel synthesis (MW-SGS) of WO3 followed by vacuum evaporation of Ag nanoparticles and their enhanced electrochromic coloration was investigated. The composition and morphology of WO3 thin films with different thickness of Ag layer obtained by vacuum evaporation were investigated. Distinct plasmon absorption bands of Ag nanoparticle thin films were obtained. The optical band gap energy of WO3/Ag films decreased with increasing the Ag layer thickness. The surface of these films has been examined using X-ray photoelectron spectroscopy (XPS) to gain information about the chemical states of species present at surfaces. Experimental results indicated that the conductivity of the films increased after surface modification by Ag layer. To investigate the origin of enhanced electrochromic absorption in optical properties, working electrode consisting of WO3/Ag thin film was used and observed the optical properties during electrochemical reaction. It was found that composite electrode shows enhancement in electrochromic properties in terms of optical modulation (Delta OD) and coloration efficiency (eta). (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Ag2WO4, CIE coordinates, Electrochromism, SPR, WO3/Ag composite thin films}, issn = {0013-4686}, doi = {10.1016/j.electacta.2013.03.123}, author = {Kharade, Rohini R. and Mali, Sawanta S. and Patil, Satish P. and Patil, Kashinath R. and Gang, Myong G. and Patil, Pramod S. and Kim, Jin H. and Bhosale, Popatrao N.} } @article { ISI:000327459400021, title = {Environmentally benign enhanced H-2 production from abundant copious waste H2S using size tuneable cubic bismuth (Bi-0) quantum dots-GeO2 glass photocatalyst under solar light}, journal = {Green Chemistry}, volume = {15}, number = {12}, year = {2013}, month = {OCT}, pages = {3459-3467}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Hydrogen sulfide is a copious gas produced in refineries (15-20\%) as well as billions of tons produced as a by-product in alkali industries. Selectively, only 5\% has been utilised for the Claus process to produce liquid sulfur and it is also well known for its uneconomical and environmental problems. Here, we have demonstrated a significant green approach for conversion of poisonous H2S into H-2 by stable cubic bismuth (Bi-0) quantum dot-glass nanosystems using solar light as the energy source. Previously, metal oxides and sulfides have been demonstrated as solar light photocatalysts. However, a unique bismuth quantum dot-glass nanosystem has been designed where cubic phase bismuth quantum dots of size 1-2 nm are grown in the germanate glass matrix successfully. The presence of bismuth (Bi-0) was confirmed by XRD, Raman, TEM and X-ray photoelectron spectroscopy (XPS). The glass nanosystem shows quantum confinement with variation of the band gap from 2.95-1.51 eV. Considering the broad absorption from visible to near IR, we used this glass nanosystem as a solar light active photocatalyst and hydrogen production with respect to the quantum confinement of bismuth (Bi-0) quantum dots has been demonstrated for the first time. The photocatalytic activity for hydrogen production using glass nano-systems having bismuth quantum dot sizes of 1-2 nm and 3-6 nm was measured under solar light and prima fascia observations revealed that the glass nanosystems with very small quantum dots (1-2 nm) showed enhanced hydrogen evolution (11 541 mu mol h(-1) g(-1)) from H2S. The hydrogen evolution obtained is much higher than for previously reported visible light active nanostructured sulfide/oxide or embedded glass nanosystems. The glass nanosystems were also used for water splitting and show evolution of hydrogen without any co-catalyst. It is noteworthy that the quantum dot-glass photocatalyst is highly stable and catalyst regeneration is quite easy and fast. Hence, the QD-bismuth-glass nanocomposites have significant advantages over normal nanosized powder catalysts. Such unique glass nanosystems will also have great potential in photonics and optoelectronic applications.

}, issn = {1463-9262}, doi = {10.1039/c3gc41940a}, author = {Apte, Sanjay K. and Garaje, Sunil N. and Naik, Sonali D. and Waichal, Rupali P. and Kale, Bharat B.} } @article { ISI:000328182900006, title = {Ester vs. amide on folding: a case study with a 2-residue synthetic peptide}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {48}, year = {2013}, month = {DEC}, pages = {8348-8356}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Although known for their inferiority as hydrogen-bonding acceptors when compared to amides, esters are often found at the C-terminus of peptides and synthetic oligomers (foldamers), presumably due to the synthetic readiness with which they are obtained using protected peptide coupling, deploying amino acid esters at the C-terminus. When the H-bonding interactions deviate from regularity at the termini, peptide chains tend to {\textquoteleft}{\textquoteleft}fray apart{\textquoteright}{\textquoteright}. However, the individual contributions of C-terminal esters in causing peptide chain end-fraying goes often unnoticed, particularly due to diverse competing effects emanating from large peptide chains. Herein, we describe a striking case of a comparison of the individual contributions of C-terminal ester vs. amide carbonyl as a H-bonding acceptor in the folding of a peptide. A simple two-residue peptide fold has been used as a testing case to demonstrate that amide carbonyl is far superior to ester carbonyl in promoting peptide folding, alienating end-fraying. This finding would have a bearing on the fundamental understanding of the individual contributions of stabilizing/destabilizing non-covalent interactions in peptide folding.

}, issn = {1477-0520}, doi = {10.1039/c3ob41967c}, author = {Vijayadas, Kuruppanthara N. and Nair, Roshna V. and Gawade, Rupesh L. and Kotmale, Amol S. and Prabhakaran, Panchami and Gonnade, Rajesh G. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article {42806, title = {Evaluation of viability of halogen{\textbullet}{\textbullet}{\textbullet}O2N interactions: insight form crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups}, journal = {CrystEngComm}, volume = {15}, year = {2013}, month = {APR}, pages = {5283-5300}, abstract = {

A series of isomeric triaryl compounds with a modular positioning of the halogen and NO2 groups have been synthesized by the azide{\textendash}alkyne {\textquotedblleft}click reaction{\textquotedblright} and have been characterized by single crystal X-ray structure analysis. This isomeric series has provided an opportunity for understanding the efficiency of the bifurcated halogen...NO2 synthon in the organization of the molecules in the crystalline lattice. The changes in molecular conformation, crystal packing and supramolecular aggregation due to the change in the relative positioning of the complementary groups, halogen atom and the NO2 group on ring A and ring C respectively, have been discussed. All the isomers synthesized are crystalline and establish the triazole as a reliable linker for crystal engineering oriented molecular synthesis. The 2-NO2 derivatives display in general, a helical architecture and 3-NO2 derivatives exhibit a centrosymmetric dimeric assembly via the complementary C{\textendash}H...O interactions leading to either a helical or a 2-dimensional sheet pattern. The molecular organization in 4-NO2 derivatives revealed in general a 2D sheet pattern.

}, doi = {10.1039/C3CE40192H}, author = {Ramana, Chepuri V. and Goriya, Yogesh and Durugkar, Kulbhushan A. and Chatterjee, Soumitra and Krishnaswamy, Shobhana and Gonnade, Rajesh G.} } @article { ISI:000326126000033, title = {Exclusion from hexagonal mesophase surfactant domains drives end-to-end enchainment of rod-like particles}, journal = {Journal of Physical Chemistry B}, volume = {117}, number = {41}, year = {2013}, month = {OCT}, pages = {12661-12668}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Anisotropic rod-like particles assemble end-to-end when the surfactant/water matrix in which they are dispersed is cooled from the isotropic to the lyotropic hexagonal phase. We demonstrate the formation of such end-to-end assemblies for gold nanorods, which are tens of nanometers in size, as well as for micrometer-sized ellipsoidal polystyrene particles. In both cases, the particles are well-dispersed in the low-viscosity surfactant/water phase above the isotropic-H-1 transition temperature. On cooling into the H-1 phase, mesophase domains form and the particles are expelled to the isotropic phase. As the H-1 domains grow and finally impinge, the particles are localized at the domain boundaries where they reorient and assemble end-to-end. Remarkably, we observe the formation of end-to-end assemblies of gold nanorods even for volume fractions as low as 2 x 10(-6) in the initially dispersed state. The extent of particle {\textquoteleft}{\textquoteleft}enchainment{\textquoteright}{\textquoteright} increases with the particle concentration and with the aspect ratio of the particles.

}, issn = {1520-6106}, doi = {10.1021/jp407403a}, author = {Sharma, Kamendra P. and Ganai, Anal Kumar and Sen, Debasis and Bhagavatula L. V. Prasad and Kumaraswamy, Guruswamy} } @article { ISI:000319006300007, title = {Extended coupled cluster through nth perturbation order for molecular response properties: a comparative study}, journal = {Chemical Physics}, volume = {417}, year = {2013}, month = {MAY}, pages = {45-51}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In this paper, we have presented and analyzed the extended coupled cluster (ECC) energy functional, truncated up to nth perturbation order in which expansion is limit to operators of the single and double excitations. The expression for the first order energy derivatives based on the above truncation schemes has been derived and numerically analyzed. We have done a comparative study for dipole moment in various perturbative ECC (n) methods (2 \<= n \<= 5) for three systems (HF, H2O and BH) at equilibrium geometry. We have particularly studied two variants of ECC (4) and ECC (5*) method for stretched geometry. We have analyzed the contribution of important terms present in ECC functional based on perturbative argument. We have compared our results with standard coupled cluster (CCSD) as well as cubic truncated ECC and also benchmarked with the full CI results wherever available. (c) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Dipole moment, Energy functional, Extended coupled cluster}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2013.03.012}, author = {Gupta, Jitendra and Manohar, Prashant Uday and Ghosh, Aryya and Vaval, Nayana and Pal, Sourav} } @article { ISI:000314807800001, title = {Ferromagnetism in metal oxide systems: interfaces, dopants, and defects}, journal = {Journal of Materials Chemistry C}, volume = {1}, number = {8}, year = {2013}, month = {DEC}, pages = {1545-1557}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Ferromagnetism in metal oxide systems has always attracted scientific attention in view of the intriguing and interesting interplay of spin, charge, orbital and lattice degrees of freedom that such systems display. This trend appears to be continuing with enhanced focus on interface systems, multiferroics, diluted magnetic semiconducting oxides (DMSOs) and nanomaterial magnetism. Newer techniques are being applied to bring out materials issues that are critical to the precise understanding of the origin of magnetism in certain cases. Interest is also beginning to grow in exploring application potential of some such systems. In this article we review the developments in this field by late 2011 and 2012.

}, issn = {2050-7526}, doi = {10.1039/c2tc00172a}, author = {Thakare, Vishal P. and Game, Onkar S. and Ogale, Satishchandra B.} } @article { ISI:000328864800072, title = {First total synthesis of hunanamycin A}, journal = {Organic Letters}, volume = {15}, number = {17}, year = {2013}, month = {SEP}, pages = {4556-4559}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of hunanamycin A, an antibiotic natural product with a pyrido[1,2,3-de]quinoxaline-2,3-dione core from a marine-derived Bacillus hunanensis, is disclosed. The present effort provides access to sufficient amounts of scarce hunanamycin A for further biological evaluation and confirmation of the assigned absolute configuration. In addition, four new analogues of the natural product are reported.

}, issn = {1523-7060}, doi = {10.1021/ol402110e}, author = {Shingare, Rahul D. and Velayudham, R. and Gawade, Jalindar R. and Reddy, D. Srinivasa} } @article { ISI:000316691100012, title = {Fluorescent sophorolipid molecular assembly and its magnetic nanoparticle loading: a pulsed laser process}, journal = {Green Chemistry}, volume = {15}, number = {4}, year = {2013}, month = {JAN}, pages = {943-953}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report realization of strong green fluorescence in a fully biocompatible highly spherical mesoscale molecular assembly of sophorolipid created by pulsed UV laser processing of a water-based dispersion of sophorolipid. Remarkably, the said fluorescence is totally absent in the original molecule of sophorolipid and is thus the property of the pulsed laser induced modifications in the molecule and the assembly. We have separately examined the consequences of laser irradiation for glucose and oleic acid components which form the sophorolipid. This fluorescence character appears to be driven by the oleic acid component while the assembly process is assisted by the glucose component. Importantly the laser synthesized mesostructures can be easily redispersed in an aqueous medium after being dried and can also be loaded with magnetic nanoparticles (magnetite) for inducing the hyperthermia effect.

}, issn = {1463-9262}, doi = {10.1039/c3gc40108a}, author = {Singh, Pradeep Kumar and Mukherji, Ruchira and Joshi-Navare, Kasturi and Banerjee, Abhik and Gokhale, Rohan and Nagane, Satyawan and Prabhune, Asmita and Ogale, Satishchandra} } @article { ISI:000314795300042, title = {Four 3D Cd(II)-based metal organic hybrids with different N,N {\textquoteleft}-donor spacers: syntheses, characterizations, and selective gas adsorption properties}, journal = {Crystal Growth \& Design}, volume = {13}, number = {2}, year = {2013}, month = {FEB}, pages = {731-739}, abstract = {

{Four new metal organic frameworks with bivalent cadmium, disodium succinate (Na(2)suc), and four different N,N{\textquoteright}-donor ligands, i.e., {[Cd(L1)(suc)]center dot(H2O)(3)}(n) (1), {[Cd(L2)(suc)]center dot(H2O)(2)\

}, author = {Bhattacharya, Biswajit and Dey, Rajdip and Pachfule, Pradip and Banerjee, Rahul and Ghoshal, Debajyoti} } @article { ISI:000319027400029, title = {Functional and disordered meso-macroporous gamma-Al2-xMxO3 +/- y (M = Cu and/or Ce)}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {13}, number = {4, SI}, year = {2013}, month = {APR}, pages = {2682-2688}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {Disordered meso-macro porous Cu-Ce-Al2O3 nanocomposite (gamma-Al2-xMxO3 +/- y, M = Cu and or Ce) with different compositions has been synthesized. In situ templated sol-gel method has been adopted with simple EDTA ethylenediamine tetra aceticacid and ethylenediamine molecules to prepare gamma-Al2-xMxO3 +/- y, (M = Cu and or Ce). Above meso-macro porous materials were characterized by structural, spectroscopy, microscopy and textural techniques. Detailed characterization indicates that Cu2+ ions are introduced into the ceria and alumina lattice positions. Nano composite nature of the gamma-Al2-xMxO3 +/- y has been confirmed by detailed microscopy investigations. Catalytic activity of the above nanocomposite materials have been screened for environmentally important CO oxidation reaction. 30\% Ce-60\% Al and 10\% Cu containing material shows the best activity among other meso-nnacroporous material with (50\%) 100\% CO oxidation at (107 degrees C) 145 degrees C.}, keywords = {Alumina, CO oxidation, heterogeneous catalysis, Meso-Macroporous Material, Nanocomposite, Sol-gel synthesis}, issn = {1533-4880}, doi = {10.1166/jnn.2013.7384}, author = {Gnanakumar, Edwin S. and John, Jino C. and Raja, Thirumalaiswamy and Gopinath, Chinnakonda S.} } @article { ISI:000316759800020, title = {Genome-wide identification and characterization of microRNA genes and their targets in flax (Linum usitatissimum)}, journal = {Planta}, volume = {237}, number = {4}, year = {2013}, month = {APR}, pages = {1149-1161}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

MicroRNAs (miRNAs) are small (20-24 nucleotide long) endogenous regulatory RNAs that play important roles in plant growth and development. They regulate gene expression at the post-transcriptional level by translational repression or target degradation and gene silencing. In this study, we identified 116 conserved miRNAs belonging to 23 families from the flax (Linum usitatissimum L.) genome using a computational approach. The precursor miRNAs varied in length; while most of the mature miRNAs were 21 nucleotide long, intergenic and showed conserved signatures of RNA polymerase II transcripts in their upstream regions. Promoter region analysis of the flax miRNA genes indicated prevalence of MYB transcription factor binding sites. Four miRNA gene clusters containing members of three phylogenetic groups were identified. Further, 142 target genes were predicted for these miRNAs and most of these represent transcriptional regulators. The miRNA encoding genes were expressed in diverse tissues as determined by digital expression analysis as well as real-time PCR. The expression of fourteen miRNAs and nine target genes was independently validated using the quantitative reverse transcription PCR (qRT-PCR). This study suggests that a large number of conserved plant miRNAs are also found in flax and these may play important roles in growth and development of flax.

}, keywords = {Digital expression analysis, Gene cluster, Linseed, miRNA, MiRNA target transcript, Promoter analysis}, issn = {0032-0935}, doi = {10.1007/s00425-012-1833-5}, author = {Barvkar, Vitthal T. and Pardeshi, Varsha C. and Kale, Sandip M. and Qiu, Shuqing and Rollins, Meaghen and Datla, Raju and Gupta, Vidya S. and Kadoo, Narendra Y.} } @article { ISI:000316557400002, title = {Genome-wide identification and characterization of nucleotide binding site leucine-rich repeat genes in linseed reveal distinct patterns of gene structure}, journal = {Genome}, volume = {56}, number = {2}, year = {2013}, month = {FEB}, pages = {91-99}, publisher = {CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS}, address = {1200 MONTREAL ROAD, BUILDING M-55, OTTAWA, ON K1A 0R6, CANADA}, abstract = {

Plants employ different disease-resistance genes to detect pathogens and to induce defense responses. The largest class of these genes encodes proteins with nucleotide binding site (NBS) and leucine-rich repeat (LRR) domains. To identify the putative NBS-LRR encoding genes from linseed, we analyzed the recently published linseed genome sequence and identified 147 NBS-LRR genes. The NBS domain was used for phylogeny construction and these genes were classified into two well-known families, non-TIR (CNL) and TIR related (TNL), and formed eight clades in the neighbor-joining bootstrap tree. Eight different gene structures were observed among these genes. An unusual domain arrangement was observed in the TNL family members, predominantly in the TNL-5 clade members belonging to class D. About 12\% of the genes observed were linseed specific. The study indicated that the linseed genes probably have an ancient origin with few progenitor genes. Quantitative expression analysis of five genes showed inducible expression. The in silico expression evidence was obtained for a few of these genes, and the expression was not correlated with the presence of any particular regulatory element or with unusual domain arrangement in those genes. This study will help in understanding the evolution of these genes, the development of disease resistant varieties, and the mechanism of disease resistance in linseed.

}, keywords = {Flax, in silico gene expression, motif analysis, NBS-LRR, Phylogenetic analysis, Promoter analysis}, issn = {0831-2796}, doi = {10.1139/gen-2012-0135}, author = {Kale, Sandip M. and Pardeshi, Varsha C. and Barvkar, Vitthal T. and Gupta, Vidya S. and Kadoo, Narendra Y.} } @article { ISI:000327259400008, title = {Glucose oxidase conjugated H2O2 sensitive CdTe QDs: an effective fluorescence tool for glucose sensing}, journal = {Journal of Materials Chemistry B}, volume = {1}, number = {47}, year = {2013}, month = {OCT}, pages = {6538-6543}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Water-soluble quantum dots (QDs) are extensively used for molecular sensing because of the flexibility they offer in terms of modification of the QDs surface with a variety of functional groups using thiol chemistry and monitoring by fluorescence intensity. We describe a simple assay that allows the photoluminescence (PL) detection of H2O2 and glucose in aqueous samples and demonstrate its applicability by estimating glucose in blood. To enable the glucose detection, we functionalized the 3-mercaptopropanoic acid (MPA) capped CdTe QDs with glucose oxidase (GOx), the enzyme specific to b-D-glucose, using carbodiimide chemistry. The fluorescence of the GOx-functionalized CdTe QDs was quenched on the interaction with glucose. The same photoluminescence quenching was also observed in gel form, when a GOx modified CdTe QDs loaded agarose gel was dipped in H2O2 and glucose solutions, respectively.

}, issn = {2050-750X}, doi = {10.1039/c3tb21164a}, author = {Singh, Pooja and Prabhune, Asmita and Ogale, Satishchandra B. and Guin, Debanjan} } @article { ISI:000313903700015, title = {Glycated proteome: from reaction to intervention}, journal = {Proteomics Clinical Applications}, volume = {7}, number = {1-2, SI}, year = {2013}, month = {JAN}, pages = {155-170}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Glycation, a nonenzymatic reaction between reducing sugars and proteins, is a proteome wide phenomenon, predominantly observed in diabetes due to hyperglycemia. Glycated proteome of plasma, kidney, lens, and brain are implicated in the pathogenesis of various diseases, including diabetic complications, neurodegenerative diseases, cancer, and aging. This review discusses the strategies to characterize protein glycation, its functional implications in different diseases, and intervention strategies to protect the deleterious effects of protein glycation.

}, keywords = {aging, Diabetes, Glycation, RAGE}, issn = {1862-8346}, doi = {10.1002/prca.201200101}, author = {Kulkarni, Mahesh J. and Korwar, Arvind M. and Mary, Sheon and Bhonsle, Hemangi S. and Giri, Ashok P.} } @article { ISI:000327053200023, title = {High-resolution outgoing longwave radiation dataset from Kalpana-1 satellite during 2004-2012}, journal = {Current Science}, volume = {105}, number = {8}, year = {2013}, month = {OCT}, pages = {1124-1133}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Long record of high-resolution quality-controlled outgoing longwave radiation (OLR) from geostationary platforms like Kalpana-1 has the potential not only to provide detailed information of cloud types contributing to the measure of rain, but also helps unravel convective cloud organization in the tropics from small scale to meso- and synoptic scales. A research quality product of three hourly OLR for the period May 2004 June 2012 is produced from Kalpana-1 very high resolution radiometer (VHRR) radiances over the Indian region (40 degrees S-40 degrees N, 25-125 degrees E) in a regular grid of 0.25 x 0.25 degrees. The quality and usefulness of the dataset is demonstrated here using some illustrative examples. Although these data are available for a relatively short-period, it is shown that they will be potentially more useful than the widely used OLR from NOAA satellites in representing the annual cycles, particularly over the desert and humid oceans, due to their frequent sampling and quality. The active-break periods in the Indian summer monsoon picked up by both the OLR match well. This three hourly OLR estimated from Kalpana-1 VHRR is able to describe the fine-scale structure of the diurnal variation over the region.

}, keywords = {Active break periods, diurnal variation, geostationary platforms, outgoing longwave radiation}, issn = {0011-3891}, author = {Mahakur, M. and Prabhu, A. and Sharma, A. K. and Rao, V. R. and Senroy, S. and Singh, Randhir and Goswami, B. N.} } @article { ISI:000327805400022, title = {Human mitochondrial NDUFS3 protein bearing leigh syndrome mutation is more prone to aggregation than its wild-type}, journal = {Biochimie}, volume = {95}, number = {12}, year = {2013}, month = {DEC}, pages = {2392-2403}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

NDUFS3 is an integral subunit of the Q module of the mitochondrial respiratory Complex-I. The combined mutation (T145I + R199W) in the subunit is reported to cause optic atrophy and Leigh syndrome accompanied by severe Complex-I deficiency. In the present study, we have cloned and overexpressed the human NDUFS3 subunit and its double mutant in a soluble form in Escherichia coli. The wild-type (w-t) and mutant proteins were purified to homogeneity through a serial two-step chromatographic purification procedure of anion exchange followed by size exclusion chromatography. The integrity and purity of the purified proteins was confirmed by Western blot analysis and MALDI-TOF/TOF. The conformational transitions of the purified subunits were studied through steady state as well as time resolved fluorescence and CD spectroscopy under various denaturing conditions. The mutant protein showed altered polarity around tryptophan residues, changed quenching parameters and also noticeably altered secondary and tertiary structure compared to the w-t protein. Mutant also exhibited a higher tendency than the w-t protein for aggregation which was examined using fluorescent (Thioflavin-T) and spectroscopic (Congo red) dye binding techniques. The pH stability of the w-t and mutant proteins varied at extreme acidic pH and the molten globule like structure of w-t at pH1 was absent in case of the mutant protein. Both the w-t and mutant proteins showed multi-step thermal and Gdn-HCI induced unfolding. Thus, the results provide insight into the alterations of NDUFS3 protein structure caused by the mutations, affecting the overall integrity of the protein and finally leading to disruption of Complex-I assembly. (C) 2013 Elsevier Masson SAS. All rights reserved.

}, keywords = {Aggregation Fluorescence lifetime, Complex-I, Leigh syndrome, NDUFS3}, issn = {0300-9084}, doi = {10.1016/j.biochi.2013.08.032}, author = {Jaokar, Tulika M. and Patil, Deepak P. and Shouche, Yogesh S. and Gaikwad, Sushama M. and Suresh, C. G.} } @article { ISI:000328437200053, title = {Hydrolytic conversion of a metal-organic polyhedron into a metal-organic framework}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {51}, year = {2013}, month = {DEC}, pages = {13755-13759}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {cage compounds, crystal engineering, hydrophobic effect, metal-organic frameworks, Self-assembly}, issn = {1433-7851}, doi = {10.1002/anie.201307486}, author = {Mallick, Arijit and Garai, Bikash and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000317399600014, title = {Hydrophobic and hydrophilic balance and its effect on mesophase behaviour in hydroxyalkyl ethers of methyl glucopyranoside}, journal = {Chemistry-A European Journal}, volume = {19}, number = {16}, year = {2013}, month = {APR}, pages = {5041-5049}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Four series of monosubstituted methyl -D-glucopyranoside hydroxyalkyl ethers were prepared and their thermotropic and lyotropic self-organising properties were investigated in terms of the hydrophobichydrophilic balance with respect to their molecular structures. The results obtained lead us to a new understanding of the forces that drive the formation of condensed soft-matter phases.

}, keywords = {carbohydrates, liquid crystals, mesophases, Self-assembly, soft matter}, issn = {0947-6539}, doi = {10.1002/chem.201202933}, author = {Singh, Madan K. and Xu, Rui and Moebs, Sylvie and Kumar, Anil and Queneau, Yves and Cowling, Stephen J. and Goodby, John W.} } @article { ISI:000318939700024, title = {Hydroxyapatite supported palladium catalysts for suzuki-miyaura cross-coupling reaction in aqueous medium}, journal = {Catalysis Science \& Technology}, volume = {3}, number = {6}, year = {2013}, month = {MAR}, pages = {1625-1633}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Supported palladium catalyst 1 has been prepared by the immobilisation of [Pd(COD)Cl-2] (COD = 1,5-cyclooctadiene) on hydroxyapatite. Catalyst 2 has been prepared by subsequent reduction of catalyst 1 with sodium borohydride in ethanol. Under similar reaction conditions, catalyst 1 with Pd2+, is found to be almost five times more active than 2. Using 1 as the catalyst and water as the solvent, reaction conditions for Suzuki-Miyaura cross-coupling reactions have been optimised under aerobic conditions. The best catalytic activities are observed in the presence of potassium carbonate as the base and tetrabutylammonium bromide as a promoter. Catalyst 1 has been tested for catalytic cross-coupling reactions with sixteen different, electronically neutral, electron rich, electron poor and sterically hindered aryl boronic acids, and several different aryl halides including aryl chlorides. More than thousand turnovers and high selectivities to the hetero-coupled products have been observed in most cases. For many substrates the turnovers with 1 are notably more than what has been reported with other supported catalysts in water. The recyclability and scale-up potential of catalyst 1 have been tested and found to be satisfactory. A negligible drop in activity is observed over ten recycles with an accumulated turnover number of similar to 30000.

}, issn = {2044-4753}, doi = {10.1039/c3cy00160a}, author = {Indra, Arindam and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000324316300042, title = {Identification of molecular crystals capable of undergoing an acyl-transfer reaction based on intermolecular interactions in the crystal lattice}, journal = {Chemistry-A European Journal}, volume = {19}, number = {38}, year = {2013}, month = {SEP}, pages = {12867-12874}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Investigation of the intermolecular acyl-transfer reactivity in molecular crystals of myo-inositol orthoester derivatives and its correlation with crystal structures enabled us to identify the essential parameters to support efficient acyl-transfer reactions in crystals: 1)the favorable geometry of the nucleophile (OH) and the electrophile (CO) and 2)the molecular assembly, reinforced by CH interactions, which supports a domino-type reaction in crystals. These parameters were used to identify another reactive crystal through a data-mining study of the Cambridge Structural Database. A 2:1 co-crystal of 2,3-naphthalene diol and its di-p-methylbenzoate was selected as a potentially reactive crystal and its reactivity was tested by heating the co-crystals in the presence of solid sodium carbonate. A facile intermolecular p-toluoyl group transfer was observed as predicted. The successful identification of reactive crystals opens up a new method for the detection of molecular crystals capable of exhibiting acyl-transfer reactivity.

}, keywords = {Acylation, domino reactions, intermolecular interactions, solid-state reactions, X-ray diffraction}, issn = {0947-6539}, doi = {10.1002/chem.201301058}, author = {Tamboli, Majid I. and Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article {42654, title = {Interatomic coulombic decay in (HF)n,(n=2-3) clusters using CAP/EOM-CCSD method}, journal = {Molecular Physics}, volume = {112}, year = {2013}, month = {NOV}, pages = {669-673}, type = {Article}, abstract = {

The equation-of-motion coupled-cluster method along with the complex absorbing potential has been applied to study the interatomic Coulombic decay mechanism in hydrogen-bonded clusters. We have applied this method to calculate the lifetime of the F 2s inner-valence ionised state of (HF)(n) (n = 2-3) clusters. The lifetime is found to be very short and decreases substantially with increasing the number of HF monomer.

}, keywords = {complex absorbing potential (CAP), equation-of-motion coupled-cluster (EOM-CC), HF clusters, interatomic Coulombic decay (ICD)}, issn = {0026-8976}, doi = {10.1080/00268976.2013.852263}, author = {Ghosh, Aryya and Pal, Sourav and Vaval, Nayana} } @article { ISI:000324758700022, title = {Interfacial charge recombination of Os(II)-polypyridyl-resorcinol complex on oleic acid capped TiO2 surface: what determines the dynamics?}, journal = {New Journal of Chemistry}, volume = {37}, number = {10}, year = {2013}, month = {JUL}, pages = {3100-3108}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Femtosecond transient absorption spectroscopic studies of an osmium(II)-polypyridyl-resorcinol complex, 1, on oleic acid capped TiO2 have been carried out and the results have been compared with our previous studies on poly(vinyl) alcohol capped TiO2. While on both these surfaces the complex exhibits a single exponential \<120 fs injection, the back electron transfer reaction is slower on the oleic acid capped TiO2 surface early on while it is faster on the same surface at longer times than on poly(vinyl)alcohol capped TiO2. The probable origin of these disparate observations has been analyzed.

}, issn = {1144-0546}, doi = {10.1039/c3nj00550j}, author = {Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000325949600005, title = {Kinetics and thermodynamics of glycans and glycoproteins binding to holothuria scabra lectin: a fluorescence and surface plasmon resonance spectroscopic study}, journal = {Journal of Fluorescence}, volume = {23}, number = {6}, year = {2013}, month = {NOV}, pages = {1147-1155}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Holothuria scabra produces a monomeric lectin (HSL) of 182 kDa. HSL showed strong antibacterial activity and induced bacterial agglutination under in vitro conditions, indicating its role in animals{\textquoteright} innate immune responses. Very few lectins have been reported from echinoderms and none of these lectins have been explored in detail for their sugar-binding kinetics. Affinity, kinetics and thermodynamic analysis of glycans and glycoproteins binding to HSL were studied by fluorescence and surface plasmon resonance spectroscopy. Lectin binds with higher affinity to O-linked than N-linked asialo glycans, and the affinities were relatively higher than that for sialated glycans and glycoproteins. T-antigen alpha-methyl glycoside was the most potent ligand having the highest affinity (Ka 8.32 x10(7) M-1). Thermodynamic and kinetic analysis indicated that the binding of galactosyl Tn-antigen and asialo glycans is accompanied by an enthalpic contribution in addition to higher association rate coupled by low activation energy for the association process. Presence of sialic acid or protein matrix inhibits binding. Higher affinity of HSL for O-glycans than N-glycans had biological implications; since HSL specifically recognizes bacteria, which have mucin or O-glycan cognate on their cell surfaces and play a major role in animal innate immunity. Since, HSL had higher affinity to T-antigen, makes it a useful tool for cancer diagnostic purpose.

}, keywords = {Holothuria scabra, Kinetic analysis, Lectin, Surface plasmon resonance spectroscopy, Thermodynamic properties}, issn = {1053-0509}, doi = {10.1007/s10895-013-1244-4}, author = {Gowda, Nagaraj M. and Gaikwad, Sushama M. and Khan, Mohammad Islam} } @article { ISI:000323509900012, title = {Lagrange multiplier approach for excited state properties through intermediate hamiltonian formulation of fock space multireference coupled-cluster theory}, journal = {Journal of Chemical Physics}, volume = {139}, number = {7}, year = {2013}, month = {AUG}, pages = {074108}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

In this paper, we present a formulation based on Lagrange multiplier approach for efficient evaluation of excited state energy derivatives in Fock space coupled cluster theory within the intermediate Hamiltonian framework. The formulation is applied to derive the explicit generic expressions up to second order energy derivatives for [1, 1] sector of Fock space with singles and doubles approximation. Its advantage, efficiency, and interconnection in comparison to the Lagrange multiplier approach in traditional formulation of Fock space, which is built on the concept of Bloch equation based effective Hamiltonian, has been discussed. Computational strategy for their implementation has also been discussed in some detail. (C) 2013 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4817943}, author = {Gupta, Jitendra and Vaval, Nayana and Pal, Sourav} } @article { ISI:000328437300022, title = {Large centimeter-sized macroporous ferritin gels as versatile nanoreactors}, journal = {Chemistry of Materials}, volume = {25}, number = {23}, year = {2013}, month = {DEC}, pages = {4813-4819}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Organized assemblies of bionanoparticles such as ferritin provides templates that can be exploited for nanotechnological applications. Organization of ferritin into well-defined three-dimensional assemblies is challenging and has attracted considerable attention recently. We have synthesized, for the first time, large (centimeter-sized) self-standing macroporous scaffold monoliths from ferritin bionanoparticles, using dynamic templating of surfactant H-1 domains. These scaffolds comprise three-dimensionally connected strands of ferritin, organized as a porous gel with porosity similar to 55 mu m. The iron oxide inside the ferritin scaffold can be easily replaced with catalytically active monodisperse zerovalent transition metal nanoparticles using a very simple protocol. Since the ferritin is cross-linked in the scaffold, it is significantly robust with enhanced thermal stability and better tolerance toward several organic solvents in Comparison to the native ferritin bionanoparticle. In addition, the scaffold macropores facilitate substrate and reagent transport and hence the monoliths containing active Pd or iron oxide nanoparticles inside apo-ferritin bionanoparticles were used as a recyclable heterogeneous catalyst for the oxidation of 2,3,6-trimethyl phenol to 2,3,6-trimethyl-1,4-benzoquinone (precursor for Vitamin E synthesis) and for Suzuki-Miyaura cross-coupling reaction in both aqueous and organic solvents. The protein shell around the nanoparticles protects them from agglomeration, a phenomenon that otherwise plagues nanoparticles-based catalysis. The presence of macropores allow the ferritin scaffold to act as catalytic monolith for continuous flow reactions having rapid reaction rates, while offering a low pressure drop. Finally, the Pd@apo-ferritin scaffold was immobilized inside a steel cartridge and used for the continuous flow hydrogenation of alkenes to their corresponding alkanes for 15 cycles without any loss of activity.

}, keywords = {catalysis, continuous flow, ferritin, gel, macroporous materials, Self-assembly}, issn = {0897-4756}, doi = {10.1021/cm403240j}, author = {Kumari, Sushma and Kulkarni, Amol and Kumaraswamy, Guruswamy and Sen Gupta, Sayam} } @article { ISI:000322432600012, title = {Magnetically separable single-site Ti-Fe3O4@MCM-41 catalyst for selective epoxidation of olefins}, journal = {Industrial \& Engineering Chemistry Research}, volume = {52}, number = {29}, year = {2013}, month = {JUL}, pages = {9803-9811}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Magnetically separable Ti-Fe3O4@MCM-41 (Ti-MS) catalysts were prepared by postgrafting Ti with varying loading on mesoporous silica containing dispersed magnetite. The hexagonal structure of Ti-MS catalysts with a periodicity in the pores and a highly ordered hexagonal matrix was established by X-ray diffraction and transmission electron microscopy, while diffuse reflectance UV showed the isolated tetrahedral Ti species coordinated with O2-. From the Fourier transform infrared studies, the extent of Ti-O-Si linkage was found to increase with increase in Ti-loading from 1 to 5 wt \%beyond which (10\%), the intensity of Ti-O-Si band decreased due to the polymerization of the Ti on the silica surface. Silanol groups on the surface of silica interact with the precursor Ti((OPr)-Pr-i)(4) to give site isolated tetrahedral Ti-species responsible for complete selectivity to the epoxide in the epoxidation of cyclooctene. The magnetic property facilitated easy recovery of the catalyst for its successful eight recycles showing its stability under reaction conditions.

}, issn = {0888-5885}, doi = {10.1021/ie4013248}, author = {Jha, Ajay and Patil, Chetana R. and Garade, Ajit C. and Rode, Chandrashekhar V.} } @article { ISI:000317945100020, title = {Metal cation-exchanged montmorillonite clay as catalysts for hydroxyalkylation reaction}, journal = {Applied Clay Science}, volume = {74}, number = {SI}, year = {2013}, month = {APR}, pages = {141-146}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Several solid acid catalysts were prepared by exchanging metal cations such as Zn2+, Fe3+ and Al3+ with montmorillonite clay. Among these, Al-montmorillonite showed the highest acidity determined by the pyridine-IR as well as NH3-TPD methods. A systematic comparison of the performance of these catalysts along with parent montmorillonite was carried out for the hydroxyalkylation of p-cresol with formaldehyde to give 2, 2{\textquoteright}-methylenebis (4-methyl phenol) (DAM). It was found that the activity of these catalysts was in accordance with the increase in acidity of parent montmorillonite after the exchange of cations in the order of Zn2+, Fe3+ and Al3+. The selectivity pattern was also influenced by the exchanged cations. Since Al-montmorillonite showed the highest conversion of 51\% with 98\% selectivity to DAM, the effects of various reaction parameters, namely, mole ratio, catalyst concentration, temperature, reaction time on conversion and selectivity pattern were also studied using the same catalyst This catalyst also showed an excellent stability as evidenced by its eight times reuse. (C) 2012 Published by Elsevier B.V.

}, keywords = {Cations-exchanged clay, Montmorillonite, NH3-TPD, Pyridine-IR}, issn = {0169-1317}, doi = {10.1016/j.clay.2012.10.005}, author = {Jha, Ajay and Garade, Ajit C. and Shirai, M. and Rode, C. V.} } @article { ISI:000318589100018, title = {Metal or nonmetal cooperation with a phenyl group: route to catalysis? a computational investigation}, journal = {ACS Catalysis}, volume = {3}, number = {5}, year = {2013}, month = {MAY}, pages = {920-927}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Full quantum mechanical calculations demonstrate that cooperativity in the form of the activation of the M-C bond (M: transition metal or boron, C: the ipso carbon of the coordinated phenyl group) can lead to effective catalysis pathways. Calculations show that the presence of an aromatic bidentate ligand attached to a transition metal, or even a main group element, such as boron, can lead to effective catalysts for,a, range of important reactions, such as the dehydrogenation of ammonia borane and formic acid and the activation of the N-H, bond in aromatic amities. Moreover, it is shown that the design of tridentate pincer complexes with the aromatic group at a terminal end can lead to effective M-C cooperativity. As such, the current work introduces a new concept in cooperativity and bond activation chemistry.

}, keywords = {catalysis, Density functional theory, metal-ligand cooperativity, small molecule activation}, issn = {2155-5435}, doi = {10.1021/cs400174u}, author = {Ghatak, Kamalika and Mane, Manoj and Vanka, Kumar} } @article { ISI:000315707700003, title = {MgCl2 center dot 6CH(3)OH: a simple molecular adduct and its influence as a porous support for olefin polymerization}, journal = {ACS Catalysis}, volume = {3}, number = {3}, year = {2013}, month = {MAR}, pages = {303-311}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A single phase molecular adduct, MgCl2 center dot 6CH(3)OH has been synthesized using MgCl2 and the simplest alcohol, methanol. Structural, spectroscopic, and morphological studies have been carried out for a better understanding of the single phase MgCl2 center dot 6CH(3)OH adduct. C-13 CPMAS solid state NMR studies show all six methanol molecules are magnetically equivalent and present in a single environment around the Mg2+ center. Raman spectral analysis of the characteristic peak at 708 cm(-1) substantiates octahedral coordination of six CH3OH molecules around Mg2+. Solid state C-13 NMR measurements, made after heat treatment at different temperatures, have been utilized to understand the variations in CH3OH stoichiometry and coordination around Mg2+ with temperature. A titanated active catalyst, TiCl4 on MgCl2 center dot 6CH(3)OH, has also been synthesized and subjected to detailed characterizations. The active catalyst shows high surface area (102 m(2)/g) and mesoporosity. The titanated catalyst has been screened for ethylene polymerization reactions using different cocatalysts (R3Al; R= -CH3, -CH2CH3, and -CH2CH(CH3)(2)). A total of 7.25 kg of polyethylene per gram of catalyst has been obtained with Me3Al cocatalyst, which is six times higher in activity compared with commercial Me3Al/TiCl4/MgCl2 center dot 6EtOH-supported orted catalystAlthough porosity influences the catalytic activity, other factors also seem to contribute to the total catalytic activity.

}, keywords = {heterogeneous catalysis, MgCl2, Molecular adduct, olefin polymerization, Ziegler-Natta catalyst}, issn = {2155-5435}, doi = {10.1021/cs300730j}, author = {Gnanakumar, Edwin S. and Gowda, Ravikumar R. and Kunjir, Shrikant and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Chakraborty, Debashis and Gopinath, Chinnakonda S.} } @article { ISI:000326615000007, title = {Molecular insights into resistance mechanisms of lepidopteran insect pests against toxicants}, journal = {Journal of Proteome Research}, volume = {12}, number = {11}, year = {2013}, month = {NOV}, pages = {4727-4737}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Insect pests remain a major reason for crop loss worldwide despite extensive use of chemical insecticides. More than B 50\% of all insecticides are organophosphates, followed by synthetic pyrethroids, organochlorines, carbamates, and biopesticides, and their continued use may have many environmental, agricultural, medical, and socioeconomic issues. Importantly, only a countable number of insects have acquired the status of crop pests, mostly due to monoculture of crop plants and polyphagous nature of the insects. We focus on A adaptations of Lepidopteran insects to phytochemicals and synthetic pesticides in native and modern agricultural systems. Because of heavy use of chemical insecticides, a strong selection pressure is imposed on insect populations, resulting in the emergence of resistance against candidate compound(s). Current knowledge suggests that insects generally implement a three-tier system to overcome the effect of toxic compounds at physiological, biochemical, and genetic levels. Furthermore, we have discussed whether the adaptation to phytochemicals provides an advantage to the insect while encountering synthetic insecticide molecules. Specific metabolic pathways employed by insects to convert deterrents into less toxic forms or their removal from the system are highlighted. Using the proteomics approach, insect proteins interacting with insecticides can be identified, and their modification in resistant insects can be characterized. Also, systems biology studies can offer useful cues to decipher the molecular networks participating in the metabolism of detrimental compounds.

}, keywords = {field crops, insect-pests, insecticide, Lepidoptera, proteomics, resistance mechanisms}, issn = {1535-3893}, doi = {10.1021/pr400642p}, author = {Dawkar, Vishal V. and Chikate, Yojana R. and Lomate, Purushottam R. and Dholakia, Bhushan B. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000330159500007, title = {Molecular interactions, proton exchange, and photoinduced processes prompted by an inclusion process and a [2]pseudorotaxane formation}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {18}, year = {2013}, month = {AUG}, pages = {9004-9012}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Appropriate design of the host and guest components allows formation of a novel [2]pseudorotaxane complex with an interrupted photoinduced electron transfer (PET)-coupled fluorescence resonance energy transfer (FRET) response. This is the first example of an inclusion complex with NO6-based azacrown ether as the host unit (H). Different guest molecules (G1, G2, G3, and G4) with varying stopper size are used for the studies. Unlike G1, G2, and G3, G4 with a relatively bulkier stopper fails to form a [2]pseudorotaxane complex. Isothermal titration microcaloiimetry measurements reveal a systematic increase in the association constant for H.G1, H.G2, and H.G3 with a change in the stopper size. Thermodynamic data suggest that the formation of H.G1/H.G2/H.G3 is exclusively driven by a large positive entropic gain (T Delta S = 19.69/26.80/21.81 kJ.mol(-1)), while the enthalpy change is slightly negative for H.G1/H.G3 (-2.61/-1.97 kJ.mol(-1)) and slightly positive for H.G2 (Delta H = 5.98 kJ.mol(-1)). For these three inclusion complexes, an interrupted PET-coupled FRET response is observed with varying efficiency, which is attributed to the subtle differences in acidity of the NH2+ unit of the guest molecules and thus the proton exchange ability between the host and respective guest. This is substantiated by the results of the computational studies.

}, issn = {0022-3263}, doi = {10.1021/jo400752d}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Kesharwani, Manoj K. and Gangopadhyay, Monalisa and Agrawal, Manoj and Boricha, Vinod P. and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000315516400021, title = {Molecular mapping of leaf rust resistance gene Lr15 in hexaploid wheat}, journal = {Molecular Breeding}, volume = {31}, number = {3}, year = {2013}, month = {MAR}, pages = {743-747}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Leaf rust is a widespread and commonly occurring rust disease of wheat. Genetic resistance is the most economical method of reducing losses due to leaf rust. Lr15 has been shown to be present on wheat chromosome 2D and is reported to be a seedling resistance gene. However, tightly linked markers associated with Lr15 have not been reported to date. To identify molecular markers linked to Lr15, an F-2 mapping population of Thatcher x Thatcher-Lr15 was generated. Available wheat simple sequence repeat markers were utilized in parental screening and polymorphic markers were used to analyze the entire population of 221 plants. Phenotypic evaluations of the F-2-derived F-3 progenies with Puccinia triticina Eriks. pathotype 162A (93R15) confirmed the monogenic inheritance of Lr15. The linkage group representing chromosome 2DS was constructed at LOD 4.0 which revealed the closest flanking markers Xgwm4562 and Xgwm102 at a distance of 3.1 and 9.3 cM, respectively. Furthermore, utilization of these flanking markers in combination has successfully identified wheat lines with or without Lr15. These markers could potentially be useful in gene pyramiding with other genes to enhance rust resistance in wheat.

}, keywords = {Disease resistance, Leaf rust, Marker-assisted selection, Simple sequence repeat, Wheat}, issn = {1380-3743}, doi = {10.1007/s11032-012-9813-9}, author = {Dholakia, Bhushan B. and Rajwade, A. V. and Hosmani, P. and Khan, R. R. and Chavan, S. and Reddy, D. M. R. and Lagu, Meena D. and Bansal, Urmil K. and Saini, R. G. and Gupta, V. S.} } @article { ISI:000328864800088, title = {Multicomponent reactions involving arynes, quinolines, and aldehydes}, journal = {Organic Letters}, volume = {15}, number = {17}, year = {2013}, month = {SEP}, pages = {4620-4623}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The multicomponent reaction involving arynes, quinolines, and aldehydes leading to the diastereoselective synthesis of benzoxazino quinoline derivatives in good yields proceeding via 1,4-zwitterionic intermediates is reported. In addition, the synthetic potential of various carbonyl compounds in this reaction as well as the utility of isoquinoline as the nucleophilic trigger has been examined.

}, issn = {1523-7060}, doi = {10.1021/ol4023134}, author = {Bhunia, Anup and Porwal, Digvijay and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000325552900018, title = {New chemodosimetric probe for the specific detection of Hg2+ in physiological condition and its utilisation for cell imaging studies}, journal = {Dalton Transactions}, volume = {42}, number = {42}, year = {2013}, month = {JUL}, pages = {15097-15105}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A dithiane derivative of BODIPY is synthesized. This new reagent could be used for the specific and instantaneous detection of Hg2+ in physiological condition. This dithiane reagent reacts specifically with Hg2+ to regenerate the parent BODIPY-aldehyde with consequential change in visually detectable optical responses and this provides the possibility of using this reagent as a colorimetric probe or as a fluorescent biomarker/imaging reagent. Further, non-covalent interactions could be utilized for formation of an inclusion complex with biologically benign beta-cyclodextrin for enhancing its solubility in aqueous environment and this included adduct could be used as a fluorescent marker and imaging reagent for Hg2+. Uptake of Hg2+ ions in live HeLa cells, exposed to a solution having Hg2+ ion concentration as low as 2 ppb, could also be detected by confocal laser microscopic studies.

}, issn = {1477-9226}, doi = {10.1039/c3dt51744f}, author = {Saha, Sukdeb and Agarwalla, Hridesh and Gupta, Hariom and Baidya, Mithu and Suresh, E. and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000324928000035, title = {New receptor with a FRET based fluorescence response for selective recognition of fumaric and maleic acids in aqueous medium}, journal = {Chemical Communications}, volume = {49}, number = {84}, year = {2013}, month = {AUG}, pages = {9818-9820}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

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

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

}, doi = {10.1021/jp310570n}, author = {Banerjee, Tanmay and Kaniyankandy, Sreejith and Das, Amitava and Ghosh, Hirendra Nath} } @conference { ISI:000317266700656, title = {Novel, band-controlled metal oxide compositions for semiconductor-mediated photocatalytic splitting of water to produce H-2}, booktitle = { 57th DAE Solid State Physics Symposium}, series = {AIP Conference Proceedings}, volume = {1512}, year = {2013}, note = {57th DAE Solid State Physics Symposium, Indian Inst Technol, Bombay, INDIA, DEC 03-07, 2012}, month = {FEB}, pages = {1321}, publisher = {Gov India, Dept Atom Energy (DAE), Board Res Nucl Sci (BRNS)}, organization = {Gov India, Dept Atom Energy (DAE), Board Res Nucl Sci (BRNS)}, address = {Indian Institute of Bombay, India }, isbn = {978-0-7354-1133-3}, issn = {0094-243X}, doi = {10.1063/1.4791546}, author = {Gupta, Narendra M.}, editor = {Chauhan, A. K. and Murli, C. and Gadkari, S. C.} } @article { ISI:000313694200024, title = {One pot solvent free synthesis and in vitro antitubercular screening of 3-aracylphthalides against mycobacterium tuberculosis}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {23}, number = {3}, year = {2013}, month = {FEB}, pages = {711-714}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

One pot synthesis of 3-Aracylphthalide was accomplished in good yield by reacting 2-carboxy benzaldehyde with various aromatic methyl ketones in presence of methane sulphonic acid. Various phthalides thus obtained were characterized with spectral techniques. These phthalides were subjected to in vitro antitubercular screening against Mycobacterium tuberculosis H37Ra (MTB) by using XRMA protocol. Among the phthalides screened, four exhibited half maximal inhibitory concentration (IC50) in the range of 0.81-1.24 mu g/ml thereby providing potential lead compounds for future drug discovery studies. (c) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {3-Aracylphthalide, Antitubercular activity, Methane sulphonic acid, One pot synthesis}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2012.11.097}, author = {Limaye, Rohan A. and Kumbhar, Virendra B. and Natu, Arun D. and Paradkar, Madhusudan V. and Honmore, Varsha S. and Chauhan, Rubia R. and Gample, Suvarna P. and Sarkar, Dhiman} } @article { ISI:000316351800012, title = {One size does not fit all: on how markov model order dictates performance of genomic sequence analyses}, journal = {Nucleic Acids Research}, volume = {41}, number = {3}, year = {2013}, month = {FEB}, pages = {1416-1424}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {

The structural simplicity and ability to capture serial correlations make Markov models a popular modeling choice in several genomic analyses, such as identification of motifs, genes and regulatory elements. A critical, yet relatively unexplored, issue is the determination of the order of the Markov model. Most biological applications use a predetermined order for all data sets indiscriminately. Here, we show the vast variation in the performance of such applications with the order. To identify the {\textquoteleft}optimal{\textquoteright} order, we investigated two model selection criteria: Akaike information criterion and Bayesian information criterion (BIC). The BIC optimal order delivers the best performance for mammalian phylogeny reconstruction and motif discovery. Importantly, this order is different from orders typically used by many tools, suggesting that a simple additional step determining this order can significantly improve results. Further, we describe a novel classification approach based on BIC optimal Markov models to predict functionality of tissue-specific promoters. Our classifier discriminates between promoters active across 12 different tissues with remarkable accuracy, yielding 3 times the precision expected by chance. Application to the metagenomics problem of identifying the taxum from a short DNA fragment yields accuracies at least as high as the more complex mainstream methodologies, while retaining conceptual and computational simplicity.

}, issn = {0305-1048}, doi = {10.1093/nar/gks1285}, author = {Narlikar, Leelavati and Mehta, Nidhi and Galande, Sanjeev and Arjunwadkar, Mihir} } @article { ISI:000315540200007, title = {One-step method for the synthesis of aryl olefins from aryl aldehydes and aliphatic aldehydes}, journal = {Tetrahedron Letters}, volume = {54}, number = {12}, year = {2013}, month = {MAR}, pages = {1528-1530}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A conceptually new one-step reaction affording unexpected aryl olefinic product from aromatic aldehyde, aliphatic aldehyde and malononitrile in the presence of acetic acid-ammonium acetate under mild reaction conditions without using any metal catalyst is reported. This novel reaction was used to prepare a number of substituted aryl olefins including new molecules. (c) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Aliphatic aldehyde, Aromatic aldehyde, Aryl olefin, Dicyanoaniline, Malononitrile}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.01.008}, author = {Borate, Hanumant B. and Gaikwad, Supriya H. and Kudale, Ananada S. and Chavan, Subhash P. and Pharande, Shrikant G. and Wagh, Vitthal D. and Sawant, Vikram S.} } @article { ISI:000315168800015, title = {Orthanilic acid-promoted reverse turn formation in peptides}, journal = {Chemical Communications}, volume = {49}, number = {22}, year = {2013}, month = {JAN}, pages = {2222-2224}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Orthanilic acid (2-aminobenzenesulfonic acid, (S)Ant), an aromatic beta-amino acid, has been shown to be highly useful in inducing a folded conformation in peptides. When incorporated into peptide sequences (Xaa-(S)Ant-Yaa), this rigid aromatic beta-amino acid strongly imparts a reverse-turn conformation to the peptide backbone, featuring robust 11-membered-ring hydrogen-bonding.

}, issn = {1359-7345}, doi = {10.1039/c3cc40522b}, author = {Kale, Sangram S. and Priya, Gowri and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000209465100066, title = {Oxidoreductase from {\textquoteleft}Alphonso{\textquoteright} mango catalyzing biosynthesis of furaneol and reduction of reactive carbonyls}, journal = {SpringerPlus}, volume = {2}, year = {2013}, month = {OCT}, pages = {494}, publisher = {SPRINGER INTERNATIONAL PUBLISHING AG}, type = {Article}, address = {GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND}, abstract = {

Two furanones, furaneol (4-hydroxy-2,5-dimethyl-3(2H)-furanone) and mesifuran (2,5-dimethyl-4-methoxy-3(2H)-furanone), are important constituents of flavor of the Alphonso cultivar of mango (Mangifera indica). To get insights into the biosynthesis of these furanones, we isolated an enone oxidoreductase gene from the Alphonso mango. It has high sequence similarity to an alkenal/one oxidoreductase from cucumber (79\% identity) and enone oxidoreductases from tomato (73\% identity) and strawberry (72\% identity). The complete open reading frame was expressed in E. coli and the (his) 6-tagged recombinant protein was purified by affinity chromatography. The purified protein assayed with NADH as a reducing agent converted D-fructose-1,6-diphosphate into furaneol, the immediate precursor of mesifuran. The enzyme was also able to convert two highly reactive carbonyls, 3-buten-2-one and 1-penten-3-one, produced by lipid peroxidation in plants, into their saturated derivatives. Expression profiling in various ripening stages of Alphonso fruits depicted an expression maxima at 10 days after harvest stage, shortly before the appearance of the maximum amount of furanones (completely ripe stage, 15 days after harvest). Although no furanones were detected at the 0 day after harvest stage, significant expression of this gene was detected in the fruits at this stage. Overall, the results suggest that this oxidoreductase plays important roles in Alphonso mango fruits.

}, keywords = {Detoxification, Enone oxidoreductase, Flavor, Mangifera indica, Ripening}, issn = {2193-1801}, doi = {10.1186/2193-1801-2-494}, author = {Kulkarni, Ram and Chidley, Hemangi G. and Deshpande, Ashish and Schmidt, Axel and Pujari, Keshav and Giri, Ashok P. and Gershenzon, Jonathan and Gupta, Vidya} } @article { ISI:000321434500006, title = {Palladium chloride catalyzed photochemical heck reaction}, journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie}, volume = {91}, number = {5}, year = {2013}, month = {MAY}, pages = {348-351}, publisher = {CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS}, address = {65 AURIGA DR, SUITE 203, OTTAWA, ON K2E 7W6, CANADA}, abstract = {

PdCl2 catalyzed carbon-carbon bond formation (Heck reaction) between substituted aryl halides and olefins was carried out without a ligand, under irradiation with UV-visible light. The results demonstrated that UV-visible light accelerated the rate of the reaction, leading to an excellent yield of corresponding products. The recovered palladium nanoparticles could be thermally recycled several times. PdCl2 gave excellent conversion up to the fifth addition of substrate.

}, keywords = {C-C coupling, Heck reaction, iodobenzene, photochemical reaction}, issn = {0008-4042}, doi = {10.1139/cjc-2012-0377}, author = {Waghmode, Suresh B. and Arbuj, Sudhir S. and Wani, Bina N. and Gopinath, Chinnakonda S.} } @article { ISI:000313764100016, title = {PEEK/SiO2 composites with high thermal stability for electronic applications}, journal = {Electronic Materials Letters}, volume = {9}, number = {1}, year = {2013}, month = {JAN}, pages = {95-100}, publisher = {KOREAN INST METALS MATERIALS}, address = {POSCO CENTER, 4TH FL (EAST WING), 892 DAECHI-4-DONG, KANGNAM-KU, SEOUL 135-777, SOUTH KOREA}, abstract = {

Thermal and mechanical properties of new high performance polymer matrix composites based on poly(etheretherketone) (PEEK) as matrix and crystalline-silica (SiO2) as reinforcement were discussed for application in electronic packaging substrates or printed circuit boards. The content of SiO2 was varied between 0 and 50 wt. \%. Scanning electron microscopy showed uniform dispersion of SiO2 particles in the matrix. Thermogravimetry analysis showed significant increase in thermal stability and char yield with increase in SiO2 content in the matrix. Differential scanning calorimetry showed that SiO2 had a heterogeneous nucleating effect on PEEK, leading to an increase in peak temperature of crystallization and onset crystallization temperature of the composites compared to a pure matrix. The microhardness increased approximately 42\%. A modified rule of mixtures with a strengthening efficiency factor equal to 0.06 fit the data nicely. The results show that the prepared PEEK/SiO2 composites may have potential applications in electronics.

}, keywords = {hardness, PEEK, polymer matrix composites, Thermal properties}, issn = {1738-8090}, doi = {10.1007/s13391-012-2107-x}, author = {Goyal, R. K. and Rokade, K. A. and Kapadia, A. S. and Selukar, B. S. and Garnaik, Baijayantimala} } @article { ISI:000325392000050, title = {Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods}, journal = {Journal of Chemical Physics}, volume = {139}, number = {12}, year = {2013}, month = {SEP}, pages = {124116}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Spin flip equation of motion coupled cluster (EOM-SF-CC) can correctly treat situations involving electronic degeneracies or near degeneracies, e. g., bond breaking, di- and tri-radicals, etc. However, for large systems EOM-SF-CC (even in single and double excitations) is computationally prohibitively expensive. Therefore, earlier approximations to EOM-SF-CC methods such as spin flip configuration interaction singles with perturbative doubles (SF-CIS(D)) have been proposed. In this work, we present a new perturbative approximation to EOM-SF-CC, which has been found to be more accurate than SF-CIS(D). The capabilities, advantages, and timings of the new approach have been demonstrated considering the singlet-triplet gaps in di- and triradicals as well as bond breaking examples. The method is extended to double spin flip EOM-CC and its capabilities have been tested. (C) 2013 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4821936}, author = {Dutta, Achintya Kumar and Pal, Sourav and Ghosh, Debashree} } @article {42623, title = {Plasticity of protease gene expression in helicoverpa armigera upon exposure to multi-domain capsicum annuum protease inhibitor}, journal = {Biochimica et Biophysica Acta (BBA) - General Subjects}, volume = {1830}, year = {2013}, month = {MAR}, pages = {3414{\textendash}3420}, abstract = {

Background A multi-domain Pin-II type protease inhibitor from Capsicum annuum (CanPI-7) is known to be effective against the insect pest, Helicoverpa armigera. The present study is an attempt to investigate the optimal dose of recombinant CanPI-7 (rCanPI-7) for effective antibiosis to H. armigera and further to characterize the responses of digestive proteases upon rCanPI-7 ingestion. Methods The gut protease activity was assessed biochemically and transcript accumulation pattern for selected trypsin and chymotrypsin genes was analyzed by quantitative Real-Time PCR. Results The growth retardation upon exposure to rCanPI-7 was more prominent in neonates as compared to third instar larvae. Influence of stage and dosage of rCanPI-7 was conspicuous on the expression and regulation of candidate trypsin and chymotrypsin genes in H. armigera. The transcript accumulation pattern correlated with the protease activity in rCanPI-7 exposed larvae. Conclusions We conclude that early exposure and specific dose of protease inhibitor are essential for effective antibiosis despite the large diversity and plasticity in the expression of protease genes in H. armigera. Moreover, it is also evident that the regulation and expression of H. armigera gut proteases are specific to the stage of PI exposure. General significance These results highlight the requirement of optimal PI concentration for effective growth retardation and for inhibiting the major gut proteases of H. armigera.

}, doi = {10.1016/j.bbagen.2013.03.017}, author = {Mahajan, Neha S. and Mishra, Manasi and Tamhane, Vaijayanti A. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000315360400007, title = {Poly-L-arginine grafted silica mesoporous nanoparticles for enhanced cellular uptake and their application in DNA delivery and controlled drug release}, journal = {Particle \& Particle Systems Characterization}, volume = {30}, number = {2}, year = {2013}, month = {FEB}, pages = {166-179}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Mesoporous silica nanoparticles (MSNs), that are capable of delivering gene and drugs to organisms in an effective and selective way have attracted much attention lately for its potential in the treatment of cancer. However, the successful application of MSNs for delivery of plasmid DNA or drugs requires surface modification of the silica with positively charged functional groups so that it binds to the negatively charged nucleic acids and also helps it penetrate through the cell membrane. We report for the first time the synthesis of a hybrid MSN where the cell penetrating cationic polypeptide poly-L-arginine synthesized by NCA polymerization is grafted onto the external surface of MSN using click chemistry. These poly-L-arginine grafted MSNs show low cytotoxity (85\% cell viability at 100 g/mL MSN concentration) and high cellular uptake by both HeLa and A549 (\>90\%). The poly-L-arginine grafted MSNs were used effectively to deliver mCherry DNA plasmid into cells leading to expression of the protein mCherry inside the cells (transfection efficiency 60\%). In contrast, poly-L-arginine grafted non-porous silica nanoparticles were unable to express the protein mCherry inside the cells although their uptake into the cells was as efficient as with poly-L-arginine grafted MSNs. We also show preliminary results to demonstrate that these hybrid MSNs can be used as a delivery vehicle for the anticancer drug Doxorubicin towards cancerous cells HeLa and A549. The biocompatibility of poly-L-arginine and its cell penetrating ability are expected to make these MSN conjugates very useful carriers for the delivery of genes and drugs into cancer cells.

}, issn = {0934-0866}, doi = {10.1002/ppsc.201200089}, author = {Kar, Mrityunjoy and Tiwari, Neha and Tiwari, Mitali and Lahiri, Mayurika and Sen Gupta, Sayam} } @article { ISI:000315370000010, title = {Polyproline fold-In imparting kinetic stability to an alkaline serine endopeptidase}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1834}, number = {3}, year = {2013}, month = {MAR}, pages = {708-716}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Polyproline II (PPII) fold, an unusual structural element was detected in the serine protease from Nocardiopsis sp. NCIM 5124 (NprotI) based on far UV circular dichroism spectrum, structural transitions of the enzyme in presence of GdnHCl and a distinct isodichroic point in chemical and thermal denaturation. The functional activity and conformational transitions of the enzyme were studied under various denaturing conditions. Enzymatic activity of NprotI was stable in the vicinity of GdnHCl upto 6.0 M concentration, organic solvents viz, methanol, ethanol, propanol (all 90\% v/v), acetonitrile (75\% v/v) and proteases such as trypsin, chymottypsin and proteinase K (NprotI:protease 10:1). NprotI seems to be a kinetically stable protease with a high energy barrier between folded and unfolded states. Also, an enhancement in the activity of the enzyme was observed in 1 M GdnHCl upto 8 h, in organic solvents (75\% v/v) for 72 h and in presence of proteolytic enzymes. The polyproline fold remained unaltered or became more prominent under the above mentioned conditions. However, it diminished gradually during thermal denaturation above 60 degrees C. Thermal transition studies by differential scanning calorimetry (DSC) showed scan rate dependence as well as irreversibility of denaturation, the properties characteristic of kinetically stable proteins. This is the first report of PPII helix being the global conformation of a non structural protein, an alkaline serine protease, from a microbial source, imparting kinetic stability to the protein. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Conformation, differential scanning calorimetry, Kinetic stability, Nocardiopsis sp., Polyproline fold, Serine protease}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2012.12.007}, author = {Rohamare, Sonali B. and Dixit, Vaishali and Nareddy, Pavan Kumar and Sivaramakrishna, D. and Swamy, Musti J. and Gaikwad, Sushama M.} } @article { ISI:000323842900082, title = {Preparation-method-dependent morphological, band structural, microstructural, and photocatalytic properties of noble metal-GaNbO4 nanocomposites}, journal = {RSC Advances}, volume = {3}, number = {37}, year = {2013}, month = {JUL}, pages = {16817-16828}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report the distinct physicochemical and photophysical properties of gallium niobate photocatalysts (bandgap: similar to 3.1 eV), prepared by a solid-state (SS) reaction and sol-gel (SG) method and dispersed with a noble metal (similar to 0.5\% of Pt, Au, or RuOx) cocatalyst. SG-GaNbO4 comprised smaller size particles (similar to 20-50 nm) and a larger surface area (similar to 160 m(2) g(-1)) compared to SS-GaNbO4 (particle size similar to 30-150 nm, surface area similar to 27 m(2) g(-1)). XRD patterns revealed a preparation-dependent variation in the relative intensity of prominent reflections. In TEM examination, SG samples exhibited small-range grain boundaries and heterogeneous metal/substrate interfacial contacts, while SS-GaNbO4 had long-range ordering. Laser-Raman and thermoluminescence investigations revealed that lattice distortion, defect-induced inter-bandgap charge trapping states, and the local environment around the metal/semiconductor interfaces may also depend on the preparation method. Metal-GaNbO4 nanocomposites showed no activity for the dissociation of pure water under UV (\>250 nm) irradiation, despite the favourable conduction and valence band potentials. This was attributed to the sharp Ga and Nb d-levels in the narrow conduction band of GaNbO4, as confirmed by ab initio electronic structure calculation. These photocatalysts, however, showed good activity for semiconductor-mediated photo-dissociation of aqueous methanol to produce H-2; a cocatalyst-dependent activity trend, Pt \> RuOx \> Au, was observed. Doping of S at similar to 5\% of the oxygen sites led to decreased photoactivity, ascribed to the presence of localized S 3p states just above the O 2p valence level. In conclusion, besides band characteristics, certain morphological and microstructural properties play a crucial role in the photoactivity of the metal/oxide nanocomposites.

}, issn = {2046-2069}, doi = {10.1039/c3ra43477j}, author = {Devi, Suman and Kelkar, Sarika A. and Kashid, Vikas and Salunke, Hemant G. and Gupta, Narendra M.} } @article { ISI:000324842900004, title = {Probing the active site of cinnamoyl CoA reductase 1 (Ll-CCRH1) from Leucaena leucocephala}, journal = {International Journal of Biological Macromolecules}, volume = {60}, year = {2013}, month = {SEP}, pages = {33-38}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Lack of three dimensional crystal structure of cinnamoyl CoA reductase (CCR) limits its detailed active site characterization studies. Putative active site residues involved in the substrate/NADPH binding and catalysis for Leucaena leucocephala CCR (Ll-CCRH1; GenBank: DQ986907) were identified by amino acid sequence alignment and homology modeling. Putative active site residues and proximal H215 were subjected for site directed mutagenesis, and mutated enzymes were expressed, purified and assayed to confirm their functional roles. Mutagenesis of S136, Y170 and K174 showed complete loss of activity, indicating their pivotal roles in catalysis. Mutant S212G exhibited the catalytic efficiencies less than 10\% of wild type, showing its indirect involvement in substrate binding or catalysis. R51G, D77G, F30V and I31N double mutants showed significant changes in K-m values, specifying their roles in substrate binding. Finally, chemical modification and substrate protection studies corroborated the presence Ser, Tyr, Lys, Arg and carboxylate group at the active site of Ll-CCRH1. (c) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Chemical modification, Cinnamoyl CoA reductase 1, Docking simulations, homology modeling, Site directed mutagenesis, Substrate protection}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.05.005}, author = {Sonawane, Prashant and Patel, Krunal and Vishwakarma, Rishi Kishore and Srivastava, Sameer and Singh, Somesh and Gaikwad, Sushama M. and Khan, Bashir Mohammad} } @article { ISI:000328231600014, title = {Proline-catalyzed asymmetric synthesis of syn- and anti-1,3-diamines}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {23}, year = {2013}, month = {DEC}, pages = {11756-11764}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A general organocatalytic strategy for asymmetric synthesis of both syn/anti-1,3-diamines has been developed. The strategy employs proline-catalyzed sequential alpha-amination and Horner-Wadsworth-Emmons (HWE) olefination of aldehydes as the key step where syn-1,3-diamine was obtained as the most favorable product.

}, issn = {0022-3263}, doi = {10.1021/jo401722e}, author = {Kumar, Pradeep and Jha, Vishwajeet and Gonnade, Rajesh G.} } @article { ISI:000318213800029, title = {Promising stability of gold-based catalysts prepared by direct anionic exchange for DeNO (x) applications in lean burn conditions}, journal = {Topics in Catalysis}, volume = {56}, number = {1-8}, year = {2013}, note = {9th International Congress on Catalysis and Automotive Pollution Control (CAPoC), Brussels, BELGIUM, AUG 29-31, 2012}, month = {MAY}, pages = {157-164}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Supported gold catalysts on gamma-Al2O3 have been investigated in the catalytic reduction of NO (x) in simulated Diesel exhaust gas conditions. Different parameters have been examined essentially the mode of gold incorporation via classical deposition-precipitation and anionic exchange methods and the nature of the pre-activation thermal treatment. The resistance to thermal ageing under reactive conditions at 500 A degrees C was found completely different with a significant rate enhancement on anionic-exchange samples. Further comparisons also show that the nature of the pre-activation thermal treatment influences the extent of surface reconstructions during thermal ageing with a detrimental effect of reductive pre-treatment on the catalytic performances.

}, keywords = {Anionic-exchange, Au/Al2O3 catalyst, Deposition-precipitation, NOx abatement, Selective catalytic reduction}, issn = {1022-5528}, doi = {10.1007/s11244-013-9946-z}, author = {Nguyen, D. -L. and Shubhangi B. Umbarkar and Dongare, Mohan K. and Lancelot, Christine and Girardon, J. S. and Dujardin, Christophe and Granger, P.} } @article { ISI:000325608800002, title = {Proteome wide reduction in AGE modification in streptozotocin induced diabetic mice by hydralazine mediated transglycation}, journal = {Scientific Reports}, volume = {3}, year = {2013}, month = {OCT}, pages = {2941}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

The non-enzymatic reaction between glucose and protein can be chemically reversed by transglycation. Here we report the transglycation activity of hydralazine using a newly developed MALDI-TOF-MS based assay. Hydralazine mediated transglycation of HbA1c, plasma proteins and kidney proteins was demonstrated in streptozotocin (STZ) induced diabetic mice, as evidenced by decrease in protein glycation, as well as presence of hydralazine-glucose conjugate in urine of diabetic mice treated with hydralazine. Hydralazine down regulated the expression of Receptor for Advanced Glycation End products (RAGE), NADPH oxidase (NOX), and super oxide dismutase (SOD). These findings will provide a new dimension for developing intervention strategies for the treatment of glycation associated diseases such as diabetes complications, atherosclerosis, and aging.

}, issn = {2045-2322}, doi = {10.1038/srep02941}, author = {Kesavan, Suresh K. and Bhat, Shweta and Golegaonkar, Sandeep B. and Jagadeeshaprasad, Mashanipalya G. and Deshmukh, Arati B. and Patil, Harshal S. and Bhosale, Santosh D. and Shaikh, Mahemud L. and Thulasiram, Hirekodathakallu V. and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000313557600018, title = {Proteomic analysis of protease resistant proteins in the diabetic rat kidney}, journal = {Molecular \& Cellular Proteomics}, volume = {12}, number = {1}, year = {2013}, month = {JAN}, pages = {228-236}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

Glycation induced protein aggregation has been implicated in the development of diabetic complications and neurodegenerative diseases. These aggregates are known to be resistant to proteolytic digestion. Here we report the identification of protease resistant proteins from the streptozotocin induced diabetic rat kidney, which included enzymes in glucose metabolism and stress response proteins. These protease resistant proteins were characterized to be advanced glycation end products modified and ubiquitinated by immunological and mass spectrometry analysis. Further, diabetic rat kidney exhibited significantly impaired proteasomal activity. The functional analysis of identified physiologically important enzymes showed that their activity was reduced in diabetic condition. Loss of functional activity of these proteins was compensated by enhanced gene expression. Aggregation prone regions were predicted by in silico analysis and compared with advanced glycation end products modification sites. These findings suggested that the accumulation of protein aggregates is an inevitable consequence of impaired proteasomal activity and protease resistance due to advanced glycation end products modification. Molecular \& Cellular Proteomics 12: 10.1074/mcp.M112.020651, 228-236, 2013.

}, issn = {1535-9476}, doi = {10.1074/mcp.M112.020651}, author = {Bansode, Sneha B. and Chougale, Ashok D. and Joshi, Rakesh S. and Giri, Ashok P. and Bodhankar, Subhash L. and Harsulkar, Abhay M. and Kulkarni, Mahesh J.} } @article { ISI:000313557300004, title = {Proteomic profiling and interactome analysis of ER-positive/HER2/neu negative invasive ductal carcinoma of the breast: towards proteomics biomarkers}, journal = {OMICS-A Journal of Integrative Biology}, volume = {17}, number = {1}, year = {2013}, month = {JAN}, pages = {27-40}, publisher = {MARY ANN LIEBERT, INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {

Breast cancer, especially ER positive/HER2/neu negative IDC, is the predominant subtype of invasive ductal carcinoma. Although proteomic approaches have been used towards biomarker discovery in clinical breast cancer, ER positive/HER2/neu negative IDC is the least studied subtype. To discover biomarkers, as well as to understand the molecular events associated with disease progression of estrogen receptor positive/HER2/neu negative subtype of invasive ductal carcinoma, differential protein expression profiling was performed by using LC-MSE (MS at elevated energy). A total of 118 proteins were identified, of which 26 were differentially expressed. These identified proteins were functionally classified and their interactions and coexpression were analyzed by using bioinformatic tools PANTHER (Protein Analysis THrough Evolutionary Relationships) and STRING (Search Tool for the Retrieval of Interacting Genes). These proteins were found to be upregulated and were involved in cytoskeletal organization, calcium binding, and stress response. Interactions of annexin A5, actin, S100 A10, glyceraldehyde 3 phosphate dehydrogenase, superoxide dismutase 1, apolipoprotein, fibrinogen, and heat shock proteins were prominent. Differential expression of these proteins was validated by two-dimensional gel electrophoresis and Western blot analysis. The cluster of these proteins may serve as a signature profile for estrogen receptor positive/ HER2/neu negative subtype.

}, issn = {1536-2310}, doi = {10.1089/omi.2012.0054}, author = {Korwar, Arvind M. and Bhonsle, Hemangi S. and Ghole, Vikram S. and Gawai, Kachru R. and Koppikar, Chaitanyananda B. and Kulkarni, Mahesh J.} } @article { ISI:000320305100009, title = {Purification and characterization of a thermolysin like protease from thermoactinomyces thalpophilus MCMB-380}, journal = {Protein and Peptide Letters}, volume = {20}, number = {8}, year = {2013}, month = {AUG}, pages = {918-925}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

The extracellular thermolysin like protease (TLP) was purified and characterized from Thermoactinomyces thalpophilus MCMB-380 (Genbank Accession No. EF397000). The enzyme was purified to homogeneity by successive ultra filtration steps using 50 kDa and 10 kDa membrane filters followed by anion exchange chromatography. The molecular mass and isoelectric point of the enzyme were found to be 34.4 kDa and 9.5, respectively. The proteolytic activity was inhibited by EDTA and the enzyme required Ca2+ to show the full activity as well as thermostability. The T-50 of the enzyme at 80 degrees C was 1 h and the activation energy was estimated to be 11.02 Kcal / mol. Atomic absorption spectrophotometric analysis revealed the presence of Zn2+ ion in the protein core indicating that it is a metalloprotease. This protease has commercial potential in catalyzing the condensation reaction of two amino acids for production of the dipeptide aspartame, an artificial sweetener. The one hour time-frame is significantly faster than that of the enzyme thermolysin from Bacillus thermoproteolyticus. Moreover the TLP was stable at 80 degrees C for one hour which makes it industrially robust. The Zn2+ ion in the T. thalpophilus protease appears to be necessary for maintaining the active conformation of the enzyme molecule.

}, keywords = {Metalloprotease, Thermostability, TLP}, issn = {0929-8665}, author = {Majumder, Devipriya R. and Kanekar, Pradnya P. and Gaikwad, Sushama M.} } @article {42741, title = {Rational design of highly active {\textquotedblleft}hybrid{\textquotedblright} phosphine-phosphinite pincer iridium catalysts for alkane metathesis}, journal = {ACS Catalysis}, volume = {3}, year = {2013}, month = {SEP}, pages = {2505{\textendash}2514}, abstract = {

Both the bisphosphine and bisphosphinite pincer complexes (tBu4PCP)IrH2 and (tBu4POCOP)IrH2 can cocatalyze alkane metathesis in tandem with olefin metathesis catalysts, but the two complexes have different resting states during catalysis, suggesting that different steps are turnover-limiting in each case. This led to the hypothesis that a complex with intermediate properties would be catalytically more active than either of these two species. Accordingly, {\textquotedblleft}hybrid{\textquotedblright} phosphine{\textendash}phosphinite pincer ligands (PCOP) and the corresponding iridium complexes were synthesized (3c{\textendash}e). In tandem with olefin-metathesis catalyst MoF12, (tBu4PCOP)IrH2 displays significantly higher activity for the metathesis of n-hexane than does (tBu4PCP)IrH2 or (tBu4POCOP)IrH2. (tBu2PCOPiPr2)IrH4 (3d) is even more active (\>30-fold more active than (tBu4POCOP)IrH2) and affords nearly 4.6 M alkane products after 8 h at 125 {\textdegree}C.

}, doi = {10.1021/cs400624c}, author = {Nawara-Hultzsch, Agnieszka J. and Hackenberg, Jason D. and Punji, Benudhar and Supplee, Carolyn and Emge, Thomas J. and Bailey, Brad C. and Schrock, Richard R. and Brookhart, Maurice and Goldman, Alan S.} } @article { ISI:000326946900004, title = {Rationally designed CuFe2O4-mesoporous Al2O3 composite towards stable performance of high temperature water-gas shift reaction}, journal = {Chemical Communications}, volume = {49}, number = {96}, year = {2013}, month = {JUL}, pages = {11257-11259}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

High temperature water-gas shift reaction was demonstrated for the first time on a CuFe2O4-mesoporous alumina nanocomposite between 350 and 550 degrees C with 70-80\% CO-conversion using simulated waste derived syngas under realistic conditions. Despite high Al-content, the catalyst exhibited stable activity, which was attributed to the nano-architectured robust porous nature of alumina integrated with surrounding CuFe2O4.

}, issn = {1359-7345}, doi = {10.1039/c3cc43699c}, author = {Subramanian, Vijayanand and Gnanakumar, Edwin S. and Jeong, Dae-Woon and Han, Won-Bi and Gopinath, Chinnakonda S. and Roh, Hyun-Seog} } @article { ISI:000318447100001, title = {Reactivity of thiophenes, oligothiophenes and benzothiophenes}, journal = {Advances in Heterocyclic Chemistry}, volume = {108}, year = {2013}, month = {DEC}, pages = {1-161}, publisher = {ELSEVIER ACADEMIC PRESS INC}, address = {525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

This article surveys the literature on the reactivity of thiophenes and benzothiophenes published since the appearance of the third edition of Comprehensive Heterocyclic Chemistry. Two areas that have received maximum attention are: (1) homo- and cross-coupling reactions leading to C C bond formation with high site selectivity and under mild reaction conditions, as well as the regioselective introduction of heteroatom substituents and (2) dithienylethenes and their symmetry-allowed photocyclized isomers, with special reference to the use of this photochromic system as photoswitching units.

}, keywords = {Benzothiophenes and oligothiophenes, Newer results on the reactivity of thiophenes, Pericyclic reactions, Transition metal-catalyzed bond formation}, isbn = {978-0-12-404598-9}, issn = {0065-2725}, doi = {10.1016/B978-0-12-404598-9.00001-8}, author = {Rajappa, Srinivasachari and Gumaste, Vikas K.}, editor = {Katritzky, A. R.} } @article {42620, title = {Resistome analysis of mycobacterium tuberculosis: identification of aminoglycoside 2{\textquoteright}-nacetyltransferase (AAC) as co-target for drug desigining}, journal = {Bioinformation}, volume = {9}, year = {2013}, month = {FEB}, pages = {174-181}, abstract = {

The emergence of multidrug resistant tuberculosis (MDRTB) highlights the urgent need to understand the mechanisms of resistance to the drugs and to develop a new arena of therapeutics to treat the disease. Ethambutol, isonazid, pyrazinamide, rifampicin are first line of drugs against TB, whereas aminoglycoside, polypeptides, fluoroquinolone, ethionamide are important second line of bactericidal drugs used to treat MDRTB, and resistance to one or both of these drugs are defining characteristic of extensively drug resistant TB. We retrieved 1,221 resistant genes from Antibiotic Resistance Gene Database (ARDB), which are responsible for resistance against first and second line antibiotics used in treatment of Mycobacterium tuberculosis infection. From network analysis of these resistance genes, 53 genes were found to be common. Phylogenetic analysis shows that more than 60\% of these genes code for acetyltransferase. Acetyltransferases detoxify antibiotics by acetylation, this mechanism plays central role in antibiotic resistance. Seven acetyltransferase (AT-1 to AT-7) were selected from phylogenetic analysis. Structural alignment shows that these acetyltransferases share common ancestral core, which can be used as a template for structure based drug designing. From STRING analysis it is found that acetyltransferase interact with 10 different proteins and it shows that, all these interaction were specific to M. tuberculosis. These results have important implications in designing new therapeutic strategies with acetyltransferase as lead co-target to combat against MDR as well as Extreme drug resistant (XDR) tuberculosis.

}, doi = {10.6026/97320630009174}, author = {Joshi R. S. and Jamdhade M. D. and Sonawane M. S. and Giri, Ashok P.} } @article { ISI:000321590000015, title = {Rhenium(I) tricarbonyl complex of 5,20-bis(p-tolyl)-10,15-bis(p-methoxyphenyl)-21-selenaporphyrin: first X-ray structural characterization of metal complex of 21-selenaporphyrin}, journal = {Dalton Transactions}, volume = {42}, number = {30}, year = {2013}, month = {MAY}, pages = {10798-10806}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Synthesis and first structural characterization of hexa coordinated rhenium(I)tricarbonyl complex of 5,20-bis( p-tolyl)-10,15-bis(p-methoxyphenyl)-21-selenaporphyrin 3 are described. The Re(I)complex of 21-selenaporphyrin 3 was synthesized by treating free base 21-selenaporphyrin in 1,2-dichlorobenzene with Re(CO)(5)Cl at reflux for 7 h and analyzed using mass, NMR, FT-IR, UV-vis and electrochemical techniques. The first structure of metal complex of 21-selenaporphyrin was determined by X-ray single crystal analysis. The crystal structure revealed that the Re(CO)(3) coordinates to two of the three inner nitrogens and one selenium to produce compound 3. The selenophene ring bent towards the Re(I)ion and the selenium is displaced by 0.41 angstrom from the mean plane of 24-atoms to coordinate with Re(I)ion in eta(1)-fashion. The 21-selenaporphyrin is distorted in compound 3 compared to free base 21-selenaporphyrin. H-1 and C-13 NMR studies indicated that compound 3 exhibits fluxional behaviour in coordination mode of binding in solution. The compound 3 is highly stable and does not undergo decomplexation under acidic conditions. The absorption spectra showed three broad Q-bands and splitted Soret band and electrochemical studies indicated that compound 3 is stable under redox conditions.

}, issn = {1477-9226}, doi = {10.1039/c3dt51024g}, author = {Ghosh, Avijit and Gonnade, Rajesh G. and Ravikanth, Mangalampalli} } @article { ISI:000326319800045, title = {Role of metal ion in specific recognition of pyrophosphate ion under physiological conditions and hydrolysis of the phosphoester linkage by alkaline phosphatase}, journal = {Inorganic Chemistry}, volume = {52}, number = {19}, year = {2013}, month = {OCT}, pages = {11034-11041}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Complexes synthesized from Zn(II), Cu(II), and Cd(II), using a dipicolyl amine derivative (L), showed unique specificity toward pyrophosphate ion (PPi or P4O74-) among all other common anionic analytes, including different biologically significant phosphate ion (PO43-, H2PO42-) or phosphate-ion-based nucleotides, such as AMP, ADP, ATP, and CTP. However, the relative affinities of PPi toward these three metal complexes were found to vary and follow the order K-a(L.Zn-PPi) \> are given in units of (L.Cu-PPi)(a) \>= K-a(L.Cd-PPi). Luminescence responses of the receptor L were substantial on binding to Zn2+ and Cd2+, while relatively a much smaller luminescence response was observed in the presence of Cu2+. Luminescence responses of L.M-PPi (M is Zn2+, Cd2+, and Cu2+) were further modified on binding to the PPi ion. This could be utilized for quantitative detection of PPi in physiological condition as well as for developing a real time {\textquoteleft}{\textquoteleft}turn-on{\textquoteright}{\textquoteright} (for L.Zn and L.Cu) and {\textquoteleft}{\textquoteleft}turn-off{\textquoteright}{\textquoteright} (for L.Cd) fluorescence assay for evaluating the enzymatic activity of alkaline phosphatase (ALP). Experimental results revealed how the subtle differences in the binding affinities between PPi and M in L.M (M is Zn2+, Cd2+, and Cu2+), could influence the cleavage of the phosphoester linkage in PPi by ALP. The DFT calculations further revealed that the hydrolytic cleavage of the metal ion coordinated phosphoester bond is kinetically faster than that for free PPi and thus, rationalized the observed difference in the cleavage of the phosphoester bond by an important mammalian enzyme such as ALP in the presence of different metal complexes.

}, issn = {0020-1669}, doi = {10.1021/ic401243h}, author = {Das, Priyadip and Chandar, Nellore Bhanu and Chourey, Shishir and Agarwalla, Hridesh and Ganguly, Bishwajit 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 { 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: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: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: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: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 {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: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: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: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: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: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: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: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: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: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 {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: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:000311822100011, title = {Thermodynamics and solvation dynamics of BIV TAR RNA-Tat peptide interaction}, journal = {Molecular Biosystems}, volume = {9}, number = {1}, year = {2013}, month = {OCT}, pages = {88-98}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The interaction of the trans-activation responsive (TAR) region of bovine immunodeficiency virus (BIV) RNA with the Tat peptide is known to play important role in viral replication. Despite being thoroughly studied through a structural point of view, the nature of binding between BIV TAR RNA and the BIV Tat peptide requires information related to its thermodynamics and the nature of hydration around the TAR-Tat complex. In this context, we carried out the thermodynamic study of binding of the Tat peptide to the BIV TAR RNA hairpin through different calorimetric and spectroscopic measurements. Fluorescence titration of 2-aminopurine tagged BIV TAR RNA with the Tat peptide gives their binding affinity. The isothermal titration calorimetric experiment reveals the enthalpy of binding between BIV TAR RNA and the Tat peptide to be largely exothermic with the value of -11.7 (SEM 0.2) kcal mol(-1). Solvation dynamics measurements of BIV TAR RNA having 2-AP located at the bulge region have been carried out in the absence and presence of the BIV Tat peptide using the time correlated single photon counting technique. The solvent cage around the Tat binding site of RNA appears to be more rigid in the presence of the Tat peptide as compared to the free RNA. The displacement of solvent and ions on RNA due to peptide binding influences the entropic contributions to the total binding energy.

}, issn = {1742-206X}, doi = {10.1039/c2mb25357g}, author = {Goel, Teena and Kumar, Santosh and Maiti, Souvik} } @article { ISI:000335434600004, title = {Thermoresponsive and biodegradable dextran based microgels: synthesis and structural investigation}, journal = {Macromolecular Symposia}, volume = {329}, number = {1}, year = {2013}, note = {Polymer Networks Conference (PNG), WY, AUG 12-16, 2012}, month = {JUL}, pages = {27-34}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Nanostructured objects, often ranging from hundreds of nanometers to few microns, support a number of functions directly linked to their structural features. They are, or they will be, protagonists in biomedical applications where miniaturized activities are required. These include the interface with living systems as tissues and cells, where targeted release of drug molecules occurs, or molecular imaging methods monitoring the drug trafficking in specific cell districts. The potentials of such devices, far to be fully understood, will be assessed only when a close correlation of their functions with their structure will be established. In this contribution we present a dextran based microdevice responsive to temperature and biodegradable. Both thermoresponsivity and biodegradability are of relevance for the potential use as drug carrier and controlled release device. The temperature behaviour, overall structure and internal architectures have been addressed with different methods.

}, keywords = {Biomaterials, colloids, dynamic light scattering, hydrogels, p(NiPAAm)}, issn = {1022-1360}, doi = {10.1002/masy.201300009}, author = {Ghugare, Shivkumar V. and Chiessi, Ester and Sakai, Victoria Garcia and Telling, Mark T. F. and Wadgaonkar, Prakash P. and Paradossi, Gaio} } @article { ISI:000319708300034, title = {Triazole-linked anthracenyl-appended calix[4]arene conjugate as receptor for Co(II): synthesis, spectroscopy, microscopy, and computational studies}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {8}, year = {2013}, month = {APR}, pages = {3570-3576}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new triazole-linked anthracenyl-appended calix[4]arene-1,3-diconjugate (L) has been synthesized and characterized, and its single crystal XRD structure has been established. Binding properties of L toward different biologically relevant metal ions have been studied by fluorescence and absorption spectroscopy in ethanol. L exhibits selective recognition of Co2+ and can detect down to a concentration of 55 ppb (0.92 mu M). The roles of the calix[4]arene platform as well as the preorganized binding core in L{\textquoteright}s selective recognition have been demonstrated by studying appropriate control molecules. The mode of binding of L with Co2+ has been modeled both by DFT and MD computational calculations. L and its Co2+ complex could be differentiated on the basis of the nanostructural features observed in AFM and TEM.

}, issn = {0022-3263}, doi = {10.1021/jo400038x}, author = {Mummidivarapu, V. V. Sreenivasu and Hinge, Vijaya Kumar and Tabbasum, Khatija and Gonnade, Rajesh G. and Rao, Chebrolu P.} } @article {PACHFULE, title = {Two-stage fermentation process for enhanced mannitol production using Candida magnoliae mutant R9}, journal = {Bioprocess and Biosystems Engineering}, volume = {36}, number = {2}, year = {2013}, month = {FEB}, pages = {193-203}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Mutants of Candida magnoliae NCIM 3470 were generated by treatment of ultra-violet radiations, ethyl methyl sulphonate and N-methyl-N{\textquoteright}-nitro-N-nitrosoguanidine. Mutants with higher reductase activity were screened by means of 2,3,5-triphenyl tetrazolium chloride agar plate assay. Among the screened mutants, the mutant R9 produced maximum mannitol (i.e. 46 g l(-1)) in liquid fermentation medium containing 250 g l(-1) glucose and hence was selected for further experiments. Preliminary optimization studies were carried out on shake-flask level which increased the mannitol production to 60 g l(-1) in liquid fermentation medium containing 300 g l(-1) glucose. A two-stage fermentation process comprising of growth phase and production phase was employed. During the growth phase, glucose was supplemented and aerobic conditions were maintained. Thereafter, the production phase was initiated by supplementing fructose and switching to anaerobic conditions by discontinuing aeration and decreasing the speed of agitation. The strategy of two-stage fermentation significantly enhanced the production of mannitol up to 240 g l(-1), which is the highest among all fermentative production processes and corresponds to 81 \% yield and 4 g l(-1) h(-1) productivity without formation of any by-product.

}, keywords = {Candida magnoliae, D-Mannitol, Mutagenesis, Strain improvement, Two-stage fermentation}, issn = {1615-7591}, doi = {10.1007/s00449-012-0775-4}, author = {Savergave, Laxman S. and Gadre, Ramchandra V. and Vaidya, Bhalchandra K. and Jogdand, Vitthal V.} } @article { ISI:000314651800003, title = {Weak becomes strong: remarkable strength of C-H center dot center dot center dot pi hydrogen bond in the presence of O-H center dot center dot center dot O hydrogen bonds in the crystal stabilization}, journal = {CrystEngComm}, volume = {15}, number = {9}, year = {2013}, month = {JAN}, pages = {1676-1679}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report crystallographic evidence for the significance of C-H center dot center dot center dot pi hydrogen bonds in the crystal stabilization of 1,4-di-O-benzoyl-myo-inositol. The strength of this otherwise weak hydrogen bond matches with the strength of O-H center dot center dot center dot O hydrogen bonds.

}, issn = {1466-8033}, doi = {10.1039/c3ce26894b}, author = {Sureshan, Kana M. and Gonnade, Rajesh G.} } @article { ISI:000326939800010, title = {Xylitol production by cyberlindnera (Williopsis) saturnus, a tropical mangrove yeast from xylose and corn cob hydrolysate}, journal = {Journal of Applied Microbiology}, volume = {115}, number = {6}, year = {2013}, month = {DEC}, pages = {1357-1367}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

AimPotential for xylitol production from xylose and corn cob hydrolysate by a tropical mangrove yeast. Methods and ResultsIn the present study, 21 fungi were isolated from detritus-based mangrove wetlands along the Indian west coast. Of these, one yeast isolate had the ability to grow and assimilate xylose producing significant amounts of xylitol (3863gl(-1)). A maximum yield of 054gg(-1) was obtained after 144h of growth on xylose (150gl(-1)) and corn cob hydrolysate (CCH, containing 65gl(-1) xylose). Using biochemical and molecular methods, the yeast was identified as Cyberlindnera (Williopsis) saturnus. Preliminary characterization of enzymes in the cell-free extract revealed that while xylose reductase (XR) preferred NADPH to NADH as cofactor, xylitol dehydrogenase (XDH) was NAD specific. ConclusionsSignificant amounts of xylitol could be produced on CCH using C.saturnus isolated from tropical mangrove wetlands. The yeast has the potential to assimilate rather than ferment xylose as its XR has a preference for NADPH. Significance and Impact of the StudyMicrobes offer an economically viable and green approach for production of xylitol, an industrially important compound. A mangrove ecosystem with its battery of lignocellulolytic enzymes is an ideal location for isolating fungi capable of producing xylitol from agroindustrial waste such as CCH.

}, keywords = {corn cob hydrolysate, Cyberlindnera, mangrove, Williopsis, xylitol, Xylose, Yeast}, issn = {1364-5072}, doi = {10.1111/jam.12327}, author = {Kamat, S. and Gaikwad, S. and Kumar, A. Ravi and Gade, Wasudeo N.} } @article { ISI:000338486300020, title = {1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU): a highly efficient catalyst in glycerol carbonate synthesis}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {391}, year = {2014}, month = {SEP}, pages = {144-149}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Transesterification of dimethyl carbonate (DMC) with glycerol (GLY) was investigated using various amines as catalysts. Amidines like 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) and 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) were found to be the best catalysts for this reaction. Best results: 98\% conversion of GLY with 96\% selectivity to GC (TON: 9408), were obtained with DBU as a catalyst. Effect of various reaction conditions on activity and selectivity were investigated using DBU as catalyst. The mechanism of the reaction was investigated with the help of H-1, C-13 and N-15 NMR analysis and OFT calculations. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {DBU, Glycerol, Glycerol carbonate, transesterification}, issn = {1381-1169}, doi = {10.1016/j.molcata.2014.04.016}, author = {Munshi, Mudassir K. and Gade, Swapna M. and Mane, Manoj V. and Mishra, Deepti and Pal, Sourav and Vanka, Kumar and Rane, Vilas H. and Kelkar, Ashutosh A.} } @article { ISI:000338296300009, title = {2-Aroylindoles from o-bromochalcones via Cu(I)-catalyzed SNAr with an azide and intramolecular nitrene C-H insertion}, journal = {Chemical Communications}, volume = {50}, number = {58}, year = {2014}, month = {May}, pages = {7790-7792}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple procedure for the synthesis of 2-aroylindole derivatives comprising a one-pot CuI-catalyzed SNAr reaction of o-bromochalconeswith sodium azide and subsequent intramolecular cyclization through nitrene C-H insertion has been developed. This protocol is also applicablewith the 2{\textquoteright}-bromocinnamates giving the indole-2-carboxylates.

}, issn = {1359-7345}, doi = {10.1039/c4cc02501f}, author = {Goriya, Yogesh and Ramana, Chepuri V.} } @article { ISI:000336840900022, title = {9-Fluorenemethanol: an internal electron donor to fine tune olefin polymerization activity}, journal = {Dalton Transactions}, volume = {43}, number = {24}, year = {2014}, month = {MAR}, pages = {9143-9151}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new MgCl2 based molecular adduct has been synthesized with 9-fluorenemethanol (9FM) as a novel internal electron donor (IED), along with ethanol (EtOH) (MgCl2 center dot n9FM center dot xEtOH). The above molecular adduct has been subjected to a variety of structural, spectroscopic and morphological characterization techniques. The results of the solid state C-13 CPMAS NMR technique suggests the coordination of 9FM to MgCl2. Observation of a low angle diffraction peak at 2 theta = 5.7 degrees (d = 15.5 angstrom) underscores the coordination of 9FM along the z-axis, and ethanol in the molecular adduct. Active Ziegler-Natta catalysts were prepared by two different synthesis methods; the conventional method to obtain a high surface area active catalyst, and other one with 9FM as an integral part of the active catalyst in order to study the influence of 9FM as an IED over the active sites. The active catalysts were also characterized thoroughly with different analytical tools. The XRD results show (003) facets of delta-MgCl2 (alpha-MgCl2) for the conventional (non-conventional) titanated catalyst. Results of the ethylene polymerization activity study reveals that the conventionally prepared highly porous active catalyst shows 1.7-2.5 times higher activity than the non-conventional prepared catalyst; however, the latter shows a low molecular weight distribution and confirms the role of the Lewis base as an IED.

}, issn = {1477-9226}, doi = {10.1039/c4dt00793j}, author = {Gnanakumar, Edwin S. and Chokkapu, Eswara Rao and Kunjir, Shrikant and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Chakraborty, Debashis and Gopinath, Chinnakonda S.} } @article { ISI:000344330800010, title = {Acid-base cooperative catalysis over mesoporous nitrogen-rich carbon}, journal = {ChemCatChem}, volume = {6}, number = {11}, year = {2014}, month = {NOV}, pages = {3091-3095}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

WOx nanoclusters (2-3 nm) embedded on a mesoporous nitrogen-rich carbon material were synthesized by using novel methodology. This material was very effectively capitalized as a new carbon-based acid-base cooperative catalyst for sequential acetal hydrolysis and Knoevenagel condensation reactions. The protocol was also explored for the nitroaldol condensation reaction.

}, keywords = {cooperative catalysts, Knoevenagel condensation, mesoporous materials, Nanostructures, nitro aldol reaction}, issn = {1867-3880}, doi = {10.1002/cctc.201402537}, author = {Goyal, Reena and Sarkar, Bipul and Lucas, Nishita and Bordoloi, Ankur} } @article { ISI:000328955200029, title = {Activated nitrogen doped graphene shell towards electrochemical oxygen reduction reaction by its encapsulation on Au nanoparticle (Au@N-Gr) in water-in-oil {\textquoteleft}{\textquoteleft}nanoreactors{\textquoteright}{\textquoteright}}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {5}, year = {2014}, month = {NOV}, pages = {1383-1390}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Encapsulation of nitrogen doped graphene on Au nanoparticle (Au@N-Gr) could be accomplished through a water-in-oil emulsion technique, where the emulsion droplets act as {\textquoteleft}nanoreactors{\textquoteright} and the redox reaction inside the droplets results in the formation of core-shell nanoparticles. The encapsulation of N-Gr on a small quantity of Au (N-Gr : Au wt ratio of 90 : 10) made the N-Gr layer more conductive and active towards electrochemical oxygen reduction reaction (ORR). The enhanced conductivity helped the system narrow down the ohmic overpotential, and direct electronic interactions between the Au and Gr layers brought in a favourable positive shift to the onset potential for ORR. Encapsulation has helped N-Gr reduce the overpotential by similar to 121 mV as compared to N-Gr alone. Apart from this, the oxygen reduction kinetics of Au@N-Gr also appeared to be superior to N-Gr and Au nanoparticles as separate entities due to greater involvement of the preferred 4-electron reduction pathway. At -0.3 V (vs. Hg/HgO), the percentage of hydrogen peroxide (H2O2) (a product formed from the undesirable 2-electron reduction pathway) was found to be 16.5\% for Au@Gr, where Au was covered with undoped Gr, which gets reduced to a significantly low level of 6.5\% for Au@N-Gr. Au and N-Gr as separate entities give yield of H2O2 as 52.2 and 47.7\%, respectively. From these, it can be concluded that the coverage of N-Gr on Au helps decrease the yield of H2O2 drastically apart from the benefits of synergistic interactions in reducing both ohmic and activation overpotentials.

}, issn = {2050-7488}, doi = {10.1039/c3ta14005a}, author = {Dhavale, Vishal M. and Gaikwad, Sachin S. and Kurungot, Sreekumar} } @article {46384, title = {Acyl-transfer reactions in molecular crystals: reactivity correlation with crystal structure}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {APR}, pages = {C771}, type = {Meeting Abstract}, keywords = {crystal engineering, intermolecular interactions, solid-state reactions}, issn = {2053-2733}, author = {Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article {46399, title = {Additive induced capture of elusive polymorphs of conformationally flexible Sulfonamides/Sulfoesters}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C776}, type = {Meeting Abstract}, keywords = {additive induced polymorphism, intermolecular interactions, phase transition}, issn = {2053-2733}, author = {Shaikh, Samir Rashid and Gawade, Rupesh L. and Chakravarty, Debamitra K. and Puranik, Vedavati G. and Gonnade, Rajesh} } @article { ISI:000341405600003, title = {Ambient oxidation of benzene to phenol by photocatalysis on Au/Ti0.98V0.02O2: role of holes}, journal = {ACS Catalysis}, volume = {4}, number = {9}, year = {2014}, month = {SEP}, pages = {2844-2853}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A potential photocatalyst with 2 atom \% vanadium incorporated into the 1 lattice of disordered mesoporous titania, Ti0.98V0.02O2, (TV2) was synthesized. Au was deposited on TV2 (Au/TV2) through a photodeposition method. Structural, microscopy, and spectroscopy techniques support the incorporation of vanadium into the TiO2 lattice, and Au was deposited on the surfaces of TV2. Photocatalytic oxidation of benzene was conducted at ambient temperature under UV and/or visible light to demonstrate the catalytic activity of the Au/TV2 catalyst. The TV2 lattice exhibits a quantum jump in benzene to phenol oxidation compared to that of TiO2, highlighting the importance of V for oxidation. Introduction of Au onto TV2 further increases the benzene to phenol oxidation and phenol yield by a factor of 2 under UV light compared to those of bare TV2. No significant phenol production was observed in visible light with or without gold, indicating the role of gold is indirect toward charge separation and electron storage. Nano gold clusters on TV2 selectively store photoexcited electrons and in turn maximize holes utilization on TiO2. The high photocatalytic activity of Au/TV2 is mainly attributed to the presence of Schottky junctions, disordered mesoporosity, and short diffusion lengths for charge carriers.

}, keywords = {nano gold, phenol, Photocatalysis, Schottky junction, titania, Vanadium}, issn = {2155-5435}, doi = {10.1021/cs500724z}, author = {Devaraji, Perumal and Sathu, Naveen K. and Gopinath, Chinnakonda S.} } @article { ISI:000333939500005, title = {Antifungal dimeric chalcone derivative kamalachalcone E from Mallotus philippinensis}, journal = {Natural Product Research}, volume = {28}, number = {4}, year = {2014}, month = {FEB}, pages = {245-250}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

From the red coloured extract (Kamala) prepared through acetone extraction of the fresh whole uncrushed fruits of Mallotus philippinensis, one new dimeric chalcone (1) along with three known compounds 1-(5,7-dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen -1-one (2), rottlerin (3) and 4 {\textquoteleft}-hydroxyrottlerin (4) were isolated. The structure of compound 1 was elucidated by 1D and 2D NMR analyses that included HSQC, HMBC, COSY and ROESY experiments along with the literature comparison. Compounds 1-4 were evaluated for antifungal activity against different human pathogenic yeasts and filamentous fungi. The antiproliferative activity of the compounds was evaluated against Thp-1 cell lines. Compounds 1 and 2 both exhibited IC50 of 8, 4 and 16 mu g/mL against Cryptococcus neoformans PRL518, C. neoformans ATCC32045 and Aspergillus fumigatus, respectively. Compound 4, at 100 mu g/mL, showed 54\% growth inhibition of Thp-1 cell lines.

}, keywords = {4 {\textquoteleft}-hydroxyrottlerin, antifungal, dimeric chalcone, kamalachalcone E, Mallotus philippinensis, rottlerin}, issn = {1478-6419}, doi = {10.1080/14786419.2013.843178}, author = {Kulkarni, Roshan R. and Tupe, Santosh G. and Gample, Suvarna P. and Chandgude, Macchindra G. and Sarkar, Dhiman and Deshpande, Mukund V. and Joshi, Swati P.} } @article {43308, title = {Antimicrobial activity of a new series of Bis(isoxazoline),Bis(isoxazole)and their derivatives}, journal = {International Journal of Chemical and Physical Sciences}, volume = {1}, year = {2014}, month = {JAN}, pages = {1-4}, type = {Article}, abstract = {

A series of 1,1-bis [2-hydroxy-3-(5{\textquoteright}-aryl-isoxazoline-3-yl)-5-methyl phenyl] methane and 1,1-bis [2-hydroxy-3-(5{\textquoteright}-aryl-isoxazol-3-yl)-5-methyl phenyl] methane derivatives were evaluated for their antimicrobial activity against some selected pathogenic micro-organisms such as Gram-positive bacteria, Staphylococcus aureus, Citrobacter frundii, Bacillus megatherium and Gram-negative bacteria Staphyloccus aureus, Escherichia coli, Proteus mirabilis, Pseudomonas aeruginosa, Enterobacter aerogenes, Salmonella typhi, Proteus vulgaris.

}, author = {Gajbhiye, Jayant M. and Chopade, A. U.} } @article { ISI:000331163900002, title = {Asymmetric vinylogous mannich reaction of silyloxy furans with N-tert-butanesulfinyl ketimines}, journal = {Organic Letter}, volume = {16}, number = {3}, year = {2014}, month = {FEB}, pages = {648-651}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A highly regio- and diastereoselective TMSOTf promoted vinylogous Mannich reaction for the synthesis of chiral quaternary 3-aminooxindole butenolides from 2-silyloxy furans and chiral ketimines is described. The method is found to be very efficient and also provides a facile access to sterically challenging 3-aminooxindole butenolides bearing two quaternary centers in continuation. Further, the versatility of the method is demonstrated by the 1,4-addition of nucleophiles on the sterically congested butenolide substructure..

}, issn = {1523-7060}, doi = {10.1021/ol4037117}, author = {Rao, V. U. Bhaskara and Jadhav, Amol P. and Garad, Dnyaneshwar N. and Singh, Ravi P.} } @article { ISI:000339012400004, title = {Biocatalyst mediated functionalization of salannin, an insecticidal limonoid}, journal = {RSC Advances}, volume = {4}, number = {53}, year = {2014}, month = {JUN}, pages = {27661-27664}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Transformation of salannin, an insecticidal C-seco limonoid was investigated using a fungal system, Cunninghamella echinulata. Salannin was efficiently converted into two metabolites, where the C-17 furan moiety was transformed into gamma-hydroxybutenolide (salanninolide) and N-(2-hydroxyethyl)-alpha,beta-unsaturated-gamma-lactam (salanninactam) analogues. Present studies have indicated salanninolide to be a metabolite in the C-seco limonoid biosynthetic pathway.

}, issn = {2046-2069}, doi = {10.1039/c4ra04652h}, author = {Haldar, Saikat and Kolet, Swati P. and Dandekar, Devdutta S. and Kale, Balaji S. and Gonnade, Rajesh G. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000333808600006, title = {Blue luminescent graphene quantum dots by photochemical stitching of small aromatic molecules: fluorescent nanoprobes in cellular imaging}, journal = {Particle \& Particle Systems Characterization }, volume = {31}, number = {4}, year = {2014}, month = {APR}, pages = {433-438}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Blue fluorescent graphene quantum dots (GQDs) are synthesized from small haloaromatic molecules by laser photochemistry. The process involves a bottom-up photochemical stitching mechanism of the free radicals generated by irradiation of ultraviolet photons (lambda = 248 nm) on o-dichlorobenzene. The GQDs are further demonstrated to be of importance as fluorescent nanoprobes in bioimaging of cells.image

}, keywords = {bioimaging, free radicals, graphene quantum dots, photochemical stitching, UV laser}, issn = {0934-0866}, doi = {10.1002/ppsc.201300294}, author = {Gokhale, Rohan and Singh, Pooja} } @article { ISI:000341359200002, title = {Capturing a novel metastable polymorph of the anticancer drug gefitinib}, journal = {CrystEngComm}, volume = {16}, number = {37}, year = {2014}, month = {AUG }, pages = {8638-8641}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Gefitinib, a life-extending anticancer drug, exhibits solvent-mediated conformational polymorphism to yield stable (form I) and novel metastable (form II) polymorphs. Crystal structure analysis revealed 3D isostructurality in the molecular organization of the polymorphs, and the metastable polymorph undergoes a crystal-to-crystal thermal phase transition to the stable polymorph.

}, issn = {1466-8033}, doi = { 10.1039/c4ce01446d}, author = {Thorat, Shridhar H. and Patwadkar, Manjusha V. and Gonnade, Rajesh G. and Vaidhyanathan, R.} } @article { ISI:000343026600023, title = {Cationic charged helical glycopolypeptide using ring opening polymerization of 6-deoxy-6-azido-glyco-N-carboxyanhydride}, journal = {Biomacromolecules}, volume = {15}, number = {10}, year = {2014}, month = {OCT}, pages = {3679-3686}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Glycopolypeptides with a defined secondary structure are of significance in understanding biological phenomena. Synthetic glycopolypeptides, or polypeptides featuring pendant carbohydrate moieties, have been of particular interest in the field of tissue engineering and drug delivery. In this work, we have synthesized charged water-soluble glycopolypeptides that adopt a helical conformation in water. This was carried out by the synthesis of a glyco-N-carboxyanhydride (glyco-NCA) containing an azide group at the sixth position of the carbohydrate ring. Subsequently, the NCA was polymerized to obtain azide-containing glycopolypeptides having good control over molecular weight and polydispersity index (PDI) in high yields. We were also able to control the incorporation of the azide group by synthesizing random co-glycopolypeptide containing 6-deoxy-6-azido and regular 6-OAc functionalized glucose. This azide functionality allows for the easy attachment of a bioactive group, which could potentially enhance the biological activity of the glycopolypeptide. We were able to obtain water-soluble charged glycopolypeptides by both reducing the azide groups into amines and using CuAAC with propargylamine. These charged glycopolypeptides were shown to have a helical conformation in water. Preliminary studies showed that these charged glycopolypeptides showed good biocompatibility and were efficiently taken up by HepG2 cells.

}, issn = {1525-7797}, doi = {10.1021/bm5009537}, author = {Shaikh, Ashif Y. and Das, Soumen and Pati, Debasis and Dhaware, Vinita and Sen Gupta, Sayam and Hotha, Srinivas} } @article { ISI:000340703000039, title = {CH3NH3PbI(3-x)(BF4)(x): molecular ion substituted hybrid perovskite}, journal = {Chemical Communications}, volume = {50}, number = {68}, year = {2014}, month = {SEP}, pages = {9741-9744}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A molecular ion (BF4-) substituted hybrid perovskite CH3NH3PbI(3-x)(BF4)(x) is synthesized. The substituted perovskite shows significant enhancement in electrical conductivity at low frequencies and improved photoresponse under AM1.5 illumination as compared to the perovskite (CH3NH3PbI3).

}, issn = {1359-7345}, doi = {10.1039/C4CC04537H}, author = {Nagane, Satyawan and Bansode, Umesh P. and Game, Onkar S. and Chhatre, Shraddha and Ogale, Satishchandra} } @article { ISI:000347265700005, title = {Characterization, non-isothermal decomposition kinetics and photocatalytic water splitting of green chemically synthesized polyoxoanions of molybdenum containing phosphorus as hetero atom}, journal = {Thermochimica Acta}, volume = {596}, year = {2014}, month = {NOV}, pages = {29-36}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In here, the green synthesis and thermal characterization of a novel polyoxoanions of molybdenum containing phosphorus as hetero atom are reported. The composition and morphology of the nanorods were established by fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. Thermal properties of the nanoparticles were investigated by non-isothermal analysis under nitrogen atmosphere. The values activation energy of each stage of thermal decomposition for all heating rates was calculated by Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunnose (KAS) methods. Invariant kinetic parameter (IKP) method and master plot methodmere also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of cetylpyridinium phosphomolybdate (CPM). Photocatalytic water oxidation mechanism using CPM catalyst in the presence of platinum (Pt) co-catalyst enhances the H-2 evolution and was found to be 1.514 mmol/g/h. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Keggin structure, Master plot method, Polyoxometalate, Water oxidation}, issn = {0040-6031}, doi = {10.1016/j.tca.2014.09.010}, author = {D{\textquoteright}Cruz, Bessy and Samuel, Jadu and George, Leena} } @article { ISI:000344825300009, title = {Chiron approach to formal synthesis of both antipodes of cis 3-hydroxypipecolic acid}, journal = {Tetrahedron Letters}, volume = {55}, number = {47}, year = {2014}, month = {NOV}, pages = {6423-6426}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The efficient and practical formal syntheses of both enantiomers of cis 3-hydroxypipecolic acid were accomplished from cis aziridine-2-carboxylate as the common synthetic precursor. The key steps involved are stereo and regioselective aziridine ring opening, reductive cyclization and selective N-debenzylation over O-debenzylation reactions. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {3-Hydroxypipecolic acid, Aziridine ring opening, Aziridine-2-carboxylate, Piperidine alkaloids, Selective debenzylation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.09.118}, author = {Chavan, Subhash P. and Khairnar, Lalit B. and Chavan, Prakash N. and Dumare, Nilesh B. and Kalbhor, Dinesh B. and Gonnade, Rajesh G.} } @article {46397, title = {Cocrystals/salts of Furosemide : Interesting case of colour cocrystal polymorphism}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C724}, type = {Meeting Abstract}, keywords = {Color cocrystal polymorphism, Sandwich assembly, Stacking interactions}, issn = {2053-2733}, author = {Sangtani, Ekta and Jha, Kunal and Munshi, Parthapratim and Gonnade, Rajesh} } @article { ISI:000329299200005, title = {Comparison of sodium zirconium phosphate and calcium zirconium phosphate structures for the retention of fluoride}, journal = {Journal of Radioanalytical and Nuclear Chemistry}, volume = {299}, number = {1}, year = {2014}, month = {JAN}, pages = {19-24}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Fluoride anion interaction has been explored for the first time to investigate how the structure of sodium zirconium phosphate (NZP) and calcium zirconium phosphate (CZP) can be altered in its presence. Different compositions were made by adding NaF and CaF2 in CZP and NZP matrices respectively. Fluoride interaction differs with NZP and CZP structure as suggested by F-NMR data. The addition of fluoride to the NZP or CZP structure enables to stabilize the structure at a low temperature of 600-700 A degrees C under microwave conditions.

}, keywords = {F-NMR, Fluoride characterization, Microwave, NZP, PIGE}, issn = {0236-5731}, doi = {10.1007/s10967-013-2741-2}, author = {Dey, Ambarish and Das Gupta, Amit and Basu, Debrata and Ambashta, Ritu D. and Wattal, P. K. and Kumar, Sanjiv and Body, Monique and Rajamohanan, P. R.} } @article { ISI:000344589700016, title = {Complex absorbing potential based equation-of-motion coupled cluster method for the potential energy curve of CO2- anion}, journal = {Journal of Chemical Physics}, volume = {141}, number = {16}, year = {2014}, month = {OCT}, pages = {Article No. 164113}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

The equation-of-motion coupled cluster method employing the complex absorbing potential has been used to investigate the low energy electron scattering by CO2. We have studied the potential energy curve for the (2)Pi(u) resonance states of CO2- upon bending as well as symmetric and asymmetric stretching of the molecule. Specifically, we have stretched the C-O bond length from 1.1 angstrom to 1.5 angstrom and the bending angles are changed between 180 degrees and 132 degrees. Upon bending, the low energy (2)Pi(u) resonance state is split into two components, i.e., (2)A(1), B-2(1) due to the Renner-Teller effect, which behave differently as the molecule is bent. (c) 2014 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4899280}, author = {Ghosh, Aryya and Vaval, Nayana and Pal, Sourav and Bartlett, Rodney J.} } @article { ISI:000349902200001, title = {Computational investigation on the catalytic activity of Rh-6 and Rh4Ru2 clusters towards methanol activation}, journal = {Theoretical Chemistry Accounts }, volume = {134}, number = {1}, year = {2014}, month = {DEC}, pages = {1597}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Catalysis of molecular activation of small molecules through scission of strong chemical bonds is one of the major challenges faced by chemists. More specifically, activation of the strong C-H and O-H bonds of various alcohols, especially methanol, is one of the various important intermediate steps of key organic reactions. Our present work explores a suitable metal cluster catalyst towards methanol dissociation. In particular, we have examined the effect of ruthenium doping (Rh:Ru = 2:1) on the catalytic activity of Rh-6 cluster towards methanol dissociation. Density functional theory-based calculations illustrate two competitive pathways for methanol dissociation, which are via O-H and C-H bond breaking. Both the pathways are found to be energetically favourable in the presence of bimetallic and mono-metallic clusters. Importantly, energy barrier for O-H bond dissociation reduces considerably in doped cluster as compared to pure Rh-6 cluster and is smaller than the values reported for a number of other small metallic clusters.

}, keywords = {Bimetallic Clusters, Density Functional Theory (DFT), Doping, Methanol Activation, Rhodium Clusters}, issn = {1432-881X}, doi = {10.1007/s00214-014-1597-z}, author = {Ghatak, Kamalika and Sengupta, Turbasu and Krishnamurty, Sailaja and Pal, Sourav} } @article { ISI:000342927000001, title = {Concise account of the chemistry of valuable alkyl(methyl)maleic anhydrides}, journal = {Synthesis-Stuttgart}, volume = {46}, number = {20}, year = {2014}, month = {OCT}, pages = {2683-2700}, publisher = {GEORG THIEME VERLAG KG}, type = {Review}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A large number of significant bioactive natural and synthetic alkyl(methyl)maleic anhydrides are known in the contemporary literature. A broad range of suitably functionalized substrates have been tailored to accomplish concise and efficient syntheses of an array of alkyl(methyl)maleic anhydrides employing a variety of elegant synthetic strategies. This review presents a brief literature account of the isolation and activity of these important target compounds with a special emphasis on their synthesis.

}, keywords = {alkyl(methyl)maleic anhydrides, bioactivity, dimethylmaleic anhydride, isolation, nucleophilic reactions, Total synthesis}, issn = {0039-7881}, doi = {10.1055/s-0034-1378665}, author = {Deore, Prashant S. and Haval, Kishan P. and Gadre, Smita R. and N. P. Argade} } @article { ISI:000331895900018, title = {Conformational modulation of peptide secondary structures using beta-aminobenzenesulfonic acid}, journal = {Chemical Communications}, volume = {50}, number = {22}, year = {2014}, month = {JAN}, pages = {2886-2888}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the influence of beta-aminobenzenesulfonic acid ((S)Ant) on the conformational preferences of hetero foldamers. The designed (Aib-(S)Ant-Aib)(n) and (Aib-(S)Ant-Pro)(n) oligomers display a well-defined folded conformation featuring intramolecular mixed hydrogen bonding (7/11) and intra-residual (6/5) H-bonding interactions, respectively.

}, issn = {1359-7345}, doi = {10.1039/c3cc48850k}, author = {Kale, Sangram S. and Kunjir, Shrikant M. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000334147300006, title = {Conformational transitions of cinnamoyl CoA reductase 1 from leucaena leucocephala}, journal = {International Journal of Biological Macromolecules }, volume = {64}, year = {2014}, month = {MAR}, pages = {30-35}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Conformational transitions of cinnamoyl CoA reductase, a key regulatory enzyme in lignin biosynthesis, from Leucaena leucocephala (L1-CCRH1) were studied using fluorescence and circular dichroism spectroscopy. The native protein possesses four trp residues exposed on the surface and 66\% of helical structure, undergoes rapid structural transitions at and above 45 C and starts forming aggregates at 55 C. LI-CCRH1 was transformed into acid induced (pH 2.0) molten globule like structure, exhibiting altered secondary structure, diminished tertiary structure and exposed hydrophobic residues. The molten globule like structure was examined for the thermal and chemical stability. The altered secondary structure of Ll -CCRH1 at pH 2.0 was stable up to 90 C. Also, in presence of 0.25 M guanidine hydrochloride (GdnHCI), it got transformed into different structure which was stable in the vicinity of 2 M GdnHCI (as compared to drastic loss of native structure in 2 M GdnHC1) as seen in far UV-CD spectra. The structural transition of LI-CCRH1 at pH 2.0 followed another transition after readjusting the pH to 8.0, forming a structure with hardly any similarity to that of native protein. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Aggregation Cinnamoyl CoA reductase, Conformation, Molten globule, Thermostability, Unfolding}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.11.024}, author = {Sonawane, Prashant D. and Khan, Bashir Mohammad and Gaikwad, Sushama M.} } @article { ISI:000332804700003, title = {Contemporary avenues in catalytic P-H bond addition reaction: a case study of hydrophosphination}, journal = {Coordination Chemistry Reviews}, volume = {265}, year = {2014}, month = {APR}, pages = {52-73}, publisher = {ELSEVIER SCIENCE SA}, type = {Review}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Remarkable advances and current state-of-the-art developments in catalytic hydrophosphination of alkenes and alkynes are reviewed. The challenges in constructing a C P bond with a special emphasis on metal catalysed (asymmetric) hydrophosphination are highlighted. Only those systems that unambiguously proceed via P H bond addition across a C-C/X (X = O, N, S) multiple bond have been covered in this overview. Reviewed examples support the assumption that either strongly chelating ligands or reaction products that act as ligands, enhance the rate of hydrophosphination. The asymmetric variant of this transformation allows installation of p-chiral [enantiomeric excess (ee) up to 82\%] as well as C-chiral (ee up to 99\%) centres. The limited spectroscopic, mechanistic data and OFT calculations point at two distinctly different mechanisms. In case of hydrophosphination, the metal undergoes oxidative addition and reductive elimination steps (in general), thus changing the oxidation state from M(0) to M(II) and back to M(0). Whereas in asymmetric hydrophosphination it is proposed that the oxidation state of the metal remains unaltered throughout the catalytic cycle. The examples described in this overview showcase the real power of catalytic hydrophosphination in constructing various phosphorus compounds, which may initiate a new era in organo-phosphorus chemistry. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Alkynes, Asymmetric hydrophosphination, Hydrophosphination, Metal catalyzed hydrophosphination, Olefins, P-H bond addition}, issn = {0010-8545}, doi = {10.1016/j.ccr.2014.01.006}, author = {Koshti, Vijay and Gaikwad, Shahaji R. and Chikkali, Samir H.} } @article { ISI:000344793700010, title = {Correlation of the solid-state reactivities of racemic 2,4(6)-di-O-benzoyl-myo-inositol 1,3,5-orthoformate and its 4,4 {\textquoteleft}-bipyridine cocrystal with their crystal structures}, journal = {Acta Crystallographica Section C-Structural Chemistry}, volume = {70}, number = {11}, year = {2014}, month = {NOV}, pages = {1040+}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Racemic 2,4(6)-di-O-benzoyl-myo-inositol 1,3,5-orthoformate, C21H18O8, (1), shows a very efficient intermolecular benzoyl-group migration reaction in its crystals. However, the presence of 4,4 {\textquoteleft}-bipyridine molecules in its cocrystal, C21H18O8 center dot C10H8N2, (1)center dot BP, inhibits the intermolecular benzoyl-group transfer reaction. In (1), molecules are assembled around the crystallographic twofold screw axis (b axis) to form a helical self-assembly through conventional O-H center dot center dot center dot O hydrogen-bonding interactions. This helical association places the reactive C6-O-benzoyl group (electrophile, El) and the C4-hydroxy group (nucleophile, Nu) in proximity, with a preorganized El center dot center dot center dot Nu geometry favourable for the acyl transfer reaction. In the cocrystal (1)center dot BP, the dibenzoate and bipyridine molecules are arranged alternately through OH center dot center dot center dot N interactions. The presence of the bipyridine molecules perturbs the regular helical assembly of the dibenzoate molecules and thus restricts the solid-state reactivity. Hence, unlike the parent dibenzoate crystals, the cocrystals do not exhibit benzoyl-transfer reactions. This approach is useful for increasing the stability of small molecules in the crystalline state and could find application in the design of functional solids.

}, keywords = {acyl transfer, cocrystal, crystal structure, design of functional solids, helical assembly, hydrogen bonding, myo-inositol, solid-state reactions}, issn = {0108-2701}, doi = {10.1107/S2053229614021834}, author = {Tamboli, Majid I. and Bahadur, Vir and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000341579600004, title = {Coupled cluster methods for autoionisation resonances}, journal = {International Reviews in Physical Chemistry}, volume = {33}, number = {3}, year = {2014}, month = {SEP}, pages = {397-425}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The quantum chemical calculation of autoionisation resonances in many-electron systems is a highly challenging task due to the ionisation continuum involved. Recently, advances were reported where conventionally used ab initio codes can be employed to compute autoionisation resonances. This is made possible by the use of analytical continuation tools such as complex scaling and complex absorbing potential (CAP) in the electronic structure codes. We review the formulation and the use of complex scaling and CAP in coupled cluster methods for the electron correlated calculation of energy position and autoionisation decay rate of resonance states. The application of analytically continued coupled cluster method for the correlated calculation of interatomic or intermolecular Coulombic decay process is also discussed.

}, keywords = {autoionisation resonances, complex absorbing potential, complex scaling, equation-of-motion coupled cluster, Fock space multi-reference-coupled cluster, intermolecular Coulombic decay}, issn = {0144-235X}, doi = {10.1080/0144235X.2014.935585}, author = {Sajeev, Y. and Ghosh, A. and Vaval, N. and Pal, S.} } @article { ISI:000342609300017, title = {Crystal-to-crystal thermal phase transformation of polymorphs of isomeric 2,3-naphthalene diol ditoluates: mechanism and implications for molecular crystal formation and melting}, journal = {Crystal Growth \& Design}, volume = {14}, number = {10}, year = {2014}, month = {OCT}, pages = {4985-4996}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Isomeric para- (1) and meta- (2) ditoluate derivatives of naphthalene 2,3-diol exhibited polymorphism producing three (Forms 1I, 1II, 1III) and two (Forms 2I, 2II) polymorphs each, respectively, depending on the solvent and conditions of crystallization. Crystal forms 1I, 1II, and 2I could be obtained repeatedly, whereas crystal forms 1III and 2II were obtained (separately) in one of the crystallization experiments, each. All the crystal forms were stable at ambient conditions, except for Form 2II, which disintegrated to a powder over 45 days. In contrast, the ortho-ditoluate (3) of naphthalene 2,3-diol did not exhibit polymorphism; it yielded fibrous chiral crystals from different solvents/conditions. Crystal structure analysis of all these polymorphs revealed dominance of energetically similar weak intermolecular interactions such as CH center dot center dot center dot O, CH center dot center dot center dot pi, pi center dot center dot center dot pi, and their interplay in molecular aggregation resulting in polymorphic modifications. Differential scanning calorimetry (DSC), hot stage microscopy, single crystal and powder X-ray diffraction measurements revealed crystal-to-crystal thermal transformation of Forms 1I and 1II crystals to Form 1III crystals and Form 2II crystals to Form 2I crystals. The transformation of Form 1I and Form 1II crystals to Form 1III crystals can be viewed as progressive destabilization of the crystal lattice during heating and converting to metastable phase, whereas the conversion of Form 2II to Form 2I crystals can be considered as reorganization of an unstable crystalline phase to a stable crystalline phase. Hence comparative studies of the structure of stable, metastable, or transient crystals and crystal-to-crystal transformations involving these forms could aid in unraveling the process of crystallization.

}, issn = {1528-7483}, doi = {10.1021/cg5005227}, author = {Tamboli, Majid I. and Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000329886900036, title = {Cu(II) conjugation along the transformation of a vitamin K-3 derivative to a dinaphthoquinone methide radical}, journal = {New Journal of Chemistry}, volume = {38}, number = {1}, year = {2014}, month = {JAN}, pages = {277-284}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

1,1{\textquoteright}-Methide-bi-vitamin K-3 (B) has been isolated as a dinaphthoquinone methide radical (DNQM) by the transformation of 1-imino(acetylhydrazino)-vitamin K-3 (A). The transformation follows a biomimetic activation pathway mediated via Cu(II) ion catalyzed oxidative coupling. Single crystal X-ray and electron spin resonance (ESR) experiments combined with density functional calculations elucidate the {\textquoteleft}{\textquoteleft}resonance structure{\textquoteright}{\textquoteright} of the DNQM radical (B). Fluorescence investigations reveal that DNQM facilitates interaction with the cysteine residue. As compared to the parent substrate, B shows a depletion in the level of GSH, triggering apoptosis in HeLa cells.

}, issn = {1144-0546}, doi = {10.1039/c3nj00783a}, author = {Badave, Kirti D. and Patil, Shalaka S. and Khan, Ayesha A. and Srinivas, Darbha and Butcher, Raymond J. and Gonnade, Rajesh G. and Puranik, Vedavati G. and Pinjari, Rahul V. and Gejji, Shridhar P. and Rane, Sandhya Y.} } @article { ISI:000339729400018, title = {CVD synthesis of graphene nanoplates on MgO support}, journal = {Materials Science-Poland}, volume = {32}, number = {2}, year = {2014}, month = {JUN}, pages = {243-246}, publisher = {OFICYNA WYDAWNICZA POLITECHNIKI WROCLAWSKIEJ}, address = {WYBRZEZE WYSPIANSKIEGO 27, 50-370 WROCLAW, POLAND}, abstract = {

Synthesis of graphene directly on MgO has been carried out and the structural properties of the obtained material have been investigated. Few-layered graphene was produced by simple thermal decomposition of methane over MgO powder at 950 A degrees C in a CVD reactor. The samples were purified by 10 N HNO3 treatment, and studied by TEM, Raman spectroscopy, EDAX and SEM. TEM clearly indicated the formation of graphene. EDAX showed that the purified sample contained only carbon and no traces of MgO. The characteristic Raman features of graphene were also seen as D-band at 1316 cm(-1), G-band at 1602 cm(-1), and a small 2D-band at 2700 cm(-1) in the Raman spectra. The strong D-band suggests that the graphene possess large number of boundary defects. The small 2D-band indicates the formation of few-layered graphene.

}, keywords = {graphene, magnesium oxide, nanographene}, issn = {2083-1331}, doi = {10.2478/s13536-013-0193-6}, author = {Jugade, Ravin M. and Sharma, Shalini and Gokhale, Suresh} } @article { ISI:000343958900048, title = {Design and development of POCN-pincer palladium catalysts for C-H bond arylation of azoles with aryl iodides}, journal = {Dalton Transactions}, volume = {43}, number = {42}, year = {2014}, month = {NOV}, pages = {16084-16096}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{Well-defined and efficient POCN-ligated palladium complexes have been developed for the direct C H bond arylation of azoles with aryl iodides. The phosphinite-amine pincer ligands 1-(R2PO)-C6H4-3-((CH2NPr2)-Pr-i) 1R2POCNIPr2-H; R = {\textquoteleft}Pr (1a)

}, issn = {1477-9226}, doi = {10.1039/c4dt01547a}, author = {Khake, Shrikant M. and Soni, Vineeta and Gonnade, Rajesh G. and Punji, Benudhar} } @article { ISI:000341619500004, title = {Design of efficient metal-free organic dyes having an azacyclazine scaffold as the donor fragment for dye-sensitized solar cells}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {36}, year = {2014}, month = {SEP}, pages = {20763-20771}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The energy conversion efficiency of dye-sensitized solar cells derived from organic dye molecules has seen immense interest recently. In this work, we report a series of organic donor molecules with enhanced energy conversion efficiency using ?-spacers and cyanoacrylic acid as an anchoring group (2-6). Density functional theory (DFT) and time-dependent DFT calculations of these molecules have been performed to examine their electronic structures and absorption spectra before and after binding to the semiconductor titanium dioxide surface. The computational results suggest that dyes 4 and 6 have a larger driving force (Delta G(inject) = -1.66 and -1.80 eV, respectively) and light-harvesting efficiency (LHE = 0.99) in the series of donor molecules studied. Thus, these dyes should possess a larger short-circuit photocurrent density (J(sc)) compared to the other examined dyes. The reported Delta G(inject) (-1.62 eV) and LHE (0.98) for compound 1, calculated with the same level of theory, were lower than those of the designed 4 and 6 dyes. Furthermore, the DFT calculations showed that the open-circuit photovoltage (V-oc) is improved with the vertical dipole moment and number of photoinjected electrons for 4 and 6. Dyes 4 and 6 are expected to exhibit high solar-energy-to-electricity conversion.

}, issn = {1932-7447}, doi = {10.1021/jp5049953}, author = {Biswas, Abul Kalam and Barik, Sunirmal and Sen, Anik and Das, Amitava and Ganguly, Bishwajit} } @article { ISI:000337149900033, title = {Design, synthesis and cytotoxicity of novel N-benzylpiperidin-4-one oximes on human cervical cancer cells}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {3}, year = {2014}, month = {MAY}, pages = {861-873}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A series of fifteen diversified N-benzylpiperidin-4-one oximes were synthesized and characterized by their NMR spectral data. Additionally, single-crystal XRD analysis was performed for the representative symmetrically and unsymmetrically substituted molecules. All the synthesized oximes from unsymmetrical ketones existed as E-isomer as witnessed by their NMR and XRD data. Among the synthesized target compounds that evaluated for their in vitro cytotoxicity against human cervical carcinoma (HeLa) cells, five compounds were potent with IC50 \< 17 mu M. 1-Benzyl-2,6-bis(4-isopropylphenyl)-3-methylpiperidin-4-one oxime 3c with an IC50 of 13.88 mu M was found to be the best active compound as depicted by the microscopic analysis.

}, keywords = {Cytotoxicity, HeLa cells, N-benzylpiperidin-4-one oximes, single-crystal XRD}, issn = {0974-3626}, doi = {10.1007/s12039-014-0622-z}, author = {Dindulkar, Someshwar D. and Bhatnagar, Ira and Gawade, Rupesh L. and Puranik, Vedavati G. and Kim, Se-Kwon and Anh, Dong Hyun and Parthiban, Paramasivam and Jeong, Yeon Tae} } @article {43307, title = {Determination of optimum values of descriptors to set filters for synthetic tri-pyrrole derivatives (prodiginines) against multi drug resistant strain of plasmodium falciparum}, journal = {Current Research in Drug Discovery}, volume = {1}, year = {2014}, month = {JAN}, pages = {51-59}, abstract = {

Abstract: In the present study, we have carried out extensive non-linear Quantitative-Structure Activity Relationship (QSAR) analysis to correlate in vitro anti-malarial activity against multi drug resistant strain of Plasmodium falciparum. Forty-three synthetic prodiginines with different structural features were used for their potential antimalarial activity. Linear, bilinear, biexponential and parabolic equations were developed. These equations were compared to determine the optimum values of descriptors for very useful and easily interpretable descriptors. The optimum values of these descriptors could be helpful in finding and optimizing a good lead compound. Obtained correlations reveal that various factors like lipophilicity, molecular weight and number of bonds have non-linear relation with the anti-malarial activity. Keywords: Prodiginines, Anti-Malarial Activity, Optimum/Desirability Values, Hybrid Inverse-QSAR

}, doi = {10.3844/crddsp.2014.51.59}, author = {Masand, Vijay H. and Mahajan, Devidas T. and Pourbasheer, Eslam and Hadda, Taibi Ben and Chauhan, Harsh and Gajbhiye, Jayant M. and Alafeefy, A. M.} } @article {42441, title = {Diels-alder reaction of tropones with arynes: synthesis of functionalized benzobicyclo[3.2.2]nonatrienones}, journal = {Journal of Organic Chemistry}, volume = {79}, year = {2014}, month = {APR}, pages = {4757{\textendash}4762}, abstract = {

A new procedure for the mild, practical, and scalable Diels{\textendash}Alder reaction of tropones with arynes is reported. Differently substituted tropones undergo selective [4 + 2] cycloaddition with arynes generated in situ by the fluoride-induced 1,2-elimination of 2-(trimethylsilyl)aryl triflates, allowing the formation of functionalized benzobicyclo[3.2.2]nonatrienone derivatives in moderate to good yields. In addition, the photophysical properties of the cycloadducts are presented.

}, doi = {10.1021/jo500819w}, author = {Thangaraj, Manikandan and Bhojgude, Sachin Suresh and Bisht, Rajesh H. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000341800200002, title = {Differential antibiosis against helicoverpa armigera exerted by distinct inhibitory repeat domains of capsicum annuum proteinase inhibitors}, journal = {Phytochemistry}, volume = {101}, year = {2014}, month = {MAY}, pages = {16-22}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Plant defensive serine proteinase inhibitors (Pis) are known to have negative impact on digestive physiology of herbivore insects and thus have a crucial role in plant protection. Here, we have assessed the efficacy and specificity of three previously characterized inhibitory repeat domain (IRD) variants from Capsicum annuum PIs viz., IRD-7, -9 and -12 against gut proteinases from Helicoverpa armigera. Comparative study of in silico binding energy revealed that IRD-9 possesses higher affinity towards H. armigera serine proteinases as compared to IRD-7 and -12. H. armigera fed on artificial diet containing 5 TIU/g of recombinant IRD proteins exhibited differential effects on larval growth, survival rate and other nutritional parameters. Major digestive gut trypsin and chymotrypsin genes were down regulated in the IRD fed larvae, while few of them were up-regulated, this indicate alterations in insect digestive physiology. The results corroborated with proteinase activity assays and zymography. These findings suggest that the sequence variations among Pis reflect in their efficacy against proteinases in vitro and in vivo, which also could be used for developing tailor-made multi-domain inhibitor gene(s). (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Capsicum annuum, Helicoverpa armigera, Inhibitory repeat domain, Proteases, Proteinase inhibitors}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2014.01.011}, author = {Joshi, Rakesh S. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000331020000004, title = {Differential transcriptional activity of SAD, FAD2 and FAD3 desaturase genes in developing seeds of linseed contributes to varietal variation in alpha-linolenic acid content}, journal = {Phytochemistry}, volume = {98}, year = {2014}, month = {FEB}, pages = {41-53}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Linseed or flax (Linum usitatissimum L.) varieties differ markedly in their seed a-linolenic acid (ALA) levels. Fatty acid desaturases play a key role in accumulating ALA in seed. We performed fatty acid (FA) profiling of various seed developmental stages of ten Indian linseed varieties including one mutant variety. Depending on their ALA contents, these varieties were grouped under high ALA and low ALA groups. Transcript profiling of six microsomal desaturase genes (SAD1, SAD2, FAD2, FAD2-2, FAD3A and FAD3B), which act sequentially in the fatty acid desaturation pathway, was performed using real-time PCR. We observed gene specific as well as temporal expression pattern for all the desaturases and their differential expression profiles corresponded well with the variation in FA accumulation in the two groups. Our study points to efficient conversion of intermediate FAs [stearic (SA), oleic (OA) and linoleic acids (LA)] to the final product, ALA, due to efficient action of all the desaturases in high ALA group. While in the low ALA group, even though the initial conversion up to OA was efficient, later conversions up to ALA seemed to be inefficient, leading to higher accumulation of OA and LA instead of ALA. We sequenced the six desaturase genes from the ten varieties and observed that variation in the amino acid (AA) sequences of desaturases was not responsible for differential ALA accumulation, except in the mutant variety TL23 with very low (\<2\%) ALA content. In TL23, a point mutation in the FAD3A gene resulted into a premature stop codon generating a truncated protein with 291 AA. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {ALA, Fatty acid desaturases, Fatty acids, Flax, Gene expression, Linseed}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2013.12.002}, author = {Rajwade, Ashwini V. and Kadoo, Narendra Y. and Borikar, Sanjay P. and Harsulkar, Abhay M. and Ghorpade, Prakash B. and Gupta, Vidya S.} } @article { ISI:000337637100017, title = {Disordered mesoporous TiO2-xNx+Nano-Au: an electronically integrated nanocomposite for solar H-2 generation}, journal = {ChemCatChem}, volume = {6}, number = {2}, year = {2014}, month = {FEB}, pages = {522-530}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We report on H-2 generation by photocatalysis driven by simulated white light by electronically integrated Au nanoparticles with multifunctional, disordered mesoporous TiO2-xNx (Au-NT) nanocomposites. Solar H-2 generation (1.5 mmolh(-1)g(-1)) from aqueous methanol has been demonstrated with Au-NT nanocomposites. The water splitting activity of Au-NT is attributed to the 21.1 ps lifetime of charge carriers observed from fluorescence lifetime measurements, which indicates a high electron-injection efficiency from nano-Au to the conduction band of TiO2, and hence charge separation as well as utilization. This is directly supported by the observation of a high photoluminescence emission intensity with Au-NT that highlights the energy transfer from nano-Au to TiO2. The p-n heterojunction observed between the Au (001) and TiO2 (101) facets helps to-wards the higher charge separation and their utilization. A low mesochannel depth (\< 10 nm) associated with disordered mesoporous TiO2-xNx helps the charge carriers to move towards the surface for redox reactions and hence charge utilization. Visible-light absorption, as a result of the surface plasmon resonance of nano-Au, is observed in a broad range between 500 and 750 nm, which helps in harvesting visible-light photons. Finally, electronically integrated nano-Au with TiO2-xNx in Au-NT is evident from Raman and X-ray photoelectron spectroscopy measurements. All of these factors help to achieve a high rate of H-2 production. It is likely that a higher rate of H-2 production than that reported here is feasible by strategically locating Au clusters in porous TiO2 to generate hot spots through electronic integration.

}, keywords = {heterogeneous catalysis, Hydrogen, mesoporous materials, photochemistry, water splitting}, issn = {1867-3880}, doi = {10.1002/cctc.201300715}, author = {Sivaranjani, Kumarsrinivasan and Rajaambal, Sivaraman and Das, Tanmay and Roy, Kanak and Bhattacharyya, Somnath and Gopinath, Chinnakonda S.} } @article { ISI:000339090400033, title = {Distinctive PdCl2-mediated transformation of Fe-based metallogels into metal-organic frameworks}, journal = {Crystal Growth \& Design}, volume = {14}, number = {7}, year = {2014}, month = {JUL}, pages = {3434-3437}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Simple, efficient conversion of viable Fe3+-based metallogels into Fe-metal-organic frameworks (MOFs) has been achieved by PdCl2-mediated gel degradation. The metallogels and the resulting MOFs have been characterized, and a probable mechanism for the event has been elucidated.

}, issn = {1528-7483}, doi = {10.1021/cg500368q}, author = {Aiyappa, Harshitha Barike and Saha, Subhadeep and Garai, Bikash and Thote, Jayshri and Kurungot, Sreekumar and Banerjee, Rahul} } @article { ISI:000341409900005, title = {Donor decomposition by lewis acids in Ziegler-Natta catalyst systems: a computational investigation}, journal = {Organometallics}, volume = {33}, number = {17}, year = {2014}, month = {SEP}, pages = {4357-4367}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The development of new donors (Lewis bases, usually containing oxygen atoms) is one of the chief areas of research in Ziegler-Natta (ZN) olefin polymerization systems. The addition of such donors has led to improvement in the activity and selectivity of ZN systems. However, in order for the donor to be effective, it has to be chemically stable and resistant to decomposition by Lewis acidic species such as AlEt3. Discussed in the current work is the chemical stability of different ester donors, including aromatic benzoate donors and the silyl ester-a promising new donor class in ZN systems. Full quantum chemical calculations with density functional theory (DFT) indicate that esters can undergo decomposition through different pathways upon interaction with species such as the AlEt3 dimer: Al2Et6. Moreover, the studies show that the active, supported titanium catalyst species can cause donor decomposition and, in fact, is likely to be the greater threat to donor decomposition than Al2Et6. This explains why the addition of excess donors can lead to the poisoning of the active site in ZN systems. We have also computationally investigated means of improving the silyl ester donors in order to make them more robust and resilient to donor decomposition by Al2Et6 and the supported active titanium species.

}, issn = {0276-7333}, doi = {10.1021/om5001259}, author = {Kumawat, Jugal and Gupta, Virendra Kumar and Vanka, Kumar} } @article { ISI:000334895800014, title = {Effect of method of preparation on hydrodesulphurization activity of Co- or Ni-promoted MoS2/SBA-15 catalysts}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {2, SI}, year = {2014}, note = {21st National Symposium on Catalysis (CATSYMP), CSIR Indian Inst Chem Technol, Hyderabad, INDIA, FEB 11-13, 2013}, month = {MAR}, pages = {437-444}, publisher = {Catalysis Soc India}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Ordered mesoporous material SBA-15 was synthesized and used as a support for the preparation of molybdenum sulphide catalysts through precipitation from homogeneous solution (PFHS) technique with the Mo content varying from 2-12 wt\%. The prepared catalysts were evaluated for thiophene hydrodesulphurizadon catalytic activities at 400 degrees C. Catalysts prepared through PFHS method resulted in highly dispersed MoS2 catalysts, which were inferred from powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), low temperature oxygen chemisorptions (LTOC) and BET surface area analysis. The relationship between XPS intensity ratio, oxygen chemisorption and catalytic activities is discussed in terms of highly dispersed nano particles of MoS2 and its consequence in accommodating more promoted atoms at the edge sites.

}, keywords = {HDS, MoS2, PFHS method, promotional effects, SBA-15}, issn = {0974-3626}, author = {Garg, Shelu and Soni, Kapil and Prasad, V. V. D. N. and Kumar, Manoj and Bhaskar, Thallada and Gupta, J. K. and Dhar, G. Murali and Gopinath, Chinnakonda S.} } @article { ISI:000335620500016, title = {Effect of self-assembly on triiodide diffusion in water based polymer gel electrolytes: an application in dye solar cell}, journal = {Journal of Colloid and Interface Science}, volume = {425}, year = {2014}, month = {JUL}, pages = {110-117}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The preparation of ordered polymer gels from the amphiphilic block copolymers, Pluronic (R) F77, P123 and polyethylene glycol in the presence of ionic liquid, iodine and organic additives is presented. At 35\%(w/w) concentration these copolymers (F77 and P123) self-assembled into cubic liquid crystalline phase in aqueous solution and characterized by using SAXS and AFM measurements. The effects of micellar aggregation formed by polymers on the ionic transport and triiodide diffusion have been studied by electro-chemistry and SANS experiments. The ionic migration or triiodide diffusion through these polymer gels is found to be affected by the PEO/PPO content in the polymer backbone. These gels were successfully employed as an electrolyte in a dye sensitized solar cell. A remarkable solar to electricity conversion efficiency and good stability was obtained using Pluronic (R) F77 based gel, which is attributed to its thermoreversible sol to gel transition. (C) 2014 Elsevier Inc. All rights reserved.

}, keywords = {Amphiphilic block copolymer, Dye solar cell, Micellar nanochannels, SANS, SAXS, Self-assembly, Water based gel electrolytes}, issn = {0021-9797}, doi = {10.1016/j.jcis.2014.03.047}, author = {Soni, S. S. and Fadadu, K. B. and Vekariya, R. L. and Debgupta, Joyashish and Patel, K. D. and Gibaud, A. and Aswal, Vinod K.} } @article { ISI:000328665300008, title = {Effect of SnO2/Al2O3 ratio of Si-based MFI on its acidity and hydrophobicity: application in selective hydroxyalkylation of p-cresol}, journal = {Catalysis Communications}, volume = {44}, number = {SI}, year = {2014}, month = {JAN}, pages = {29-34}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Silica based MR type molecular sieves with various SnO2/Al2O3 ratios were synthesized from gels having molar compositions SiO2:xSnO(2):yAl(2)O(3):0.23(TPA)(2)O:35H(2)O where 0 \<= x \<= 0.02 and 0 \<= y \<= 0.01. Recyclable, Al-free Sn-MFI catalyst showed 31\% conversion of formaldehyde with 100\% selectivity to 2,2{\textquoteright}-methylenebis(4-methylphenol) in hydroxyalkylation of p-cresol with formaldehyde on account of moderate acidity and higher hydrophobicity. (C) 2013 Elsevier B.A. All rights reserved.

}, keywords = {Al-27 MAS NMR, Hydroxyalkylation, Molecular sieves, p-Cresol, Stannosilicate}, issn = {1566-7367}, doi = {10.1016/j.catcom.2013.08.002}, author = {Garade, Ajit C. and Malwadkar, A. V. and Niphadkar, P. S. and Jha, Ratnesh Kumar and Joshi, P. N. and Rode, C. V.} } @article { ISI:000331163900009, title = {Efficient synthesis of 9-aryldihydrophenanthrenes by a cascade reaction involving arynes and styrenes}, journal = {Organic Letters}, volume = {16}, number = {3}, year = {2014}, month = {FEB}, pages = {676-679}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A mild, general, and transition-metal-free protocol for the synthesis of 9,10-dihydrophenanthrenes is reported. The aryne generated by the fluoride-induced,1,2-elimination of 2-(trimethylsilyl)aryl triflates undergoes an efficient cascade reaction initiated by the Diels-Alder reaction with the differently substituted styrenes leading to the formation of 9-aryl-9,10-dihydrophenanthrene derivatives in moderate to good yields.

}, issn = {1523-7060}, doi = {10.1021/ol4033094}, author = {Bhojgude, Sachin Suresh and Bhunia, Anup and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000335226700033, title = {Efficient synthesis of glycerol carbonate/glycidol using 1,8-diazabicyclo [5.4.0] undec-7-ene (DBU) based ionic liquids as catalyst}, journal = {RSC Advances}, volume = {4}, number = {33}, year = {2014}, month = {FEB}, pages = {17124-17128}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Transesterification of dimethyl carbonate with glycerol to glycerol carbonate has been catalyzed efficiently using basic ionic liquids as catalysts. Activity of all the ILs tested is very high and the best result (96\% conversion with 82\% selectivity to glycerol carbonate and 18\% selectivity to glycidol) was obtained using IL1 as catalyst. The effect of catalyst loading has significant influence on the selectivity pattern. The higher activity of the ionic liquid is explained with a plausible mechanism based on the co-operative effect of both cation and anion.

}, issn = {2046-2069}, doi = {10.1039/c3ra47433j}, author = {Munshi, Mudassir K. and Biradar, Pradeep S. and Gade, Swapna M. and Rane, Vilas H. and Kelkar, Ashutosh A.} } @conference {46368, title = {Electrokinetic properties of PMAA functionalized NiFe2O4 nanoparticles synthesized by thermal plasma route}, booktitle = {Solid State Physics: Proceedings of the 58th Dae Solid State Physics Symposium 2013, PTS A \& B}, year = {2014}, month = {DEC}, publisher = {Board Res Nucl Sci; Dept Atom Energy; Govt India}, organization = {Board Res Nucl Sci; Dept Atom Energy; Govt India}, address = {2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA}, abstract = {

The magnetic nickel ferrite (NiFe2O4) nanoparticles with an average size of 30nm were synthesised by Transferred arc DC Thermal Plasma route. The synthesized nickel ferrite nanoparticles were characterized by TEM and FTIR techniques. The synthesized nickel ferrite nanoparticles were further functionalized with PMAA (polymethacrylic acid) by self emulsion polymerization method and subsequently were characterized by FTIR and Zeta Analyzer. The variation of zeta potential with pH was systematically studied for both PMAA functionalized (PNFO) and uncoated nickel ferrite nanoparticles (NFO). The IEP (isoelectric points) for PNFO and NFO was determined from the graph of zeta potential vs pH. It was observed that the IEP for NFO was at 7.20 and for PNFO it was 2.52. The decrease in IEP of PNFO was attributed to the COOH functional group of PMAA.

}, keywords = {IEP, NiFe2O4, PMAA, Thermal plasma, Zeta potential}, isbn = {978-0-7354-1225-5}, doi = {10.1063/14873080}, author = {Bhosale, Shivaji V. and Mhaske, Pravin and Kanhe, N. and Navale, A. B. and Bhoraskar, S. V. and Mathe, V. L. and Bhatt, S. K.}, editor = {Murli, C and Bhattacharyya, D and Gadkari, SC} } @article { ISI:000343974100018, title = {Electronic structure-sunlight driven water splitting activity correlation of (Zn1-yGay)(O1-zNz)}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {43}, year = {2014}, month = {SEP}, pages = {23654-23662}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

(Zn1-yGay)(O1-zNz) (y \<= 0.10; z \<= 0.15) solid solutions have been investigated for their electronic structure and visible light photocatalytic activity, and a correlation was found between them. (Zn1-yGay)(O1-zNz) with ZnO as the major component have been synthesized by a solution combustion method in 10 minutes using simple raw materials. The local structures of Zn K edge and Ga K edge, and changes in the chemical environment with the incorporation of Ga and N in ZnO were determined by EXAFS study. EXAFS and XRD results suggested the dissolution of GaN in the ZnO lattice. The homogeneity of the solid solution was demonstrated from HRTEM studies. Photoluminescence studies revealed the creation of a new band at the top of the ZnO valence band (VB), and thus the broadening of the VB of (Zn1-yGay)(O1-zNz) or a decrease in the band gap was attributed to the origin of visible light absorption. UV-Vis spectral studies showed light absorption up to 550 nm, which directly supports the VB broadening. Predominant oxygen vacancies and high photocorrosion observed for ZnO were fully suppressed for (Zn1-yGay)(O1-zNz) , indicating the minimization of defects, and thus more sustainability under irradiation conditions. The bare solid solution exhibited reasonable and promising activity for solar hydrogen evolution and photoelectrochemical current generation at 0 V. The present work explained factors such as the preparation method, single phase structure with the stabilization of integral parts, homogeneity in the structure, compensation of oxygen vacancies, and suppression of the density of recombination centres that play a pivotal role in realizing solar energy harvesting.

}, issn = {1463-9076}, doi = {10.1039/c4cp03640a}, author = {Rajaambal, Sivaraman and Yadav, A. K. and Jha, Shambhu Nath and Bhattacharyya, Dibyendu and Gopinath, Chinnakonda S.} } @article { ISI:000334898800032, title = {Electronically and catalytically functional carbon cloth as a permeable and flexible counter electrode for dye sensitized solar cell}, journal = {Electrochimica Acta}, volume = {123}, year = {2014}, month = {MAR}, pages = {248-253}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In this work we demonstrate that a conducting carbon cloth obtained by one-step pyrolysis of easily available cellulose fabric competes favorably with the commonly employed expensive platinum/FTO system as a counter electrode for dye sensitized solar cell (DSSC). In view of the low carbonization temperature (1000 degrees C) which forbids full graphitization, the nature of carbon in this case is represented by topologically randomly assembled nanoscale graphene units (turbostratic carbon). This morphology has high density of edge states and oxygen containing surface groups rendering multitude of catalytic sites for the reduction of I-3(-). Moreover the cloth is permeable to the dye and/or liquid electrolyte and its absorption properties also help retain the electrolyte. A fairly high efficiency of 5.8\% is achieved using such cloth as a counter electrode as against 7\% with the conventional Pt/FTO system. Moreover, the permeable property of the cloth eliminates a complete step of drilling hard TCO substrates for final dispensing of electrolyte into the device and the sealing process is also facile. In fact even the dye can be dispensed through the cloth. Finally, the flexibility of the carbon cloth can adapt easily to flexible/wearable DSSC designs. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {conducting carbon cloth, counter electrode, DSSC, without drilling}, issn = {0013-4686}, doi = {10.1016/j.electacta.2013.12.175}, author = {Tathavadekar, Mukta and Biswal, Mandakini and Agarkar, Shruti A. and Giribabu, Lingamallu and Ogale, Satishchandra} } @article { ISI:000344989500005, title = {Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {46}, year = {2014}, month = {OCT}, pages = {25247-25250}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The red-shifts in the acetylenic C-H stretching vibration of C-H center dot center dot center dot X (X = O, N) hydrogen-bonded complexes increase with an increase in the basicity of the Lewis base. Analysis of various components of stabilization energy suggests that the observed red-shifts are correlated with the electrostatic component of the stabilization energy, while the dispersion modulates the stabilization energy.

}, issn = {1463-9076}, doi = {10.1039/c4cp04617j}, author = {Dey, Arghya and Mondal, Sohidul Islam and Sen, Saumik and Ghosh, Debashree and Patwari, G. Naresh} } @article {46383, title = {Engineering of the tat pathway and chaperons}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {APR}, pages = {C273}, type = {Meeting Abstract}, keywords = {Protein transport, Signal sequence, Tat Pathway}, issn = {2053-2733}, author = {Ghosh, Deepanjan and Ramasamy, Sureshkumar} } @article { ISI:000340520500055, title = {Enhanced catalytic activity of polyethylenedioxythiophene towards tri-iodide reduction in DSSCs via 1-dimensional alignment using hollow carbon nanofibers}, journal = {Nanoscale}, volume = {6}, number = {17}, year = {2014}, month = {JUL}, pages = {10332-10339}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Here, we report a highly conducting 1-dimensionally (1-D) aligned polyethylenedioxythiophene (PEDOT) along the inner and outer surfaces of a hollow carbon nanofiber (CNF) and its application as a counter electrode in a dye sensitized solar cell (DSSC). The hybrid material (CP-25) displays a conversion efficiency of 7.16\% compared to 7.30\% for the standard Pt counter electrode, 4.48\% for bulk PEDOT and 5.56\% for CNF. The enhanced conversion efficiency of CP-25 is attributed to the accomplishment of high conductivity and surface area of PEDOT through the 1-D alignment compared to its bulk counterpart. Reduced charge transfer resistance and high conductivity of CP-25 could be proven by cyclic voltammetry, impedance analysis and Tafel experiments. Further, through a long-term stability test involving efficiency profiling for 20 days, it is observed that CP-25 possesses excellent durability compared to the bulk PEDOT.

}, issn = {2040-3364}, doi = {10.1039/c4nr00717d}, author = {Anothumakkool, Bihag and Game, Onkar S. and Bhange, Siddheshwar N. and Kumari, Tanya and Ogale, Satishchandra B. and Kurungot, Sreekumar} } @conference { ISI:000352795700066, title = {Enhancement in the field emission behavior of graphene in N-2/O-2 high vacuum ambience}, booktitle = {2014 27th International Vacuum Nanoelectronics Conference (IVNC) }, series = {International Vacuum Nanoelectronics Conference}, year = {2014}, note = {27th International Vacuum Nanoelectronics Conference (IVNC), Engelberg, SWITZERLAND, JUL 06-10, 2014}, month = {JUL}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, organization = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {Engelberg, Switzerland}, abstract = {

Herein we report, pressure dependent field emission (FE) behaviour of a few-layer graphene emitter. Gas dependent FE properties have been investigated in ultra high vacuum (UHV), as well as in N-2 and O-2 ambience at base pressure similar to 1x10(-6) torr. Interestingly, the graphene emitter when operated in N-2/O-2 ambience exhibits lower turn-on field and higher emission current density, as compared to the UHV conditions. The emission current stability investigated at preset value of similar to 1 mu A over the period of more than 2 hrs is found better in the N2 ambience and is characterized by fewer fluctuations, in contrast to the behaviour in the O-2 ambience. The observed enhanced electron emission behavior in N-2/O-2 ambience is attributed to modulation of the work function of graphene emitter.

}, keywords = {graphene, Pressure Dependent Field Emission}, isbn = {978-1-4799-5306-6}, issn = {2164-2370}, doi = {10.1109/IVNC.2014.6894791}, author = {Suryawanshi, S. R. and Kolhe, Pankaj S. and Gavhane, D. S. and Patil, S. S. and Chavan, P. G. and More, Mahendra A. and Late, Dattatray J.}, editor = {Tsujino, S. and Gobrecht, J. and Paraliev, M. and Braun, H. H. and Groening, O. and Feurer, T.} } @article { ISI:000336254200003, title = {Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement}, journal = {CrystEngComm}, volume = {16}, number = {22}, year = {2014}, month = {JUN}, pages = {4677-4680}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Three Co based Zeolitic Imidazolate Frameworks (Co-ZIF-68, -69 and -81) which adopt a GME topology with high porosity have been synthesized. These Co-ZIFs show high CO2 (273 K/298 K) uptake compared to their isostructural Zn based analogues, which has been proved experimentally as well as by ab initio calculations.

}, issn = {1466-8033}, doi = {10.1039/c3ce42075b}, author = {Panda, Tamas and Gupta, Krishna M. and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000346371700012, title = {Evaluation of genetic variability in Symplocos laurina Wall. from two biodiversity hotspots of India}, journal = {Plant Systematics and Evolution}, volume = {300}, number = {10}, year = {2014}, month = {DEC}, pages = {2239-2247}, publisher = {SPRINGER WIEN}, address = {SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA}, abstract = {

Symplocos laurina Wall., an important medicinal tree species, is one of the pioneering plants for establishment of shola forest ecosystem. We analyzed 208 accessions of S. laurina from 13 populations belonging to three ecoregions in India namely, Western Ghats, Eastern Ghats and Northeast India, to comment on the genetic diversity and population structure of the species. Of the 100 inter simple sequence repeat primers screened, eight were selected based on their clear and reproducible polymorphic patterns. These eight ISSR primers produced on an average 1,014 bands from 208 accessions, of which 6.58 \% were rare bands, 55.96 \% were shared bands and 37.46 \% were similar bands. The primers, UBC835 and UBC880, amplified the highest number of polymorphic loci (16), while the primer UBC852 amplified the least number of amplicons (9). The values for total genetic diversity (H-T) and the average heterozygosity (H-S) were 0.3407 and 0.2263, respectively; while the coefficient of genetic differentiation (G(ST)) was 0.3358. Within-population variance was higher (68 \%) than among-population variance (17 \%), indicating high intra-population genetic diversity. These populations were grouped according to their geographical location in cluster analysis. Mantel test also showed significant positive correlation between genetic and geographical distances. The present study revealed the importance of the Palghat gap in South India in shaping the distribution of genetic diversity in S. laurina.

}, keywords = {Biodiversity hotspots, Genetic diversity, ISSR, Palghat gap, Symplocos laurina}, issn = {0378-2697}, doi = {10.1007/s00606-014-1046-4}, author = {Bhagwat, Rasika M. and Banu, Sofia and Dholakia, Bhushan B. and Kadoo, Narendra Y. and Lagu, Meena D. and Gupta, Vidya S.} } @article { ISI:000327771500117, title = {Evaluation of n-type ternary metal oxide NiMn2O4 nanomaterial for humidity sensing}, journal = {Sensors and Actuators B-Chemical}, volume = {191}, year = {2014}, month = {FEB}, pages = {837-843}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Synthesis of mono-dispersed oleic acid (OA) capped NiMn2O4 (NMO) nanoparticles and their use for humidity sensing is reported. Oleic acid capped NMO (NMO-cOA) nanoparticles are synthesized from nickel oleate and manganese oleate complex. NiMn2O4 is obtained by removing oleic acid capping at 500 degrees C in air. X-ray diffraction analysis shows formation of pure NiMn2O4 phase which is also confirmed by HRTEM-SAED analysis. The TEM analysis also shows that the nanoparticles are nearly mono-dispersed. Doctor bladed films of NMO nanoparticles are seen to exhibit excellent humidity sensing property. The resistivity is seen to change by two orders with humidity change from 11\% RH to 92\% RH with fairly good linearity over the entire range. The response and recovery times are also fast. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Humidity, Impedance, Nanoparticles, NiMn2O4, Oleic acid, Sensor}, issn = {0925-4005}, doi = {10.1016/j.snb.2013.10.071}, author = {Gawli, Yogesh and Badadhe, Satish S. and Basu, Aniruddha and Guin, Debanjan and Shelke, Manjusha V. and Ogale, Satishchandra} } @article { ISI:000332782600001, title = {Extracellular biosynthesis of gadolinium oxide (Gd2O3) nanoparticles, their biodistribution and bioconjugation with the chemically modified anticancer drug taxol}, journal = {Beilstein Journal of Nanotechnology}, volume = {5}, year = {2014}, month = {MAR}, pages = {249-257}, publisher = {BEILSTEIN-INSTITUT}, type = {Article}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {

As a part of our programme to develop nanobioconjugates for the treatment of cancer, we first synthesized extracellular, protein-capped, highly stable and well-dispersed gadolinium oxide (Gd2O3) nanoparticles by using thermophilic fungus Humicola sp. The biodistribution of the nanoparticles in rats was checked by radiolabelling with Tc-99m. Finally, these nanoparticles were bioconjugated with the chemically modified anticancer drug taxol with the aim of characterizing the role of this bioconjugate in the treatment of cancer. The biosynthesized Gd2O3 nanoparticles were characterized by UV-vis spectroscopy, transmission electron microscopy (TEM), X-ray diffraction (XRD) and X-ray photoemission spectroscopy (XPS). The Gd2O3-taxol bioconjugate was confirmed by UV-vis spectroscopy and fluorescence microscopy and was purified by using high performance liquid chromatography (HPLC).

}, keywords = {bioconjugation, biodistribution, gadolinium oxide, humicola sp, transmission electron microscopy}, issn = {2190-4286}, doi = {10.3762/bjnano.5.27}, author = {Khan, Shadab Ali and Gambhir, Sanjay and Ahmad, Absar} } @article { ISI:000340306500026, title = {Facile esterification of carboxylic acid using amide functionalized benzimidazolium dicationic ionic liquids}, journal = {Applied Catalysis A-General}, volume = {482}, year = {2014}, month = {JUL}, pages = {214-220}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Herein, we report the synthesis of a new series of amide functionalized dicationic benzimidazolium based ionic liquids (DBimILs) and appraised their efficacy towards perceptive esterification of carboxylic acids with alkyl/allyl/aryl halides in presence of triethylamine. The amide groups present in this new series of DBimILs are expected to form hydrogen bonding with the carboxylic acids and this could facilitate the esterification reactions under mild conditions devoid of any added catalyst or organic solvent. The plausible mechanism for the enhanced catalytic activity in presence of this new series of ILs has been proposed. The corresponding alkyl/allyl/aryl esters isolated from this reaction were of high purity after simple extraction, which wipe out the necessity for further purification. This protocol addresses clean methodology and the efficient recyclability as well as reusability of the catalyst. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Benzimidazolium, Dicationic ionic liquids, Esterification, Homogenous catalysis}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.06.004}, author = {Muskawar, Prashant Narayan and Thenmozhi, K. and Gajbhiye, Jayant M. and Bhagat, Pundlik Rambhau} } @article {45972, title = {Facile gamma radiolytic synthesis of synergistic Co3O4-rGO nanocomposite: direct use in photocatalytic water splitting}, journal = { Materials Research Express}, volume = {1}, year = {2014}, month = {DEC}, pages = {045507}, type = {Artical}, abstract = {

Nanostructured Co3O4 was synthesized through a gamma (gamma)-radiolysis technique using alcoholic (iso-propanol) salt solutions of cobalt ions with and without suspended graphene oxide (GO) nanoparticles, respectively. Formation of Co3O4 accompanied with GO reduction takes place simultaneously (in situ) upon.-ray exposure carried out at a rate of 5.1 KGy h(-1). Reduction of GO and formation of Co3O4 were confirmed by XRD, Raman and UV-vis spectroscopy. XRD and HRTEM results supports the embedding of nano-crystalline Co3O4 in an amorphous matrix. Relatively larger crystallites of cobalt oxide obtained in the presence of rGO proved to be a decisive supporting material for the directional growth of Co3O4. Electrochemical characterization established the fact that rGO is indeed considered as a proficient medium for electrochemical electron transfer process. Photo-assisted H-2 generation studies using Co3O4 and Co3O4-rGO nano-composite yielded 3 and 30 mu mol h(-1) g(-1) of hydrogen (H-2) generation, respectively, supports the action of rGO as an electron trap.

}, keywords = {nano cobalt oxide, photocatalytic hydrogen production, Reduced graphene oxide}, issn = {2053-1591}, doi = {10.1088/2053-1591/1/4/045507}, author = {Gupta, Bhavana and Melvin, Ambrose A. and Matthews, Tom and Dash, S. and Tyagi, A. K.} } @article { ISI:000341065800011, title = {Facile method for the synthesis of Co-core Au-shell nanohybrid}, journal = {New Journal Of Chemistry}, volume = {38}, number = {9}, year = {2014}, month = {SEP}, pages = {4107-4114}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Heterostructured Co-Au core-shell nanoparticles have been synthesized by reducing AuCl4- ions on cobalt nanoparticles after a minor but effective modification of cobalt surface by an amine. The core shell morphology is emphatically confirmed by thorough investigation through UV-Vis spectroscopy, X-ray photoelectron spectroscopy (XPS), and transmission electron microscopic analysis (TEM). The chemical composition and topography were determined using STEM-HAADF analysis and EFTEM imaging. Fourier transform infrared (FTIR) spectroscopy confirms the surface modification of Co nanoparticles and the interactions involved between the ligands and the core and shell metals at various steps of the synthetic process. The magnetic properties confirm the material to be superparamagnetic in nature.

}, issn = {1144-0546}, doi = {10.1039/c4nj00733f}, author = {Sardar, Debasmita and Neogi, S. K. and Bandyopadhyay, Sanjoy and Satpati, Biswarup and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000332144600065, title = {Facile single-step synthesis of nitrogen-doped reduced graphene oxide-Mn3O4 hybrid functional material for the electrocatalytic reduction of oxygen}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {4}, year = {2014}, month = {FEB}, pages = {2692-2699}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Development of efficient electrocatalyst based on non-precious metal that favors the four-electron pathway for the reduction of oxygen in alkaline fuel cell is a challenging task. Herein, we demonstrate a new facile route for the synthesis of hybrid functional electrocatalyst based on nitrogen-doped reduced graphene oxide (N-rGO) and Mn3O4 with pronounced electrocatalytic activity towards oxygen reduction reaction (ORR) in alkaline solution. The synthesis involves one-step in situ reduction of both graphene oxide (GO) and Mn(VII), growth of Mn3O4 nanocrystals and nitrogen doping onto the carbon framework using a single reducing agent, hydrazine. The X-ray photoelectron (XPS), Raman and FTIR spectral, and X-ray diffraction measurements confirm the reduction of GO and growth of nanosized Mn3O4. The XPS profile reveals that N-rGO has pyridinic (40\%), pyrrolic (53\%), and pyridine N oxide (7\%) types of nitrogen. The Mn3O4 nanoparticles are single crystalline and randomly distributed over the wrinkled N-rGO sheets. The hybrid material has excellent ORR activity and it favors the 4-electron pathway for the reduction of oxygen. The electrocatalytic performance of the hybrid catalyst is superior to the N-rGO, free Mn3O4 and their physical mixture. The hybrid material shows an onset potential of -0.075 V, which is 60-225 mV less negative than that of the other catalyst tested. It has excellent methanol tolerance and high durability. The catalytic current density achieved with the hybrid material at 0.1 mg cm(-2) is almost equivalent to that of the commercial Pt/C (10\%). The synergistic effect of N-rGO and Mn3O4 enhances the overall performance of the hybrid catalyst. The nitrogen in N-rGO is considered to be at the interface to bridge the rGO framework and Mn3O4 nanoparticles and facilitates the electron transfer.

}, keywords = {electrocatalysis, hybrid material, Mn3O4, nitrogen-doped graphene, oxygen reduction, synergistic effect}, issn = {1944-8244}, doi = {10.1021/am405213z}, author = {Bag, Sourav and Roy, Kanak and Gopinath, Chinnakonda S. and Raj, C. Retna} } @article { ISI:000340152000016, title = {Facile synthesis of the isoquinoline alkaloids doryanine and oxyhydrastinine}, journal = {Synthesis-Stuttgart}, volume = {46}, number = {14}, year = {2014}, month = {JUL}, pages = {1954-1956}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Starting from 4,5-(methylenedioxy)homophthalic acid, a concise and efficient synthesis of the isoquinoline alkaloids dory-anine and oxyhydrastinine is described via the corresponding homophthalimide utilizing a one-pot regioselective reductive dehydration and catalytic hydrogenation pathway.

}, keywords = {dehydration, homophthalic acid, homophthalimide, isoquinoline alkaloids, regioselective reduction}, issn = {0039-7881}, doi = {10.1055/s-0033-1341158}, author = {Jangir, Ravi and Gadre, Smita R. and N. P. Argade} } @article {46390, title = {Ferromagnetic tetranuclear Cu(II) complex: catecholase and phenoxazinone synthase activities}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C926}, type = {Meeting Abstract}, keywords = {catalysis, Ferromagnetic, Tetranuclear copper}, issn = {2053-2733}, author = {Mitra, Merry and Kundu, Tanay and Kaur, Gurpreet and Sharma, Gyaneswar and Choudhury, Angshuman Roy and Singh, Yogesh and Ghosh, Rajarshi} } @article { ISI:000341122000068, title = {Fe-TAML encapsulated inside mesoporous silica nanoparticles as peroxidase mimic: femtomolar protein detection}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {16}, year = {2014}, month = {AUG}, pages = {13866-13873}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Peroxidase, such as horseradish peroxidase (HRP), conjugated to antibodies are routinely used for the detection of proteins via an ELISA type assay in which a critical step is the catalytic signal amplification by the enzyme to generate a detectable signal. Synthesis of functional mimics of peroxidase enzyme that display catalytic activity which far exceeds the native enzyme is extremely important for the precise and accurate determination of very low quantities of proteins (fM and lower) that is necessary for early clinical diagnosis. Despite great advancements, analyzing proteins of very low abundance colorimetrically, a method that is most sought after since it requires no equipment for the analysis, still faces great challenges. Most reported HRP mimics that show catalytic activity greater than native enzyme (similar to 40-fold) are based on metal/metal-oxide nanoparticles such as Fe3O4. In this paper, we describe a second generation hybrid material developed by us in which approximately 25 000 alkyne tagged biuret modified Fetetraamido macrocyclic ligand (Fe-TAML), a very powerful small molecule synthetic HRP mimic, was covalently attached inside a 40 nm mesoporous silica nanopartide (MSN). Biuret-modified Fe-TAMLs represent one of the best small molecule functional mimics of the enzyme HRP with reaction rates in water close to the native enzyme and operational stability (pH, ionic strength) far exceeding the natural enzyme. The catalytic activity of this hybrid material is around 1000-fold higher than that of natural HRP and 100-fold higher than that of most metal/metal oxide nanoparticle based HRP mimics reported to date. We also show that using antibody conjugates of this hybrid material it is possible to detect and, most importantly, quantify femtomolar quantities of proteins colorimetrically in an ELISA type assay. This represents at least 10-fold higher sensitivity than other colorimetric protein assays that have been reported using metal/metal oxide nanoparticles as HRP mimic. Using a human IgG expressing cell line, we were able to demonstrate that the protein of interest human IgG could be detected from a mixture of interfering proteins in our assay.

}, keywords = {colorimetrically, immuno assay, MSN, peroxidase mimic, signal amplification}, issn = {1944-8244}, doi = {10.1021/am503275g}, author = {Kumari, Sushma and Dhar, Basab B. and Panda, Chakadola and Meena, Abhishek and Sen Gupta, Sayam} } @article { ISI:000343624300030, title = {First iodocyclization reaction of allene-thioureas: an efficient approach to bicyclic beta-lactams}, journal = {Tetrahedron Letters}, volume = {55}, number = {43}, year = {2014}, month = {OCT}, pages = {5998-6000}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The regioselective iodocyclization reaction of allene-thioureas is described, for the first time, for the synthesis of bicyclic beta-lactams. The substitution at the allenyl part heavily influenced the iodocyclization reaction. The iodocyclization reaction of the unsubstituted allene-thioureas afforded six-membered 3-thia-1-dethiacephems whereas, the substituted allene-thiourea afforded seven-membered thiazepines along with five-membered isopenams. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Allene, beta-Lactams, Iodocyclization, Regioselective, thiourea}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.09.004}, author = {Garud, Dinesh R. and Jadhav, Amol R. and Lahore, Santosh V. and Kahar, Nilesh M. and Joshi, Rohini R. and Joshi, Ramesh A. and Koketsu, Mamoru} } @article { ISI:000332208200024, title = {Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N, N {\textquoteleft} linkers}, journal = {CrystEngComm}, volume = {16}, number = {11}, year = {2014}, month = {DEC}, pages = {2305-2316}, abstract = {

{Dicarboxylate supported metal organic hybrids of Co(II), Zn(II) and Cd(II) have been synthesized using two different pyridyl based N, N{\textquoteright} linkers having Schiff base functionalized site. The use of flexible dicarboxylate glutarate in designing such frameworks has created a marked diversity in topology. The different N, N{\textquoteright} donor linkers also played an active part in the channel modification in the synthesized MOFs. The structural and topological diversity has been analyzed from the single crystal X-ray structure. Five compounds, {[Co(azpy)(glut)]center dot(CH3OH)}(n) (1), {[Co(meazpy)(glut)(H2O)(2)]center dot (H2O)(3)

}, author = {Dey, Rajdip and Bhattacharya, Biswajit and Pachfule, Pradip and Banerjee, Rahul and Ghoshal, Debajyoti} } @article { ISI:000330083100010, title = {Formation of a pseudo-beta-hairpin motif utilizing the Ant-Pro reverse turn: consequences of stereochemical reordering}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {5}, year = {2014}, month = {FEB}, pages = {774-782}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we report a special case of pseudo-beta-hairpin formation by tetrapetide sequences featuring a two-membered Ant Pro dipeptide motif (Ant = anthranilic acid and Pro = proline) at the loop region. These folded structures uniquely feature the presence of C9- and C17-H-bonding patterns at reverse turn and interstrand regions, respectively. Their hairpin nucleation and folding propensities have been expounded using solution and solid state studies of distinct stereochemically altered sequences.

}, issn = {1477-0520}, doi = {10.1039/c3ob42016g}, author = {Nair, Roshna V. and Kotmale, Amol S. and Dhokale, Snehal A. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000338980500002, title = {Formation of a room temperature stable Fe-V(O) complex: reactivity toward unactivated C-H bonds}, journal = {Journal of American Chemical Society}, volume = {136}, number = {27}, year = {2014}, month = {JUL}, pages = {9524-9527}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An Fe-V(O) complex has been synthesized from equimolar solutions of (Et4N)(2)[Fe-III(Cl)(biuretamide)] and mCPBA in CH3CN at room temperature. The Fe-V(O) complex has been characterized by UV-vis, EPR, Mossbauer, and HRMS and shown to be capable of oxidizing a series of alkanes having C-H bond dissociation energies ranging from 99.3 kcal mol(-1) (cyclohexane) to 84.5 kcal mori (cumene). Linearity in the Bell-Evans-Polayni graph and the finding of a large kinetic isotope effect suggest that hydrogen abstraction is engaged the rate-determining step.

}, issn = {0002-7863}, doi = {10.1021/ja412537m}, author = {Ghosh, Munmun and Singh, Kundan K. and Panda, Chakadola and Weitz, Andrew and Hendrich, Michael P. and Collins, Terrence J. and Dhar, Basab B. and Sen Gupta, Sayam} } @article { ISI:000328650000032, title = {Functional isoDNA aptamers: modified thrombin binding aptamers with a 2{\textquoteright}-5{\textquoteright}-linked sugarphosphate backbone (isoTBA)}, journal = {Chemical Communications}, volume = {50}, number = {5}, year = {2014}, month = {NOV}, pages = {605-607}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The regioisomeric 3{\textquoteright}-deoxy-2{\textquoteright}-5{\textquoteright}-linked thrombin binding DNA aptamers (isoTBAs) were chemically synthesized and their ability to form unimolecular anti-parallel G-quadruplexes in the presence of K+ ions was evaluated. These modified sequences retain the function of the native thrombin binding aptamer (TBA), exhibit better stability against exonuclease and are capable of slowing down the process of blood clotting.

}, issn = {1359-7345}, doi = {10.1039/c3cc47569g}, author = {Gunjal, Anita D. and Fernandes, Moneesha and Erande, Namrata D. and Rajamohanan, P. R. and Kumar, Vaijayanti A.} } @article { ISI:000345734800010, title = {Functionally engineered egg albumen gel for quasi-solid dye sensitized solar cells}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {12}, year = {2014}, month = {DEC}, pages = {2707-2714}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this report, we demonstrated an interesting application of a bioderived material for the dye sensitized solar cells (DSSCs). Egg white, the clear liquid in a hen{\textquoteright}s egg, which possesses a remarkable gelling/cross-linking ability, was applied in the form of a gel electrolyte in a DSSC architecture to enhance its durability. A hybrid gel composed of poly(acrylic acid), polyaniline and egg albumen was synthesized, and the cell efficiency, stability and durability of the corresponding DSSC device were studied in detail. The dye sensitized solar cell with the egg albumen based electrolyte demonstrated a conversion energy efficiency of 4.6\%. Further, a chemically modified egg albumen with ethylenediaminetetraacetic dianhydride showed improved cross-linking, microstructural and conductivity properties of the gel, and yielded a remarkable 5.75\% conversion efficiency. Electrochemical impedance spectroscopy data showed favorable characteristics for charge transport through the modified gel and supported the efficiency observations very well.

}, keywords = {dye sensitized solar cells, Egg albumen, gel electrolyte}, issn = {2168-0485}, doi = {10.1021/sc5004488}, author = {Kelkar, Sarika A. and Pandey, Komal and Agarkar, Shruti A. and Saikhedkar, Nidhi and Tathavadekar, Mukta and Agrawal, Ishita and Gundloori, Rathna V. N. and Ogale, Satishchandra} } @article { ISI:000339493400008, title = {General approach to N-heterocyclic carbenes with a fused tetracyclic core: ligands for suzuki-miyaura cross-coupling reaction}, journal = {European Journal of Organic Chemistry}, number = {21}, year = {2014}, month = {JUL}, pages = {4482-4486}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The synthesis of an N-heterocyclic carbene (NHC) based on a tetracyclic scaffold by using simple, general, and scalable chemistry is disclosed. The developed route is suitable for introducing multiple substitutions on the tetracyclic scaffold. The utility of the present NHC as a ligand in the Suzuki-Miyaura cross-coupling reaction is demonstrated with a low catalyst loading.

}, keywords = {C-C coupling, carbenes, Homogeneous catalysis, N ligands, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.201402378}, author = {Sutar, Revannath L. and Kumar, Vinod and Shingare, Rahul D. and Thorat, Shridhar and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000345192300003, title = {Genesis of enhanced photoactivity of CdS/Ni-x nanocomposites for visible-light-driven splitting of water}, journal = {International Journal of Hydrogen Energy}, volume = {39}, number = {34}, year = {2014}, month = {NOV}, pages = {19424-19433}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of CdS/Ni-x nanocomposite photocatalysts, containing ca. 0.6-15 wt\% Ni, were synthesized using a one-step hydrothermal method and characterized for their crystallographic, morphological, interfacial, and optical properties. Rietveld refinement of powder XRD data revealed the coexistence of wurtzite (hexagonal) and zinc blende (cubic) phases of CdS in ratios dependent on Ni content. Only a fraction of Ni existed as a secondary phase of NiS while the majority occupied the lattice positions of hexagonal CdS. Whereas up to 10-fold enhancement in H-2 evolution compared with pure CdS was observed for samples containing similar to 1.5-4.5 wt\% Ni, samples with smaller or larger Ni content displayed poor activity for visible-light-induced splitting of water in presence of sulfide-sulphite ions as sacrificial electron donors. In contrary to recent findings, our study reveals that the enhanced CdS photoactivity is not a result of charge transfer between p-type NiS and n-type CdS, Ni-induced visible-region absorbance, or the coating of CdS particles by non-photoactive NiS. Instead, the preparation-dependent hexagonal/cubic CdS phase boundaries and particle morphology may play a crucial role. Additionally, certain Ni-doping-induced sub-bandgap shallow energy levels contribute to charge carrier separation. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {CdS/Ni-x nanocomposites, Dominant hexagonal facets, Enhanced photoactivity, Hydrogen evolution, Phase boundary effects, water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2014.09.087}, author = {Devi, Suman and Korake, Prakash V. and Achary, Srungarpu N. and Gupta, Narencira M.} } @article { ISI:000346662700009, title = {Geometry-dependent lifetime of Interatomic coulombic decay using equation-of-motion coupled cluster method}, journal = {Journal of Chemical Physics}, volume = {141}, number = {23}, year = {2014}, month = {DEC}, pages = {Article No. 234108}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

Electronically excited atom or molecule in an environment can relax via transferring its excess energy to the neighboring atoms or molecules. The process is called Interatomic or Intermolecular coulombic decay (ICD). The ICD is a fast decay process in environment. Generally, the ICD mechanism predominates in weakly bound clusters. In this paper, we have applied the complex absorbing potential approach/equation-of-motion coupled cluster (CAP/EOMCCSD) method which is a combination of CAP and EOMCC approach to study the lifetime of ICD at various geometries of the molecules. We have applied this method to calculate the lifetime of ICD in Ne-X; X = Ne, Mg, Ar, systems. We compare our results with other theoretical and experimental results available in literature. (C) 2014 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4903827}, author = {Ghosh, Aryya and Vaval, Nayana} } @article { ISI:000345701500065, title = {Green chemical incorporation of silicon into polyoxoanions of molybdenum: characterization, thermal kinetics study and their photocatalytic water splitting activity}, journal = {RSC Advances}, volume = {4}, number = {108}, year = {2014}, month = {NOV}, pages = {63328-63337}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Cetylpyridinium silicomolybdate (CSM) nanorods were successfully synthesized by applying green chemistry principles using sodium molybdate and a structure directing cationic surfactant, cetyl pyridinium chloride (CPC) at room temperature. The composition and morphology of the nanorods were established by Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TG) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. The thermal decomposition kinetics of CSM nanorods were investigated by a non-isothermal thermogravimetric analyzer at various heating rates. The thermal decomposition of CSM occurred in two stages. The activation energies of the first and second stages of thermal decomposition for all heating rates have been estimated using the iso-conventional methods of Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunose (KAS) and the results are found to be in good agreement with each other. The invariant kinetic parameter (IKP) method and master plot method were also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of CSM. The photocatalytic water oxidation mechanism using the CSM catalyst in the presence of platinum (Pt) co-catalyst enhances the H-2 evolution and was found to be 1.946 mmol g(-1) h(-1).

}, issn = {2046-2069}, doi = {10.1039/c4ra12331j}, author = {D{\textquoteright}Cruz, Bessy and Samuel, Jadu and George, Leena} } @article { ISI:000344998100063, title = {Green chemistry approach to styrene from ethylbenzene and air on MnxTi1-xO2 catalyst}, journal = {RSC Advances}, volume = {4}, number = {100}, year = {2014}, month = {OCT}, pages = {57087-57097}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Styrene (ST) is an industrially important commodity chemical, and design of a suitable catalyst, which provides high ethyl benzene (EB) conversion and styrene selectivity at Lower temperature with sustainable activity, is one of the major challenges in the field of heterogeneous catalysis. Manganese incorporated in titania (MnxT1-xO2) anatase Lattice, prepared via the solution combustion method, was evaluated for oxidative dehydrogenation (ODH) of EB with O-2 or air. MnxTi1-xO2 catalysts were characterized by different physiochemical methods. Up to 15\% Mn could be introduced into the TiO2 Lattice. TEM and XRD indicate disordered mesoporosity, further confirmed by adsorption isotherm analysis. MnxTi1-xO2 catalysts were evaluated for ST synthesis from EB using air or oxygen as oxidant between 440 and 570 degrees C. Reaction conditions have been varied systematically, such as catalyst composition, and EB/air/O-2 flow. MnxTi1-xO2 shows sustainable 55\% styrene yield for 45 h without deactivation under optimum conditions. A thorough analysis of spent catalysts demonstrates the conversion of initial anatase phase MnxTi1-xO2 to Mn3O4 supported on the rutile (R) phase of TiO2. The above change occurs in the first few hours of reaction and the Mn3O4 on R-TiO2 phase is the active phase of the catalyst and responsible for sustainable activity for Longer duration.

}, issn = {2046-2069}, doi = {10.1039/c4ra11814f}, author = {Negi, Sanjay Singh and Venugopalan, Aswathy Thareparambil and Raja, Thirumalaiswamy and Singh, Anand Pal and Gopinath, Chinnakonda S.} } @article { ISI:000343922800043, title = {Green synthesis of novel polyoxoanions of tungsten containing phosphorus as a heteroatom: characterization, non-isothermal decomposition kinetics and photocatalytic activity}, journal = {New Journal of Chemistry}, volume = {38}, number = {11}, year = {2014}, month = {SEP}, pages = {5436-5444}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Synthesis of cetylpyridinium phosphotungstate (CPW) nanospheres was carried out by using sodium tungstate and a structure directing cationic surfactant, cetyl pyridinium chloride (CPC), at room temperature by applying green chemistry principles. The composition and morphology of the nanospheres were established by Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), atomic force microscopy (AFM), thermogravimetric analysis (TGA) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. Thermal properties of the nanoparticles were investigated by nonisothermal analysis under a nitrogen atmosphere at four different heating rates 10, 15, 20 and 25 degrees C min(-1). The thermal decomposition of CPW occurred in two stages. The activation energy values at each stage of thermal decomposition for all heating rates were calculated by Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunnose (KAS) methods. The invariant kinetic parameter (IKP) method and the master plot method were also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of CPW. The photocatalytic water oxidation mechanism using a CPW catalyst in the presence of a platinum (Pt) co-catalyst enhances the H-2 evolution, which was found to be 2.0 mmol g(-1) h(-1).

}, issn = {1144-0546}, doi = {10.1039/c4nj01098a}, author = {D{\textquoteright}Cruz, Bessy and Samuel, Jadu and Sreedhar, Mulloor Kesavapillai and George, Leena} } @article { ISI:000342766500050, title = {High performance all-organic flexural piezo-FET and nanogenerator via nanoscale soft-interface strain modulation}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {41}, year = {2014}, month = {SEP}, pages = {22874-22881}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Flexural strain fields are encountered in a wide variety of situations and invite novel device designs for their effective use in sensing, actuating, as well as energy harvesting (nanogenerator) applications. In this work we demonstrate an interesting all-organic device design comprising an electrospun P(VDF-TrFE) fiber-mat built directly on a conducting PANI film, which is also grown on a flexible PET substrate, for flexural piezo-FET and nanogenerator applications. Orders of magnitude stronger modulation of electrical transport in PANI film is realized in this device as compared to the case of a similar device but with a uniform spin-coated P(VDF-TrFE) film. We find that in the flexural mode of operation, the interaction between the laterally modulated nanoscale strain field distributions created by the fibers and the applied coherent strain field strongly influences the carrier transport in PANI. The transport modulation is suggested to occur due to strain-induced conformational changes in P(VDF-TrFE) leading to changes in carrier localization-delocalization. We further show that the fiber-mat based device system also works as an efficient nanogenerator capable of delivering power for low power applications.

}, issn = {1463-9076}, doi = {10.1039/c4cp02155j}, author = {Dhakras, Dipti and Gawli, Yogesh and Chhatre, Shraddha and Wadgaonkar, Prakash and Ogale, Satishchandra} } @article { ISI:000340469800024, title = {Highly efficient chiral resolution of DL-arginine by cocrystal formation followed by recrystallization under preferential-enrichment conditions}, journal = {Chemistry-A European Journal}, volume = {20}, number = {33}, year = {2014}, month = {AUG}, pages = {10343-10350}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

An excellent chiral symmetry-breaking spontaneous enantiomeric resolution phenomenon, denoted preferential enrichment, was observed on recrystallization of the 1:1 cocrystal of dl-arginine and fumaric acid, which is classified as a racemic compound crystal with a high eutectic ee value (\>95\%), under non-equilibrium crystallization conditions. On the basis of temperature-controlled video microscopy and in situ time-resolved solid-state (CNMR)-C-13 spectroscopic studies on the crystallization process, a new mechanism of phase transition that can induce preferential enrichment is proposed.

}, keywords = {Amino acids, chiral resolution, cocrystals, Crystal growth, phase transitions}, issn = {0947-6539}, doi = {10.1002/chem.201402446}, author = {Iwama, Sekai and Kuyama, Kazunori and Mori, Yuko and Manoj, Kochunnoonny and Gonnade, Rajesh G. and Suzuki, Katsuaki and Hughes, Colan E. and Williams, P. Andrew and Harris, Kenneth D. M. and Veesler, Stephane and Takahashi, Hiroki and Tsue, Hirohito and Tamura, Rui} } @article { ISI:000330241000045, title = {Highly efficient one-pot multi-component synthesis of alpha-aminophosphonates and bis-alpha-aminophosphonates catalyzed by heterogeneous reusable silica supported dodecatungstophosphoric acid (DTP/SiO2) at ambient temperature and their antitubercular eval}, journal = {RSC Advances}, volume = {4}, number = {15}, year = {2014}, month = {JAN}, pages = {7666-7672}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A highly efficient one-pot multi-component reaction (MCR) protocol over DTP/SiO2 has been developed for the synthesis of alpha-aminophosphonate derivatives (4a-x) in excellent yields. The alpha-aminophosphonate derivatives were for the first time evaluated for their antitubercular activity against the M. tuberculosis H37Ra (MTB) strain. An evaluation of the data on the cytotoxicity and antimicrobial activity shows that 4n and 4v are promising antitubercular agents.

}, issn = {2046-2069}, doi = {10.1039/c3ra45853a}, author = {Mulla, Shafeek Abdul Rashid and Pathan, Mohsinkhan Y. and Chavan, Santosh S. and Gample, Suvarna P. and Sarkar, Dhiman} } @article { ISI:000339128700053, title = {Highly regioselective C4-hydrazinylation of 2,4-dichloroquinolines: expedient synthesis of aminoquinoline substituted pyrrolidin-2,5-diones via hydrazinylquinolines}, journal = {Tetrahedron Letters}, volume = {55}, number = {30}, year = {2014}, month = {JUL}, pages = {4240-4244}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new class of hydrazinylquinoline regio-isomers has been synthesized through SNAr reaction of 2,4-dichloroquinolines with hydrazine hydrate. The reaction stops at the mono-substitution product with high regioselectivity at the C-4 rather than C-2 position of dichloroquinolines. The hydrazinylquinolines were subsequently converted into aminoquinoline substituted pyrrolidin-2,5-diones in the presence of Eaton{\textquoteright}s reagent. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {5-diones, Eaton{\textquoteright}s reagent, Hydrazinylquinolines, Pyrrolidin-2, Regioisomers, SNAr reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.05.132}, author = {Kumar, Gopal Senthil and Zeller, Matthias and Gonnade, Rajesh Ghanshyam and Prasad, Kamam Jayarampillai Rajendra} } @article { ISI:000341226000019, title = {Homogeneous photochemical water oxidation by biuret-modified Fe-TAML: evidence of Fe-V(O) intermediate}, journal = {Journal of the American Chemical Society}, volume = {136}, number = {35}, year = {2014}, month = {SEP}, pages = {12273-12282}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{Water splitting, leading to hydrogen and oxygen in a process that mimics natural photosynthesis, is extremely important for devising a sustainable solar energy conversion system. Development of earth-abundant, transition metal-based catalysts that mimic the oxygen-evolving complex of photosystem II, which is involved in oxidation of water to O-2 during natural photosynthesis, represents a major challenge. Further, understanding the exact mechanism, including elucidation of the role of active metal-oxo intermediates during water oxidation (WO), is critical to the development of more efficient catalysts. Herein, we report Fe-III complexes of biuret-modified tetra-amidomacrocyclic ligands (Fe-TAML; 1a and 1b) that catalyze fast, homogeneous, photochemical WO to give OD with moderate efficiency (maximum TON = 220

}, issn = {0002-7863}, doi = {10.1021/ja503753k}, author = {Panda, Chakadola and Debgupta, Joyashish and Diaz, David Diaz and Singh, Kundan K. and Gupta, Sayam Sen and Dhar, Basab B.} } @article { ISI:000332835300494, title = {Homogeneous water oxidation using peroxidase mimic [Fe-III(biuret-amide)] and analyte detection via signal amplification}, journal = {Journal of Biological Inorganic Chemistry}, volume = {19}, number = {1}, year = {2014}, note = {16th International Conference on Biological Inorganic Chemistry (ICBIC), Grenoble, FRANCE, JUL 22-26, 2013}, month = {MAR}, pages = {S557}, publisher = {Int Organizing Comm; Natl Organizing Comm; SBIC; Veolia Environm; Arcane; Grenoble Innovat Adv New Technologies; LOREAL; Soc Chimique France; CEA, Life Sci Div; SHIMADZU; High Tech Mat; CEA, Div Matter Sci; IFP Energies Nouvelles; Univ Joseph Fourier; Spr}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {0949-8257}, author = {Panda, C. and Dhar, B. B. and Ghosh, Munmun and Malvi, Bharmana and Bhattacharjee, Yudhajit and Sengupta, S.} } @article {42484, title = {Hydrogen bonding interaction between active methylene hydrogen atoms and an anion as a binding motif for anion recognition: experimental studies and theoretical rationalization}, journal = {Journal of Physical Chemistry A}, volume = {118}, year = {2014}, month = {MAR}, pages = {2656{\textendash}2666}, abstract = {

Two new reagents, having similar spatial arrangements for hydrogen atoms of the active methylene functionalities, were synthesized and interactions of such reagents with different anionic analytes were studied using electronic spectroscopy as well as by using 1H and 31P NMR spectroscopic methods. Experimental studies revealed that these two reagents showed preference for binding to F{\textendash} and OAc{\textendash}. Detailed theoretical studies along with the above-mentioned spectroscopic studies were carried out to understand the contribution of the positively charged phosphonium ion, along with methylene functionality, in achieving the observed preference of these two receptors for binding to F{\textendash} and OAc{\textendash}. Observed differences in the binding affinities of these two reagents toward fluoride and acetate ions also reflected the role of acidity of such methylene hydrogen atoms in controlling the efficiencies of the hydrogen bonding in anion{\textendash}Hmethylene interactions. Hydrogen bonding interactions at lower concentrations of these two anionic analytes and deprotonation equilibrium at higher concentration were observed with associated electronic spectral changes as well as visually detectable change in solution color, an observation that is generally common for other strong hydrogen bond donor functionalities like urea and thiourea. DFT calculations performed with the M06/6-31+G**//M05-2X/6-31G* level of theory showed that F{\textendash} binds more strongly than OAc{\textendash} with the reagent molecules. The deprotonation of methylene hydrogen atom of receptors with F{\textendash} ion was observed computationally. The metal complex as reagent showed even stronger binding energies with these analytes, which corroborated the experimental results.

}, doi = {10.1021/jp501769y}, author = {Agarwalla, Hridesh and Jana, Kalyanashis and Maity, Arunava and Kesharwani, Manoj K. and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000344440500015, title = {Identification and expression profiling of helicoverpa armigera microRNAs and their possible role in the regulation of digestive protease genes}, journal = {Insect Biochemistry and Molecular Biology}, volume = {54}, year = {2014}, month = {NOV}, pages = {129-137}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The present investigation is an effort to determine the possible roles of microRNAs (miRNAs) in the regulation of protease gene expression in Helicoverpa armigera upon exposure to plant protease inhibitors (PIs). Using Illumina platform, deep sequencing of 12 small RNA libraries was performed from H. armigera larvae fed on artificial diet (AD) or recombinant Capsicum annuum PI-7 (rCanPI-7) incorporated diet, at various time intervals (0.5, 2, 6, 12, 24, and 48 h). Sequencing data were analyzed with miRDeep2 software; a total of 186 unique miRNAs were identified from all the 12 libraries, out of which 96 were conserved while 90 were novel. These miRNAs showed all the conserved characteristics of insect miRNAs. Homology analysis revealed that most of the identified miRNAs were insect-specific, and more than 50 miRNAs were Lepidoptera-specific. Several candidate miRNAs (conserved and novel) were differentially expressed in rCanPI-7 fed larvae as compared to the larvae fed on AD. H. armigera miRNAs were found to have target sites in several protease genes as well as in protease regulation related genes such as serine PI and immune reactive PI. As expected, negative correlation in the relative abundance miRNAs and their target mRNAs was evident from qualitative real time polymerase chain reaction analysis. The investigation revealed potential roles of miRNAs in H. armigera protease gene regulation. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Deep sequencing, Helicoverpa armigera, miRNAs, Protease gene regulation, Protease inhibitors}, issn = {0965-1748}, doi = {10.1016/j.ibmb.2014.09.008}, author = {Lomate, Purushottam R. and Mahajan, Neha S. and Kale, Sandip M. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000330999600057, title = {IFN-gamma signaling maintains skin pigmentation homeostasis through regulation of melanosome maturation}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {111}, number = {6}, year = {2014}, month = {FEB}, pages = {2301-2306}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

Cellular homeostasis is an outcome of complex interacting processes with nonlinear feedbacks that can span distinct spatial and temporal dimensions. Skin tanning is one such dynamic response that maintains genome integrity of epidermal cells. Although pathways underlying hyperpigmentation cascade are recognized, negative feedback regulatory loops that can dampen the activated melanogenesis process are not completely understood. In this study, we delineate a regulatory role of IFN-gamma in skin pigmentation biology. We show that IFN-gamma signaling impedes maturation of the key organelle melanosome by concerted regulation of several pigmentation genes. Withdrawal of IFN-gamma signal spontaneously restores normal cellular programming. This effect in melanocytes is mediated by IFN regulatory factor-1 and is not dependent on the central regulator microphthalmia-associated transcription factor. Chronic IFN-gamma signaling shows a clear hypopigmentation phenotype in both mouse and human skin. Interestingly, IFN-gamma KO mice display a delayed recovery response to restore basal state of epidermal pigmentation after UV-induced tanning. Together, our studies delineate a new spatiotemporal role of the IFN-gamma signaling network in skin pigmentation homeostasis, which could have implications in various cutaneous depigmentary and malignant disorders.

}, keywords = {detanning, gene regulation, interferon, melanin}, issn = {0027-8424}, doi = {10.1073/pnas.1304988111}, author = {Natarajan, Vivek T. and Ganju, Parul and Singh, Archana and Vijayan, Vinaya and Kirty, Kritika and Yadav, Shalini and Puntambekar, Shraddha and Bajaj, Sonali and Dani, Prachi P. and Kar, Hemanta K. and Gadgil, Chetan J. and Natarajan, Krishnamurthy and Rani, Rajni and Gokhale, Rajesh S.} } @article { ISI:000331953400004, title = {Immune response to chemically modified proteome}, journal = {Proteomics Clinical Applications}, volume = {8}, number = {1-2, SI}, year = {2014}, month = {FEB}, pages = {19-34}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Both enzymatic and nonenzymatic PTMs of proteins involve chemical modifications. Some of these modifications are prerequisite for the normal functioning of cell, while other chemical modifications render the proteins as neo-self antigens, which are recognized as non-self leading to aberrant cellular and humoral immune responses. However, these modifications could be a secondary effect of autoimmune diseases, as in the case of type I diabetes, hyperglycemia leads to protein glycation. The enigma of chemical modifications and immune response is akin to the chick-and-egg paradox. Nevertheless, chemical modifications regulate immune response. In some of the well-known autoimmune diseases such as rheumatoid arthritis, systemic lupus erythematosus, and multiple sclerosis, chemically modified proteins act as autoantigens forming immune complexes. In some instances, chemical modifications are also involved in regulating immune response during pathogen infection. Further, the usefulness of proteomic analysis of immune complexes is briefly discussed.

}, keywords = {Autoantibody, Autoimmune diseases, Immune complex, Immunoproteomics, PTMs}, issn = {1862-8346}, doi = {10.1002/prca.201300068}, author = {Bhat, Shweta and Mary, Sheon and Banarjee, Reema and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article { ISI:000333057300005, title = {In situ pH management for microbial culture in shake flasks and its application to increase plasmid yield}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {41}, number = {4}, year = {2014}, month = {APR}, pages = {647-655}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Shake flasks are widely used to culture microorganisms, but they do not allow for pH control without additional infrastructure. In the presence of a carbon source like glucose, culture pH typically decreases due to overflow metabolism and can limit the growth of microorganisms in shake flasks. In this study, we demonstrate the use of magnesium hydroxide-loaded pH managing hydrogels (m-pHmH) for in situ base release to counter the decrease in culture pH in shake flasks using Escherichia coli as a model organism, in both complex and mineral salts medium. Base release from m-pHmH is shown to increase with decreasing pH (22-fold increase in release rate from pH 8 to 5), thus providing feedback from culture pH. The addition of m-pHmH resulted in better pH maintenance and higher biomass yields of E. coli K12 in media containing glucose as a carbon source. The use of m-pHmH with additional buffer resulted in pH being maintained above 6.9 while pH decreases below 5 without m-pHmH. We demonstrate one application of such in situ pH management to increase the volumetric plasmid yield from E. coli in shake flask culture. In situ glucose release through a hydrogel to mimic fed-batch culture along with the addition of m-pHmH resulted in a 395 \% increase in volumetric plasmid yield to 38 mu g/ml in shake flask culture.

}, keywords = {In situ pH control, Magnesium hydroxide, pH-responsive base release, Shake flask culture}, issn = {1367-5435}, doi = {10.1007/s10295-014-1405-8}, author = {Sanil, Reenu and Maralingannavar, Vishwanathgouda and Gadgil, Mugdha} } @article { ISI:000340353100013, title = {In1-XGaXN@ZnO: a rationally designed and quantum dot integrated material for water splitting and solar harvesting applications}, journal = {Dalton Transactions}, volume = {43}, number = {33}, year = {2014}, month = {SEP}, pages = {12546-12554}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The highly desirable combination of the visible light absorption properties of In1-xGaxN Quantum dots (QD) along with the multifunctionality of ZnO into a single integrated material was prepared for solar harvesting. This is the first report on InGaN QD integrated with ZnO (InGaN@ZnO), synthesized by a highly reproducible, simple combustion method in 15 min. Structural, microstructural and electronic integration of the nitride and oxide components of InGaN@ZnO was demonstrated by appropriate characterization methods. Self-assembly of InGaN QD is induced in growing nascent zinc oxo nanoclusters taking advantage of the common wurtzite structure and nitrogen incorporation at the expense of oxygen vacancies. Direct integration brings about a single phase structure exhibiting extensive visible tight absorption and high photostability. InGaN@ZnO suggests synergistic operation of tight harvesting and charge conducting components for solar H-2 generation without using any co-catalyst or sacrificial agent, and a promising photocurrent generation at 0 V under visible light illumination. The present study suggests a direct integration of QD with the host matrix and is a potential method to realize the advantages of QDs.

}, issn = {1477-9226}, doi = {10.1039/c4dt01268b}, author = {Rajaambal, Sivaraman and Mapa, Maitri and Gopinath, Chinnakonda S.} } @article { ISI:000338605600002, title = {Influence of starting precursors and synthesis methods on the physiochemical properties of zirconia}, journal = {Materials Research Bulletin}, volume = {55}, year = {2014}, month = {JUL}, pages = {8-12}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Under identical and judiciously pre-optimized synthesis conditions, the influence of different combinations of zirconium sources and/or post treatment conditions on structural properties, thermal stability, phase composition and morphology of zirconia has been investigated. High surface area tetragonal zirconia could be synthesized in a cost-effective manner from 1 M solution of zirconium oxynitrate at pH 11 using aqueous ammonia solution as a precipitant when calcined at 400 degrees C for 3 h. Irrespective of the preparation method, pH and starting precursor, zirconia samples prepared without digestion contained dominant monoclinic phase with some traces of tetragonal phase when calcined at 700 degrees C. Even though there is linear decrease in surface area with increase in the crystallite size for each sample as a function of calcination temperature, no co-relation between the surface area and crystallite size could be achieved. SEM images show agglomerated and irregular shape particles between 10 to 20 mu m. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Oxides, Sol-gel chemistry, Thermogravimetric analysis (TGA)}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2014.03.010}, author = {Gaydhankar, T. R. and Jha, Ratnesh Kumar and Nikalje, M. D. and Waghmare, K. J.} } @article { ISI:000339995100067, title = {Insecticidal potential of defense metabolites from ocimum kilimandscharicum against helicoverpa armigera}, journal = {Plos One}, volume = {9}, number = {8}, year = {2014}, month = {AUG}, pages = {e104377}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Genus Ocimum contains a reservoir of diverse secondary metabolites, which are known for their defense and medicinal value. However, the defense-related metabolites from this genus have not been studied in depth. To gain deeper insight into inducible defense metabolites, we examined the overall biochemical and metabolic changes in Ocimum kilimandscharicum that occurred in response to the feeding of Helicoverpa armigera larvae. Metabolic analysis revealed that the primary and secondary metabolism of local and systemic tissues in O. kilimandscharicum was severely affected following larval infestation. Moreover, levels of specific secondary metabolites like camphor, limonene and beta-caryophyllene (known to be involved in defense) significantly increased in leaves upon insect attack. Choice assays conducted by exposing H. armigera larvae on O. kilimandscharicum and tomato leaves, demonstrated that O. kilimandscharicum significantly deters larval feeding. Further, when larvae were fed on O. kilimandscharicum leaves, average body weight decreased and mortality the larvae increased. Larvae fed on artificial diet supplemented with O. kilimandscharicum leaf extract, camphor, limonene and beta-caryophyllene showed growth retardation, increased mortality rates and pupal deformities. Digestive enzymes of H. armigera - namely, amylase, protease and lipase- showed variable patterns after feeding on O. kilimandscharicum, which implies striving of the larvae to attain required nutrition for growth, development and metamorphosis. Evidently, selected metabolites from O. kilimandscharicum possess significant insecticidal activity.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0104377}, author = {Singh, Priyanka and Jayaramaiah, Ramesha H. and Sarate, Priya and Thulasiram, Hirekodathakallu V. and Kulkarni, Mahesh J. and Giri, Ashok P.} } @article { ISI:000341543000009, title = {Intermediate hamiltonian fock space multireference coupled cluster approach to core excitation spectra}, journal = {Journal of Chemical Theory and Computation}, volume = {10}, number = {9}, year = {2014}, month = {SEP}, pages = {3656-3668}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The Fock space multireference coupled cluster (FSMRCC) method provides an efficient approach for the direct calculation of excitation energies. In intermediate Hamiltonian (IH-FSMRCC) formulation, the method is free from intruder state problems and associated convergence difficulties, even with a large model space. In this paper, we demonstrate that the IH-FSMRCC method with suitably chosen model space can be used for the accurate description of core excitation spectra of molecules, and our results are in excellent agreement with the experimental values. We have investigated the effect of choice of model space on the computed results. Unlike the equation-of-motion (EOM)-based method, the IH-FSMRCC does not require any special technique for convergence and in singles and doubles approximation gives a performance comparable to that of the standard EOMEE-CCSD method, even better in some of the cases.

}, issn = {1549-9618}, doi = {10.1021/ct500285e}, author = {Dutta, Achintya Kumar and Gupta, Jitendra and Vaval, Nayana and Pal, Sourav} } @article { ISI:000336942100020, title = {Investigation of C-C bond formation mediated by bombyx mori silk fibroin materials}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {6}, year = {2014}, month = {JUN}, pages = {1510-1517}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The formation of C-C bonds is a prerequisite for all life on earth. Understanding the role of proteins in mediating the formation of these bonds is important for understanding biological mechanisms in evolution, as well as for designing {\textquoteleft}{\textquoteleft}green catalysts{\textquoteright}{\textquoteright}. In this work, the ability of silk fibroin (SF) proteins to mediate selective C-C bond formation under mild conditions was comprehensively evaluated and compared between different SF-based materials and other proteins. Aqueous SF solution (ASFS), freeze-dried SF (FDSF), mesoporous SF (MPSF), and SF hydrogel (SFHG) materials were prepared and characterized by a variety of techniques including, among others, FE-SEM, ICP-OES, FT-IR, and TGA. The nitroaldol (Henry) reaction, Knoevenagel condensation, and direct aldol reaction were used as models for this study, in which the recovery and reusability of the protein was also evaluated.

}, keywords = {Aldol-like reactions, C-C Bond formation, Knoevenagel condensation, Proteins, Silk fibroin}, issn = {2168-0485}, doi = {10.1021/sc500184r}, author = {Kuehbeck, Dennis and Ghosh, Munmun and Sen Gupta, Sayam and Diaz, David Diaz} } @article { ISI:000339367500022, title = {Ionization-induced tautomerization in cytosine and effect of solvation}, journal = {Journal of Physical Chemistry A}, volume = {118}, number = {28}, year = {2014}, month = {JUL}, pages = {5323-5332}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The recent observation of excitation-induced tautomerization in gas-phase cytosine motivated us to investigate the possibility of facile tautomerization in ionized cytosine and the effect of solvation on the tautomerization barriers. The tautomerization mechanisms were characterized at the density functional theory (DFT)omega B97X-D and coupled-cluster singles and doubles (CCSD) levels of theory. Vertical and adiabatic ionization energies (VIEs and AIEs, respectively) of the tautomers of cytosine and the microsolvated species were calculated with the equation-of-motion ionization-potential coupled-cluster (EOM-IP-CCSD) method. We observed that, in microsolvated cytosine, the solvatochromic shifts of the VIEs can be both blue- and red-shifted depending on the tautomers. This is explained by the analysis of the charge dipole interactions between the cytosine and water molecules. We noticed that, upon ionization, gas-phase tautomerization barriers are reduced by 0-4 kcal/mol, whereas microsolvated (with one water) tautomerization barriers are reduced by 4-5 kcal/mol. We also investigated the tautomerization process in solvation using a continuum model with one active water molecule in the quantum mechanical region. We noticed that, even though bulk solvation has a significant effect on ionization energies, its effect on the ionization-induced tautomerization barrier is minimal.

}, issn = {1089-5639}, doi = {10.1021/jp503947d}, author = {Das, Tamal and Ghosh, Debashree} } @article { ISI:000337521700013, title = {Large magnetocaloric effect, moment, and coercivity enhancement after coating Ni nanoparticles with Ag}, journal = {ChemPhysChem}, volume = {15}, number = {8}, year = {2014}, month = {JUN}, pages = {1619-1623}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We observe a large magnetocaloric effect in monodisperse Ni and NicoreAgshell nanoparticles in the superparamagnetic region. The organically passivated Ni nanospheres show a large magnetic entropy change of 0.9 J kg(-1)K for a 3 T magnetic field change. In comparison to the surfactant-coated Ni nanoparticles, the NicoreAgshell nanoparticles show an enhanced coercivity, magnetization, and magnetocaloric effect (1.3 kgK for a 3 T magnetic field change). The coercivity at 10 K increases from 360 Oe for Ni nanoparticles to nearly 610 Oe for NicoreAgshell particles. This large enhancement is attributed to the enhanced inter-particle interaction, which is mediated by the metallic shell, over the relatively weaker dipolar interaction in the surfactant-coated Ni nanoparticles, and to modification of the surface spin structure.

}, keywords = {anisotropy, core-shell, magnetic properties, Nanoparticles, superparamagnetic}, issn = {1439-4235}, doi = {10.1002/cphc.201300886}, author = {Srinath, Sanyadanam and Poddar, Pankaj and Das, Raja and Sidhaye, Deepti and Bhagavatula L. V. Prasad and Gass, James and Srikanth, Hariharan} } @article {46404, title = {Large scale synthesis of graphene quantum dots (GQDs) from waste biomass and their use as an efficient and selective photoluminescence on-off-on probe for Ag+ ions}, journal = {Nanoscale}, volume = {6}, year = {2014}, month = {MAR}, pages = {11664-11670}, type = {Article}, abstract = {

Graphene quantum dots (GQDs) are synthesized from bio-waste and are further modified to produce amine-terminated GQDs (Am-GQDs) which have higher dispersibility and photoluminescence intensity than those of GQDs. A strong fluorescence quenching of Am-GQDs (switch-off) is observed for a number of metal ions, but only for the Ag+ ions is the original fluorescence regenerated (switch-on) upon addition of L-cysteine.

}, issn = {2040-3364}, doi = {10.1039/c4nr02494j}, author = {Suryawanshi, Anil and Biswal, Mandakini and Mhamane, Dattakumar and Gokhale, Rohan and Patil, Shankar and Guin, Debanjan and Ogale, Satishchandra} } @article { ISI:000343988200032, title = {Layer-separated distribution of nitrogen doped graphene by wrapping on carbon nitride tetrapods for enhanced oxygen reduction reactions in acidic medium}, journal = {Chemical Communications}, volume = {50}, number = {89}, year = {2014}, month = {SEP}, pages = {13769-13772}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Layer-separated 3D nitrogen doped graphene (NG) with an accessible interstitial surface and modulated activity characteristics for oxygen reduction in acidic medium could be prepared by wrapping NG sheets on in situ generated carbon nitride (CNx) tetrapods.

}, issn = {1359-7345}, doi = {10.1039/c4cc06180b}, author = {Unni, SreeKuttan M. and Illathvalappil, Rajith and Gangadharan, Pranav K. and Bhange, Siddheshwar N. and Kurungot, Sreekumar} } @article { ISI:000330603800038, title = {Leucaena sp recombinant cinnamyl alcohol dehydrogenase: purification and physicochemical characterization}, journal = {International Journal of Biological Macromolecules}, volume = {63}, year = {2014}, month = {FEB}, pages = {254-260}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Cinnamyl alcohol dehydrogenase is a broad substrate specificity enzyme catalyzing the final step in monolignol biosynthesis, leading to lignin formation in plants. Here, we report characterization of a recombinant CAD homologue (LICAD2) isolated from Leucaena leucocephala. LICAD2 is 80 kDa homodimer associated with non-covalent interactions, having substrate preference toward sinapaldehyde with K-cat/K-m of 11.6 x 10(6) (M-1 s(-1)), and a possible involvement of histidine at the active site. The enzyme remains stable up to 40 C, with the deactivation rate constant (K-d*) and half-life (t(1/2)) of 0.002 and 5 h, respectively. LICAD2 showed optimal activity at pH 6.5 and 9 for reduction and oxidation reactions, respectively, and was stable between pH 7 and 9, with the deactivation rate constant (K-d*) and half-life (t(1/2)) of 7.5 x 10(-4) and 15 h, respectively. It is a Zn-metalloenzyme with 4 Zn2+ per dimer, however, was inhibited in presence of externally supplemented Zn2+ ions. The enzyme was resistant to osmolytes, reducing agents and non-ionic detergents. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Cinnamyl alcohol dehydrogenase (CAD), Metalloenzyme, Substrate specificity}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.09.005}, author = {Patel, Parth and Gupta, Neha and Gaikwad, Sushama M. and Agrawal, Dinesh C. and Khan, Bashir Mohammad} } @article { ISI:000330799900051, title = {Lignocellulose processing: a current challenge}, journal = {RSC Advances}, volume = {4}, number = {16}, year = {2014}, month = {JAN}, pages = {8271-8277}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Lignocellulosic biomass, of which inedible crops are a renewable source, is expected to become one of the key renewable energy resources in the near future, to deal with global warming and the depletion of conventional fossil fuel resources. It also holds the key to supplying society{\textquoteright}s basic needs for the sustainable production of chemicals and fuels without impacting the human food supply. Despite this, the production of 2nd generation biofuels and chemicals has not yet been commercialized. Therefore, the challenges involved in the production of lignocellulosic biomass derived fuels and chemicals must be addressed. The search for economic pretreatment methods has been recognized as one of the main hurdles for the processing of biomass to biofuels and chemicals. The conversion of all biomass components, lignin in particular, would greatly contribute to the economic viability of biomass based processes for 2nd generation biofuels and chemicals. The highly organized crystalline structure of cellulose presents an obstacle to its hydrolysis. Hydrolysis of lignocellulose carbohydrates into fermentable sugars requires a number of different biomass degrading enzymes such as cellulases and hemicellulases. Still, a number of technical and scientific issues within pretreatment and hydrolysis remain to be solved. Depending on the raw material and pretreatment technology, the enzyme mixtures must be designed to degrade biomass carbohydrates. Rapid advances in enzyme, microbial and plant engineering would provide the necessary breakthroughs for the successful commercialization of biomass derived fuels and chemicals.

}, issn = {2046-2069}, doi = {10.1039/c3ra46112b}, author = {Singhvi, Mamata S. and Chaudhari, Shivani and Gokhale, Digambar V.} } @article { ISI:000339830200050, title = {Mapping of copper oxidation state using high pressure x-ray photoelectron spectroscopy}, journal = {Acta Physica Polonica A}, volume = {125}, number = {4}, year = {2014}, month = {APR}, pages = {1065-1066}, publisher = {POLISH ACAD SCIENCES INST PHYSICS}, address = {AL LOTNIKOW 32-46, PL-02-668 WARSAW, POLAND}, abstract = {

The interaction of O-2 with polycrystalline foil of Cu, from ultra high vacuum to 1 mbar and up to 773 K has been investigated. The study were performed by using the high pressure X-ray photoelectron spectroscopy (electron spectroscopy for chemical analysis) ultraviolet photoelectron spectroscopy system. In this work the results of mapping copper oxidation states as a function of temperature at 1 mbar O-2 have been presented.

}, issn = {0587-4246}, author = {Kowalska, J. and Gopinath, Chinnakonda S.} } @article { ISI:000337763200018, title = {Matrix-assisted laser desorption/ionization mass spectrometry analysis of dimethyl arginine isomers from urine}, journal = {Analytical Methods}, volume = {6}, number = {13}, year = {2014}, month = {APR}, pages = {4602-4609}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Isomeric asymmetric and symmetric dimethyl arginine (ADMA and SDMA respectively) residues are excreted in urine and are putative markers of cardiovascular and chronic kidney diseases. In this work, we demonstrate simultaneous and quantitative detection of endogeneous ADMA and SDMA from urine samples of healthy subjects using MALDI-TOF MS without any chromatographic separation. The DMA isomers yielded [M + H](+) ions along with their product ions formed due to MALDI in-source fragmentation. The precursor ions were validated using MALDI-TOF MS/MS as well as direct injection ESI-Q-TOF MS/MS. ADMA and SDMA generated unique product ions at similar to m/z 46 and similar to m/z 172 respectively in the MS-mode itself. These were advantageously used for full scan-mode absolute quantification of the isomeric metabolites. The m/z observed for all the ions was within 10 ppm mass accuracy. The calibration method was established by generating internal standard normalized peak area-based concentration response curves using synthetic standards. Good linearities (R-2 \> 0.95) with acceptable intra-assay, inter-assay variation (within 15\% RSD) and excellent recoveries were observed for quality control samples. Finally, endogeneous concentrations of the metabolites were determined in urine from healthy subjects (n = 11). ADMA and SDMA were found to be in the range of 1.6-8 mu M and 2.9-9.1 mu M in urine and were in agreement with previously reported physiological levels.

}, issn = {1759-9660}, doi = {10.1039/c4ay00309h}, author = {Bhattacharya, Nivedita and Singh, Ajeet and Ghanate, Avinash and Phadke, Gayatri and Parmar, Dharmesh and Dhaware, Deepika G. and Basak, Trayambak and Sengupta, Shantanu and Panchagnula, Venkateswarlu} } @article { ISI:000340469800044, title = {Mechanical downsizing of a gadolinium(iii)-based metal-organic framework for anticancer drug delivery}, journal = {Chemistry-A European Journal}, volume = {20}, number = {33}, year = {2014}, month = {AUG}, pages = {10514-10518}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A Gd-III-based porous metal-organic framework (MOF), Gd-pDBI, has been synthesized using fluorescent linker pDBI (pDBI=(1,4-bis(5-carboxy-1H-benzimidazole-2-yl)benzene)), resulting in a three-dimensional interpenetrated structure with a one-dimensional open channel (1.9x1.2nm) filled with hydrogen-bonded water assemblies. Gd-pDBI exhibits high thermal stability, porosity, excellent water stability, along with organic-solvent and mild acid and base stability with retention of crystallinity. Gd-pDBI was transformed to the nanoscale regime (ca. 140nm) by mechanical grinding to yield MG-Gd-pDBI with excellent water dispersibility (\>90min), maintaining its porosity and crystallinity. In vitro and in vivo studies on MG-Gd-pDBI revealed its low blood toxicity and highest drug loading (12wt\%) of anticancer drug doxorubicin in MOFs reported to date with pH-responsive cancer-cell-specific drug release.

}, keywords = {ball-milling, doxorubicin, drug delivery, metal-organic frameworks, nanocarriers}, issn = {0947-6539}, doi = {10.1002/chem.201402244}, author = {Kundu, Tanay and Mitra, Shouvik and Patra, Prasun and Goswami, Arunava and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000347596700001, title = {Molecular recognition pattern of cytotoxic alkaloid vinblastine with multiple targets}, journal = {Journal of Molecular Graphics \& Modelling}, volume = {54}, year = {2014}, month = {NOV}, pages = {1-9}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Vinblastine (VLB), a cytotoxic alkaloid is used extensively against various cancer types and the crystal structure of its tubulin complex is already known. Multitarget affinity of vinblastine has been investigated and the nature of binding with biological receptors namely, duplex DNA and Human serum albumin (HSA) has been compared to the binding characteristics of its known complex with natural high affinity receptor tubulin using molecular docking and QM-MM calculations. VLB is found to interact with DNA as well as HSA protein, though, with weaker affinity as compared to tubulin. Analysis of various docked complexes revealed that the H-bonds and cation-pi bonds do not have significant contribution to the binding interactions and despite its large size, VLB remains in relaxed conformation and fits in the hydrophobic regions on the receptors. (C) 2014 Elsevier Inc. All rights reserved.

}, keywords = {Drug-DNA interactions, Drug-protein binding, Human serum albumin, Molecular docking, Multitarget affinity, QM-MM calculation, Vinblastine}, issn = {1093-3263}, doi = {10.1016/j.jmgm.2014.09.001}, author = {Pandya, Prateek and Agarwal, Lokesh Kr and Gupta, Neelima and Pal, Sourav} } @article { ISI:000341359000029, title = {Multicomponent reactions involving phosphines, arynes and aldehydes}, journal = {Chemical Communications}, volume = {50}, number = {77}, year = {2014}, month = {AUG}, pages = {11389-11392}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Although nucleophilic phosphine-catalysis is a powerful tool for the construction of various carbocycles and heterocycles, the reactions in which phosphines are incorporated into the final product are rare, and the reports on phosphine addition to highly electrophilic arynes are scarce. Herein, we report the phosphine triggered multicomponent reaction of arynes and aldehydes, which takes place via the formal [3+2] cycloaddition of an initially generated 1,3-phosphonium zwitterion from phosphines and arynes with aldehydes. The reaction resulted in the formation of a diverse range of stable pentacovalent phosphoranes in good yields based on the benzooxaphosphole system.

}, issn = {1359-7345}, doi = {10.1039/c4cc05420b}, author = {Bhunia, Anup and Kaicharla, Trinadh and Porwal, Digvijay and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000344880800003, title = {Myo-Inositol 1,3-acetals as early intermediates during the synthesis of cyclitol derivatives}, journal = {Carbohydrate Research}, volume = {399}, year = {2014}, month = {NOV}, pages = {8-14}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Synthetic sequences starting from commercially available myo-inositol necessarily involve protection-deprotection strategies of its six hydroxyl groups. Several strategies have been developed/attempted over the last several decades leading to the synthesis of naturally occurring phosphoinositols, their analogs, and cyclitol derivatives. Of late, myo-inositol 1,3-acetals, which can be obtained by the reductive cleavage of myo-inositol orthoesters have emerged as early intermediates for the synthesis of phosphorylated and other inositol derivatives. This mini-review is an attempt to illustrate the economy and convenience of using myo-inositol 1,3-acetals as early intermediates during syntheses from myo-inositol. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Acetal, Cyclitol, Inositol, Protecting group, Signal transduction}, issn = {0008-6215}, doi = {10.1016/j.carres.2014.08.010}, author = {Gurale, Bharat P. and Sardessai, Richa S. and Shashidhar, Mysore S.} } @article { ISI:000332061300050, title = {Nanocomposite of silver and thermo-associating polymer by a green route: a potential soft-hard material for controlled drug release}, journal = {RSC Advances}, volume = {4}, number = {20}, year = {2014}, month = {JAN}, pages = {10261-10268}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c3ra45022h}, author = {Gupta, Nivika R. and Bhagavatula L. V. Prasad and Gopinath, Chinnakonda S. and Badiger, Manohar V.} } @article { ISI:000343819200016, title = {Nature of the active site in ziegler-natta olefin polymerization catalysis systems - a computational investigation}, journal = {European Journal of Inorganic Chemistry}, number = {29}, year = {2014}, month = {OCT}, pages = {5063-5076}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {Alkene polymerization, Density functional calculations, heterogeneous catalysis, Insertion, Polymers}, issn = {1434-1948}, doi = {10.1002/ejic.201402180}, author = {Kumawat, Jugal and Gupta, Virendra Kumar and Vanka, Kumar} } @article { ISI:000341282100018, title = {New Ru(II)/Os(II)-polypyridyl complexes for coupling to TiO2 surfaces through acetylacetone functionality and studies on interfacial electron-transfer dynamics}, journal = {Dalton Transactions}, volume = {43}, number = {36}, year = {2014}, month = {SEP}, pages = {13601-13611}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

New Ru(II)- and Os(II)-polypyridyl complexes have been synthesized with pendant acetylacetone (acac) functionality for anchoring on nanoparticulate TiO2 surfaces with a goal of developing an alternate sensitizer that could be utilized for designing an efficient dye-sensitized solar cell (DSSC). Time-resolved transient absorption spectroscopic studies in the femtosecond time domain have been carried out. The charge recombination rates are observed to be very slow, compared with those for strongly coupled dye molecules having catechol as the anchoring functionality. The results of such studies reveal that electron-injection rates from the metal complex-based LUMO to the conduction band of TiO2 are faster than one would expect for an analogous complex in which the chromophoric core and the anchoring moiety are separated with multiple saturated C-C linkages. Such an observation is rationalized based on computational studies, and a relatively smaller spatial distance between the dye LUMO and the TiO2 surface accounted for this. Results of this study are compared with those for analogous complexes having a gem-dicarboxy group as the anchoring functionality for covalent binding to the TiO2 surface to compare the role of binding functionalities on electron-transfer dynamics.

}, issn = {1477-9226}, doi = {10.1039/c4dt01571a}, author = {Banerjee, Tanmay and Biswas, Abul Kalam and Sahu, Tuhin Subhra and Ganguly, Bishwajit and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000344459400014, title = {N-Heterocyclic carbene-catalyzed enantioselective synthesis of functionalized cyclopentenes via alpha,beta-unsaturated acyl azoliums}, journal = {Chemical Communications}, volume = {50}, number = {93}, year = {2014}, month = {OCT}, pages = {14539-14542}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c4cc07433e}, author = {Mondal, Santigopal and Yetra, Santhivardhana Reddy and Patra, Atanu and Kunte, Sunita S. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000344997500118, title = {Nitrogen-doped graphene interpenetrated 3D Ni-nanocages: efficient and stable water-to-dioxygen electrocatalysts}, journal = {Nanoscale}, volume = {6}, number = {21}, year = {2014}, month = {SEP}, pages = {13179-13187}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2040-3364}, doi = {10.1039/c4nr03578j}, author = {Dhavale, Vishal M. and Gaikwad, Sachin S. and George, Leena and Devi, R. Nandini and Kurungot, Sreekumar} } @article { ISI:000331819800001, title = {Non-coding RNA interact to regulate neuronal development and function}, journal = {Frontiers in Cellular Neuroscience}, volume = {8}, year = {2014}, month = {FEB}, pages = {47}, publisher = {FRONTIERS RESEARCH FOUNDATION}, address = {PO BOX 110, LAUSANNE, 1015, SWITZERLAND}, abstract = {

The human brain is one of the most complex biological systems, and the cognitive abilities have greatly expanded compared to invertebrates without much expansion in the number of protein coding genes. This suggests that gene regulation plays a very important role in the development and function of nervous system, by acting at multiple levels such as transcription and translation. In this article we discuss the regulatory roles of three classes of non-protein coding RNAs (ncRNAs)-microRNAs (miRNAs), piwi-interacting RNA (piRNAs) and long-non-coding RNA (lncRNA), in the process of neurogenesis and nervous function including control of synaptic plasticity and potential roles in neurodegenerative diseases. miRNAs are involved in diverse processes including neurogenesis where they channelize the cellular physiology toward neuronal differentiation. miRNAs can also indirectly influence neurogenesis by regulating the proliferation and self renewal of neural stem cells and are dysregulated in several neurodegenerative diseases. miRNAs are also known to regulate synaptic plasticity and are usually found to be co-expressed with their targets. The dynamics of gene regulation is thus dependent on the local architecture of the gene regulatory network (GRN) around the miRNA and its targets. piRNAs had been classically known to regulate transposons in the germ cells. However, piRNAs have been, recently, found to be expressed in the brain and possibly function by imparting epigenetic changes by DNA methylation. piRNAs are known to be maternally inherited and we assume that they may play a role in early development. We also explore the possible function of piRNAs in regulating the expansion of transposons in the brain. Brain is known to express several lncRNA but functional roles in brain development are attributed to a few lncRNA while functions of most of the them remain unknown. We review the roles of some known lncRNA and explore the other possible functions of lncRNAs including their interaction with miRNAs.

}, keywords = {gene expression regulation, lncRNA, miRNA, network-motifs, piRNA}, issn = {1662-5102}, doi = {10.3389/fncel.2014.00047}, author = {Iyengar, Bharat R. and Choudhary, Ashwani and Sarangdhar, Mayuresh A. and Venkatesh, K. V. and Gadgil, Chetan J. and Pillai, Beena} } @article { ISI:000341287200025, title = {Nonstoichiometric calcium pyrophosphate: a highly efficient and selective catalyst for dehydration of lactic acid to acrylic acid}, journal = {RSC Advances}, volume = {4}, number = {63}, year = {2014}, month = {JUL}, pages = {33319-33326}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c4ra06429a}, author = {Ghantani, Vidhya C. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000340513400023, title = {Novel fluorescence probe for estimation of cysteine/histidine in human blood plasma and recognition of endogenous cysteine in live Hct116 cells}, journal = {Chemical Communications}, volume = {50}, number = {69}, year = {2014}, month = {SEP}, pages = {9899-9902}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c4cc04214j}, author = {Reddy, Upendar G. and Agarwalla, Hridesh and Taye, Nandaraj and Ghorai, Suvankar and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000337637100018, title = {NOx reduction at near ambient temperatures and under lean-burn conditions on modified pd surfaces}, journal = {ChemCatChem}, volume = {6}, number = {2}, year = {2014}, month = {FEB}, pages = {531-537}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {heterogeneous catalysis, nitrogen, oxygen, Palladium, surface chemistry}, issn = {1867-3880}, doi = {10.1002/cctc.201301033}, author = {Roy, Kanak and Gopinath, Chinnakonda S.} } @article { ISI:000341513700006, title = {Nucleophilic ring-opening of benzoxazinones by dbu: some observations}, journal = {Synthetic Communications}, volume = {44}, number = {20}, year = {2014}, month = {AUG}, pages = {2955-2960}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

This communication demonstrates the formation of an unusual nucleophilic ring opening of benzoxazinones by 1,8-diazabicycloundec-7-ene (DBU). This observation contradicts the intrinsic feature of a hindered nonnucleophilic base like DBU. Confirmation of the product was achieved via single-crystal X-ray diffraction studies.

}, keywords = {Benzoxazinones, caprolactam, DBU, HATU}, issn = {0039-7911}, doi = {10.1080/00397911.2014.910529}, author = {Baravkar, Sachin B. and Roy, Arup and Gawade, Rupesh L. and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000344132400051, title = {Oligomer-salt derived 3D, heavily nitrogen doped, porous carbon for Li-ion hybrid electrochemical capacitors application}, journal = {Carbon}, volume = {80}, year = {2014}, month = {DEC}, pages = {462-471}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

3D high surface area porous carbon is seen to form via self assembly of porous graphene sheets by direct pyrolysis of an oligomer salt tailored for the realization of molecular level activation. The oligomer salt was derived from 4-amino benzoic acid as the monomer by a facile free radical polymerization process. Incorporation of the functional groups (-COONa) eliminate the need for any external activating agents (KOH, ZnCl2, etc.) and also render high degree of sub-nanoscale homogeneity. This oligomer derived carbon (ODC) exhibits efficient performance in non-aqueous charge storage application namely Li-ion hybrid electrochemical capacitor (Li-HEC) owing to its high surface area, 3D interconnectivity and an appropriate pore size distribution. The Li-HEC fabricated with ODC based electrodes delivered a maximum energy density of similar to 63 Wh kg(-1) with spinel L4Ti5O12 as the anode. (C) 2014 Elsevier Ltd. All rights reserved.

}, issn = {0008-6223}, doi = {10.1016/j.carbon.2014.08.086}, author = {Gokhale, Rohan and Aravindan, Vanchiappan and Yadav, Prasad and Jain, Srashti and Phase, Deodatta and Madhavi, Srinivasan and Ogale, Satishchandra} } @article { ISI:000338748400051, title = {One-pot synthesis of 5-hydroxymethylfurfural by cellulose hydrolysis over highly active bimodal micro/mesoporous H-ZSM-5 catalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {7}, year = {2014}, month = {JUL}, pages = {1928-1932}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Direct synthesis of 5-hydroxymethylfurfural (5-HMF), a useful renewable biofuel and biochemical, was systematically studied by hydrolysis of microcrystalline cellulose over Bimodal-HZ-5 zeolite. Bimodal-HZ-5 zeolite obtained by post-synthesis modification of H-ZSM-5 with desilication was found to be a potential heterogeneous catalyst with 67\% cellulose conversion and 46\% yield of 5-HMF. Bimodal-HZ-5 was observed to be reusable for four cycles, without any loss in activity. The detailed optimization of process parameters and catalyst reusability are also presented. The present study opens a new avenue for the renewable one-pot synthesis of 5-HMF, a valuable product.

}, keywords = {5-Hydroxymethylfurfural, Biomodal-HZ-5, glucose, Hydrolysis, Microcrystalline cellulose}, issn = {2168-0485}, doi = {10.1021/sc500270z}, author = {Nandiwale, Kakasaheb Y. and Galande, Nitish D. and Thakur, Pratika and Sawant, Sanjay D. and Zambre, Vishal P. and Bokade, Vijay V.} } @article { ISI:000336020400012, title = {Partitioned EOMEA-MBPT(2): an efficient N-5 scaling method for calculation of electron affinities}, journal = {Journal of Chemical Theory and Computation}, volume = {10}, number = {5}, year = {2014}, month = {APR}, pages = {1923-1933}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We present an N-5 scaling modification to the standard EOMEA-CCSD method, based on the matrix partitioning technique and perturbative approximations. The method has lower computational scaling and smaller storage requirements than the standard EOMEA-CCSD method and, therefore, can be used to calculate electron affinities of large molecules and clusters. The performance and capabilities of the new method have been benchmarked with the standard EOMEA-CCSD method, for a test set of 20 small molecules, and the average absolute deviation is only 0.03 eV. The method is further used to investigate electron affinities of DNA and RNA nucleobases, and the results are in excellent agreement with the experimental values.

}, issn = {1549-9618}, doi = {10.1021/ct4009409}, author = {Dutta, Achintya Kumar and Gupta, Jitendra and Pathak, Himadri and Vaval, Nayana and Pal, Sourav} } @article { ISI:000327380800001, title = {Pd-Phosphinesulfonate bravely battles the {\textquoteleft}{\textquoteleft}vinyl halide insertion copolymerization{\textquoteright}{\textquoteright} barricade}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {52}, number = {1}, year = {2014}, month = {JAN}, pages = {1-6}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

This overview provides insights into the current state-of-the-art solutions to insertion copolymerization of functional olefinic monomers. The challenges in insertion copolymerization of functional olefinic monomers, with a special emphasis on vinyl halides, are highlighted. The crucial design of the Pd-phosphinesulfonate [Pd(PO)] enables up to 3.6 mol \% incorporation of vinyl fluoride (VF) in an ethylene-VF copolymerization reaction. In a significant development, insertion copolymerization of industrially relevant functional olefin, that is, vinyl chloride (VC), was unambiguously ascertained, and a detectable amount of VC (0.4 mol \%) was incorporated (at the chain end). In a detailed investigation, the in situ existence of (PO)PdH species during the polymerization was revealed, and it was demonstrated that these are indeed responsible for VC incorporation. (c) 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014, 52, 1-6

}, keywords = {functional olefin, insertion copolymerization, palladium catalyst, phosphinesulfonate, vinyl chloride}, issn = {0887-624X}, doi = {10.1002/pola.26968}, author = {Gaikwad, Shahaji R. and Deshmukh, Satej S. and Chikkali, Samir H.} } @article { ISI:000337000400508, title = {Permeation of lipidated protein in bilayer using unbiased simulations reveals signature motif for protein-membrane binding}, journal = {Biophysical Journal}, volume = {106}, number = {2, 1}, year = {2014}, note = {58th Annual Meeting of the Biophysical-Society, San Francisco, CA, FEB 15-19, 2014}, month = {JAN}, pages = {99A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Thukral, Lipi and Sengupta, Durba and Gokhale, Rajesh S.} } @article { ISI:000334067400005, title = {Perturbative approximation to hybrid equation of motion coupled cluster/effective fragment potential method}, journal = {Journal of Chemical Physics}, volume = {140}, number = {9}, year = {2014}, month = {MAR}, pages = {094101}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

Hybrid quantum mechanics/molecular mechanics (QM/MM) methods provide an attractive way to closely retain the accuracy of the QM method with the favorable computational scaling of the MM method. Therefore, it is not surprising that QM/MM methods are being increasingly used for large chemical/biological systems. Hybrid equation of motion coupled cluster singles doubles/effective fragment potential (EOM-CCSD/EFP) methods have been developed over the last few years to understand the effect of solvents and other condensed phases on the electronic spectra of chromophores. However, the computational cost of this approach is still dominated by the steep scaling of the EOM-CCSD method. In this work, we propose and implement perturbative approximations to the EOM-CCSD method in this hybrid scheme to reduce the cost of EOM-CCSD/EFP. The timings and accuracy of this hybrid approach is tested for calculation of ionization energies, excitation energies, and electron affinities of microsolvated nucleic acid bases (thymine and cytosine), phenol, and phenolate. (C) 2014 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4866838}, author = {Ghosh, Debashree} } @article { ISI:000341643300008, title = {Pharmacokinetic modeling of caco-2 cell permeability using genetic programming (GP) method}, journal = {Letters in Drug Design \& Discovery}, volume = {11}, number = {9}, year = {2014}, month = {NOV}, pages = {1112-1118}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

An accurate prediction of the pharmacokinetic properties of orally administered drugs is of paramount importance in pharmaceutical industry. Caco-2 cell permeability is a well established parameter for assessing the drug absorption profiles of lead molecules. Due to the restrictions on animal testing, prohibitive in situ models and ethical issues, the development of predictive models is essential. Genetic programming (GP) is an artificial intelligence (AI)-based exclusively data driven modeling paradigm. Given an example input-output data, it searches and optimizes, both the structure and parameters of a well fitting linear/non-linear input-output model. Despite this novelty, GP has not been widely exploited in drug design. Accordingly, in this study we propose a GP based approach for the in silico prediction of Caco-2 cell permeability using a diverse set of molecules. The predictions yielded a high magnitude for the training and test set correlation coefficient with low RMSE, indicating accurate Caco-2 permeability prediction and generalization performance by the GP model. The predictions were better or comparable to artificial neural networks (ANN) and support vector regression (SVR) methods. The GP based modeling approach illustrated will find diverse applications in (QSAR, QSPR and QSTR) modeling for the virtual screening of large libraries.

}, keywords = {ADME modeling, Caco-2 cell permeability, genetic programming, MLP, SVR}, issn = {1570-1808}, author = {Vyas, Renu and Goel, Purva and Karthikeyan, Muthukumarasamy and Tambe, S. S. and Kulkarni, B. D.} } @article {46382, title = {Photochromic metal organic frameworks for inkless and erasable printing}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C110}, type = {Meeting Abstract}, keywords = {Erasable Printing, Inkless Printing, metal organic framework}, issn = {2053-2733}, author = {Garai, Bikash and Banerjee, Rahul} } @conference { ISI:000352795700039, title = {Photo-enhanced field emission studies of tapered CdS nanobelts}, booktitle = {2014 27th International Vacuum Nanoelectronics Conference (IVNC) }, series = {International Vacuum Nanoelectronics Conference}, year = {2014}, note = {27th International Vacuum Nanoelectronics Conference (IVNC), Engelberg, SWITZERLAND, JUL 06-10, 2014}, month = {JUL}, publisher = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, organization = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, address = {345 E 47th St, New York, NY 10017 USA}, abstract = {

Field emission and photo-enhanced field emission characteristics of single crystalline tapered CdS nanobelts have been investigated. The turn-on field for the emission current density of similar to 0.1 mu A/cm(2) is found to be similar to 2.1 V/mu m, which is much lower than reported values for various CdS nanostructures. The photo-enhanced field emission current shows a reproducible photo-switching behavior with rise in current level nearly four times that of its initial preset value (similar to 1 mu A) which is found to be very remarkable. Possible mechanism of photo-enhanced field emission is discussed.

}, keywords = {Current stability, field emission, Nanobelts, Photoswitching}, isbn = {978-1-4799-5306-6}, issn = {2164-2370}, author = {Chavan, Padmakar G. and More, Mahendra A. and Joag, Dilip S. and Badadhe, Satish S. and Mulla, Imtiaz S.}, editor = {Tsujino, S. and Gobrecht, J. and Paraliev, M. and Braun, H. H. and Groening, O. and Feurer, T.} } @article { ISI:000341287200041, title = {Photophysical, bandstructural, and textural properties of o-FeNbO4 in relation to its cocatalyst-assisted photoactivity for water oxidation}, journal = {RSC Advances}, volume = {4}, number = {63}, year = {2014}, month = {JUL}, pages = {33435-33445}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this study, a relationship between physicochemical, photophysical and photocatalytic properties of hydrothermally synthesized orthorhombic iron niobate (FeNbO4) is investigated. o-FeNbO4 displayed a multi-regime optical absorbance, which was ascribed to at least two distinct phenomena: (i) bandgap (similar to 3.4 eV) excitation giving rise to UV absorbance and (ii) energy transitions involving disorder-induced sub-bandgap donor or acceptor states leading to visible light absorbance. The preparation-dependent distortion in the crystal lattice and the existence of closely spaced inter-bandgap energy states were corroborated by powder X-ray diffraction, photoluminescence, thermoluminescence, and Raman spectroscopy studies. The first principles electronic structure elucidation and photoelectrochemical measurements supported a wide bandgap for FeNbO4, in contrast to the narrow bandgap reported previously. Correspondingly, a small photocurrent density was observed for FeNbO4 (similar to 2 to 3 mu A cm(-2)) under 1 sun illumination, suggesting the availability of a smaller cross section of photogenerated charge pairs. Following these band characteristics, while no H-2 evolution was observed, FeNbO4 gave rise to particle size-dependent O-2 evolution during visible light irradiation of water in the presence of electron scavengers, the samples loaded with NiO as cocatalyst showing better activity. Further, the transmission electron microscopy examination revealed the dominant exposure of (011) facets of FeNbO4, besides a significant heterogeneity of inter-domain boundaries. Overall, our results confirm that the photoactivity of metal/oxide nanocomposites is governed by a combination of factors, such as: grain morphology, microstructure, surface adsorption states, and the localized inter-bandgap energy states. Our study also reveals that, in contrast to prevalent assumptions, the wavelength at the absorption edge may not represent the true band-to-band energy gap of metal oxide semiconductors, which is relevant to their photocatalytic activity.

}, issn = {2046-2069}, doi = {10.1039/c4ra06059h}, author = {Babu, Robin and Kelkar, Sarika A. and Kashid, Vikas and Achary, Srungarpu N. and Salunke, Hemant G. and Gupta, Narendra M.} } @conference {46367, title = {Photosensitive field emission study of SnS2 nanosheets (27th International Vacuum Nanoelectronics Conference )}, booktitle = {2014 27TH International Vacuum Nanoelectronics Conference (IVNC)}, year = {2014}, month = {JUL}, publisher = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, organization = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, address = {345 E 47TH ST, NEW YORK, NY 10017 USA}, abstract = {

SnS2 nanosheets (SnS(2)NSs), synthesized by one-step hydrothermal reaction, are subjected to Field Emission (FE) studies. For synthesis, specific concentrations of Na2SnO3 and thioamide solution are used. The FE study is carried out in all metal Ultra High Vacuum (UHV) chamber in planar diode configuration at a base pressure of similar to 10(-8) torr. A maximum current density of 110 mu A/cm(2) was attainable. The turn on field required to draw a current density of 1 mu A/cm(2) is found to be 2.6 V/mu m. A separate study was carried out to investigate the photosensitivity of the emitter by illuminating the specimen under visible light. In dark, the FN plot is non-linear, indicative of semiconductor nature of the emitter. However, on illumination, the FN plot is observed to be linear. This remarkable change can be explained by the photoconductivity imparted on illumination. The field at the tip is high in presence of light, than in dark, due to enhanced conductivity. It is also observed that on switching ON the light, the FE current increases almost instantaneously. Repetitive switching is observed at a fixed applied voltage, generating current pulses. The visible light soaking of the sample is carried out by illuminating the lamp for more than 100 minutes, where the current seems to saturate. On switching off the lamp the emission current decayed almost to its initial value exponentially. The photosensitivity has been studied for different wavelengths in the visible spectra. The maximum photosensitive field emission is observed for green filter. With this photoresponse, it is envisaged that SnS2 nanosheets are a potential candidate for optoelectronic applications of field emitters.

}, keywords = {field emission, photosensitivity, Photoswitching}, isbn = {978-1-4799-5306-6}, author = {Joshi, Padmashree D. and Joag, Dilip S. and Rout, Chandra Shekhar and Late, Dattatray J.}, editor = {Tsujino, S and Gobrecht, J and Paraliev, M and Braun, HH and Groening, O and Feurer, T} } @article {46364, title = {Polarization switching characteristics of 0.5BaTi(0.8)Zr(0.2)O(3)-0.5Ba(0.7)Ca(0.3)TiO(3) lead free ferroelectric thin films by pulsed laser deposition}, journal = {JOURNAL OF APPLIED PHYSICS}, volume = {115}, year = {2014}, month = {APR }, pages = {154102}, type = {Article}, abstract = {

We report on the ferroelectricity for morphotropic-phase-boundary lead (Pb) free 0.5BaTi(0.8)Zr(0.2)O(3)-0.5Ba(0.7)Ca(0.3)TiO(3) (0.5BZT-0.5BCT) thin films. Thin films were grown on Pt/Ti/SiO2/Si substrate using pulsed laser deposition. Raman spectroscopic data combined with the X-ray diffraction analyses confirm body centered tetragonal crystallographic structure 0.5BZT-0.5 BCT thin films on Pt/Ti/SiO2/Si. Polarization studies demonstrate that these 0.5BZT-0.5BCT films exhibit a large remnant and saturation polarization of 37 mu C/cm(2) and 40 mu C/cm(2), respectively, with a coercive field of 140 kV/cm. A correlation between polarization dynamics, structural distortion, and phonon vibration is established. The splitting of X-ray diffraction peak of the thin film in the 2 theta range of 44.5 degrees to 46.5 degrees represents high degree of tetragonality. The tetragonality factor calculated by Rietveld analysis was found to be 0.006 and can be a major cause for the increased remnant polarization value. It is established from Raman spectra that the non-centrosymmetricity due to the displacement of Ti/Zr ions from its octahedral position is related to the peak position as well as the broadening of the A(1) (LO) optical phonon mode. This increase of broadness in the thin film causes an increase in the dipole moment of the unit cell and, hence, the net increase in polarization values. (C) 2014 AIP Publishing LLC.

}, issn = {0021-8979}, doi = {10.1063/1.4871673}, author = {Kolekar, Y. D. and Bhaumik, A. and Shaikh, P. A. and Ramana, C. V. and Ghosh, K.} } @article { ISI:000340975900071, title = {Poly (3,4-ethylenedioxythiophene) (PEDOT) and poly (3,4-ethylenedioxythiophene)-few walled carbon nanotube (PEDOT-FWCNT) nanocomposite based thin films for Schottky diode application}, journal = {Materials Chemistry and Physics}, volume = {147}, number = {3}, year = {2014}, month = {OCT}, pages = {867-877}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Transparent, conductive films of poly (3,4-ethylenedioxythiophene) (PEDOT) and poly (3,4-ethylenedioxythiophene)-few walled carbon nanotube (PEDOT-FWCNT) nanocomposite were synthesized by in-situ oxidative polymerization and investigated for their Schottky diode property. The prepared films were characterized by UV-Vis spectroscopy, thermal gravimetric analysis (TGA), surface resistivity, cyclic voltametery, scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HRTEM). SEM reveals the formation of homogeneous and adhesive polymer films while HRTEM confirms the uniform wrapping of polymer chains around the nanotube walls for PEDOT-FWCNT film. Improved thermal stability, conductivity and charge storage property of PEDOT in the presence of FWCNT is observed. Among different compositions, 5 wt. \% of FWCNT is found to be optimum with sheet resistance and transmittance of 500 Omega sq(-1) and 77\%, respectively. Moreover, the electronic and junction properties of polymer films were studied and compared by fabricating sandwich type devices with a configuration of Al/PEDOT or PEDOT-FWCNT nanocomposite/indium tin oxide (ITO) coated glass. The measured current density-voltage characteristics show typical rectifying behavior for both configurations. However, enhanced rectification ratio and higher forward current density is observed in case of PEDOT-FWCNT based Schottky diode. Furthermore, reliability test depicts smaller hysteresis effect and better performance of PEDOT-FWCNT based diodes. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Composite materials, Electrical properties, Polymer, Thin films}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2014.06.032}, author = {Gupta, Bhavana and Mehta, Minisha and Melvin, Ambrose A. and Kamalakannan, R. and Dash, Sitaram and Kamruddin, M. and Tyagi, A. K.} } @article {46395, title = {Post-synthetically modified porous covalent framework (PCF) for high proton conduction}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C1156}, type = {Meeting Abstract}, keywords = {Porous Covalent Framework, Post-synthetic Modification, proton conduction}, issn = {2053-2733}, author = {Samanta, Partha and Desai, Aamod and Anothumakkool, Bihag and Shirolkar, Mandar and Karmakar, Avishek and Kurungot, Sreekumar and Ghosh, Sujit} } @article { ISI:000335400800021, title = {Prediction of higher heating value of solid biomass fuels using artificial intelligence formalisms}, journal = {Bioenergy Research}, volume = {7}, number = {2}, year = {2014}, month = {JUN}, pages = {681-692}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The higher heating value (HHV) is an important property defining the energy content of biomass fuels. A number of proximate and/or ultimate analysis based predominantly linear correlations have been proposed for predicting the HHV of biomass fuels. A scrutiny of the relationships between the constituents of the proximate and ultimate analyses and the corresponding HHVs suggests that all relationships are not linear and thus nonlinear models may be more appropriate. Accordingly, a novel artificial intelligence (AI) formalism, namely genetic programming (GP) has been employed for the first time for developing two biomass HHV prediction models, respectively using the constituents of the proximate and ultimate analyses as the model inputs. The prediction and generalization performance of these models was compared rigorously with the corresponding multilayer perceptron (MLP) neural network based as also currently available high-performing linear and nonlinear HHV models. This comparison reveals that the HHV prediction performance of the GP and MLP models is consistently better than that of their existing linear and/or nonlinear counterparts. Specifically, the GP- and MLP-based models exhibit an excellent overall prediction accuracy and generalization performance with high (\> 0.95) magnitudes of the coefficient of correlation and low (\< 4.5 \%) magnitudes of mean absolute percentage error in respect of the experimental and model-predicted HHVs. It is also found that the proximate analysis-based GP model has outperformed all the existing high-performing linear biomass HHV prediction models. In the case of ultimate analysis-based HHV models, the MLP model has exhibited best prediction accuracy and generalization performance when compared with the existing linear and nonlinear models. The AI-based models introduced in this paper due to their excellent performance have the potential to replace the existing biomass HHV prediction models.

}, keywords = {Artificial intelligence, Artificial neural networks, Biomass fuels, genetic programming, Higher heating value, Multilayer perceptron}, issn = {1939-1234}, doi = {10.1007/s12155-013-9393-5}, author = {Ghugare, Suhas B. and Tiwary, S. and Elangovan, V. and Tambe, S. S.} } @article { ISI:000345826100018, title = {Preferential growth of Au on CdSe quantum dots using langmuir-blodgett technique}, journal = {RSC Advances}, volume = {4}, number = {110}, year = {2014}, month = {NOV}, pages = {64535-64541}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Oleyl amine capped CdSe quantum dots (QD) were synthesised by hot injection technique. These QDs formed a self-assembled monolayer on an aqueous subphase of a Langmuir-Blodgett (LB) trough. Here, in this report we introduced a simple but very efficient route to form a metal (Au)-QD hybrid nanostructure via the LB technique. In this method, the metal counterpart of the hybrid nanostructure could be deposited exclusively on one side of the QDs. The formation of stable monolayer of QDs was evidenced from a surface pressure-area (P-A) isotherm. The development of gold tip was confirmed and monitored by detailed TEM study on the monolayer deposited on TEM grids from the LB trough. Other characterizations like UV-Vis spectroscopy, FTIR, XPS and EDX also suggested the same. Oleyl amine was shown to act both as a reducing agent as well as a capping agent in this strategy.

}, issn = {2046-2069}, doi = {10.1039/c4ra11715h}, author = {Das, Subhasis and Satpati, Biswarup and Chauhan, Himani and Deka, Sasanka and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000335757800015, title = {Preparation and characterization of silver particulate films on softened polystyrene and poly(4-vinylpyridine) blends}, journal = {Journal of Materials Science-Materials In Electronics}, volume = {25}, number = {6}, year = {2014}, month = {JUN}, pages = {2501-2506}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Results of the investigations carried out on the optical properties of silver particulate films deposited at a rate of 0.4 nm/s on softened polystyrene and poly(4-vinylpyridine) (P4VP) blends held at 455 K are reported. Under the conditions of deposition, a sub-surface particulate structure is expected. It had been shown earlier that the morphology of the sub-surface particulate structure is dependent on polymer-metal interaction. In the present studies, an inert polymer like polystyrene (PS) is blended with an interacting polymer P4VP. The optical studies on the silver particulate films deposited on softened blends of PS/P4VP have been carried out. The results show a shift in plasmon resonance to higher wavelength with increasing P4VP concentration of the blends in comparison to that of the films deposited on pure PS. An X-ray photoelectron spectroscopy study at two different electron take off angles indicates the formation of subsurface particulate structures for films deposited on blends.

}, issn = {0957-4522}, doi = {10.1007/s10854-014-1902-6}, author = {Gurumurthy, S. C. and Pattabi, Manjunatha and Krishna, Shreedhar and Gaikwad, A. B.} } @article {43305, title = {Preparation of pyrazole carboxylic acid analogues as anti-mycobacterial drug candidates}, number = {PCT/IB2014/060936}, year = {2014}, month = {OCT}, type = {Application}, abstract = {The present invention relates to the pyrazole carboxylic acid analogues of Formula (1) or stereoisomers, or esters or pharmaceutically acceptable salts thereof, as potent anti- mycobacterial agents. Formula Further it discloses the pharmaceutical composition comprising compounds of Formula-I for the treatment of mycobacterial infections.}, author = {Gajbhiye, Jayant M.} } @article { ISI:000332485000048, title = {Probing the folding induction ability of orthanilic acid in peptides: some observations}, journal = {RSC Advances}, volume = {4}, number = {25}, year = {2014}, month = {JAN}, pages = {13018-13025}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This paper describes the ability of orthanilic acid (2-aminobenzenesulfonic acid, (S)Ant) to promote folding when introduced in a peptide sequence. Three peptide sequences, containing orthanilic acid (SAnt) with a sulfonamide moiety in the turn segment, have been synthesized in the solution phase using suitable coupling agents, and their structural aspects investigated using NMR and X-ray crystallographic studies. Solid- and solution-state conformational analyses reveal that the peptide sequences containing orthanilic acid in their backbone exist in a folded conformation featuring long-range 15-membered ring H-bonding.

}, issn = {2046-2069}, doi = {10.1039/c3ra47039c}, author = {Roy, Arup and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article {46405, title = {Protecting group free and scalable approach towards total synthesis of (-)-venlafaxine}, journal = {RSC Advances}, volume = {4}, year = {2014}, month = {FEB}, pages = {14468-14470}, type = {Article}, abstract = {

A protecting group free asymmetric total synthesis of (-)-venlafaxine is reported. The strategy employs Sharpless epoxidation and regio-selective epoxide ring opening by an in situ generated Gilman reagent as key steps. This paper reports a 53\% overall yield in 6 steps for total synthesis of (-)-venlafaxine.

}, issn = {2046-2069}, doi = {10.1039/c4ra00840e}, author = {Chavan, Subhash P. and Pawar, Kailash P. and Garai, Sumanta} } @article { ISI:000346161500008, title = {Protecting-group-free diastereoselective total synthesis of (+/-)-6-epi-cleistenolide and chemoenzymatic synthesis of (-)-6-epi-cleistenolide}, journal = {European Journal of Organic Chemistry}, number = {36}, year = {2014}, month = {DEC}, pages = {8049-8054}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A short, efficient, practical, and protecting-group-free diastereoselective total synthesis of (+/-)-6-epi-cleistenolide (1) has been achieved in five steps in 60\% overall yield. The use of a chemoenzymatic approach also gave (-)-6-epi-cleistenolide (1) (\>99.9\% ee). The Achmatowicz reaction, chemoselective oxidation of a hemiacetal, diastereoselective 1,3-anti reduction of alpha-hydroxy ketone, and enzymatic resolution of a 1,3-diol are the key features of this linear total synthesis. The synthetic strategy demonstrated in this paper could be extended for an asymmetric total synthesis of (-)-cleistenolide (1) and related biologically active natural products.

}, keywords = {Asymmetric synthesis, diastereoselectivity, Enzyme catalysis, Lipases, Oxygen heterocycles, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201403123}, author = {Mahajan, Pankaj S. and Gonnade, Rajesh G. and Mhaske, Santosh B.} } @article {43330, title = {Proteomic analysis of human plasma in chronic rheumatic mitral stenosis reveals proteins involved in the complement and coagulation cascade}, journal = {Clinical Proteomics}, volume = {11}, year = {2014}, month = {SEP}, pages = {Article Number: 35}, abstract = {Background: Rheumatic fever in childhood is the most common cause of Mitral Stenosis in developing countries. The disease is characterized by damaged and deformed mitral valves predisposing them to scarring and narrowing (stenosis) that results in left atrial hypertrophy followed by heart failure. Presently, echocardiography is the main imaging technique used to diagnose Mitral Stenosis. Despite the high prevalence and increased morbidity, no biochemical indicators are available for prediction, diagnosis and management of the disease. Adopting a proteomic approach to study Rheumatic Mitral Stenosis may therefore throw some light in this direction. In our study, we undertook plasma proteomics of human subjects suffering from Rheumatic Mitral Stenosis (n = 6) and Control subjects (n = 6). Six plasma samples, three each from the control and patient groups were pooled and subjected to low abundance protein enrichment. Pooled plasma samples (crude and equalized) were then subjected to in-solution trypsin digestion separately. Digests were analyzed using nano LC-MSE. Data was acquired with the Protein Lynx Global Server v2.5.2 software and searches made against reviewed Homo sapiens database (UniProtKB) for protein identification. Label-free protein quantification was performed in crude plasma only. }, doi = {10.1186/1559-0275-11-35}, author = {Mukherjee, Somaditya and Jagadeeshaprasad, Mashanipalya G. and Banerjee, Tanima and Ghosh, Sudip K. and Biswas, Monodeep and Dutta, Santanu and Kulkarni, Mahesh J. and Pattari, Sanjib and Bandyopadhyay, Arun} } @article { ISI:000339880300021, title = {Proteomics of arsenic stress in the gram-positive organism Exiguobacterium sp PS NCIM 5463}, journal = {Applied Microbiology and Biotechnology}, volume = {98}, number = {15}, year = {2014}, month = {AUG}, pages = {6761-6773}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The general responses of microorganisms to environmental onslaughts are modulated by altering the gene expression pattern to reduce damage in the cell and produce compensating stress responses. The present study attempts to unravel the response of the Gram-positive Exiguobacterium sp. PS NCIM 5463 in the presence of [As(III)] and arsenate [As(V)] using comparative proteomics via two-dimension gel electrophoresis (2-DE) coupled with identification of proteins using matrix-assisted laser desorption/ionisation (MALDI-TOF/MALDI-TOF/TOF). Out of 926 Coomassie-stained proteins, 45 were differentially expressed (p \< 0.05). Considering the resolution and abundance level, 24 spots (peptides) were subjected to MALDI analysis, identified and categorised into several functional categories, viz., nitrogen metabolism, energy and stress regulators, carbohydrate metabolism, protein synthesis components and others. A functional role of each protein is discussed in Exiguobacterium sp. PS 5463 under arsenic stress and validated at their transcript level using a quantitative real-time polymerase chain reaction. Unlike previous reports that unravel the responses toward arsenic stress in Gram-negative organisms, the present study identified new proteins under arsenic stress in a Gram-positive organism, Exiguobacterium sp. PS NCIM 5463, which could elucidate the physiology of organisms under arsenic stress.

}, keywords = {Arsenic, Exiguobacterium, proteomics, Stress, Transcriptomics}, issn = {0175-7598}, doi = {10.1007/s00253-014-5873-6}, author = {Sacheti, Poonam and Patil, Rajendra and Dube, Ankita and Bhonsle, Hemangi S. and Thombre, Dipalee and Marathe, Sayali and Vidhate, Ravindra and Wagh, Priyanka and Kulkarni, Mahesh J. and Rapole, Srikanth and Gade, Wasudeo N.} } @article { ISI:000329791800007, title = {Pseudo-homogeneous kinetic model for esterification of acetic acid with propanol isomers over dodecatungstophosphoric acid supported on montmorillonite k10}, journal = {Journal of Physical Organic Chemistry}, volume = {27}, number = {2}, year = {2014}, month = {FEB}, pages = {121-127}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Esterification of acetic acid with propanol isomers such as isopropanol and naEuropropanol was carried out over dodecatungstophosphoric acid (DTPA), dodecamolybdophosphoric acid ammonium salt hydrate, and sodium tungstate hydrated purified supported on montmorillonite K10, which were characterized by powder XaEuroray diffraction, BrunaueraEuro{\textquoteright}EmmettaEuro{\textquoteright}Teller, and temperature programmed ammonia desorption. A pseudoaEurohomogeneous (PaEuroH) kinetic model was established for esterification of acetic acid with propanol isomers over DTPA supported on montmorillonite K10. Effects of various parameters such as reaction time, speed of agitation, particle size, temperature, percent catalyst loading, molar ratio and mixture of propanol isomer were investigated in detail. The 20\% (w/w) DTPA/K10 was found to be an optimum solid catalyst with 82\% naEuropropanol and 53\% isopropanol conversion with 100\% selectivity toward propyl acetate. The 20\% (w/w) DTPA/K10 catalyst was found to be reusable for three cycles. The reaction follows secondaEuroorder kinetics with activation energies of 25.53aEuro?kJaEuro?mol(a?{\textquoteright}1) and 28.15aEuro?kJaEuro?mol(a?{\textquoteright}1) for isopropanol and naEuropropanol, respectively. PseudoaEurohomogeneous kinetic model fitted with R-2 value of trend line 0.999. This implies that esterification reaction is kinetically controlled owing to high activation energy. Copyright a (c) 2013 John Wiley \& Sons, Ltd.

}, keywords = {Acetic acid, dodecatungstophosphoric acid, Esterification, kinetic model, montmorillonite K10}, issn = {0894-3230}, doi = {10.1002/poc.3249}, author = {Gurav, Hanumant R. and Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article { ISI:000328892300038, title = {Quantum confinement controlled solar hydrogen production from hydrogen sulfide using a highly stable CdS0.5Se0.5/CdSe quantum dot-glass nanosystem}, journal = {Nanoscale}, volume = {6}, number = {2}, year = {2014}, month = {OCT}, pages = {908-915}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We have demonstrated unique CdS0.5Se0.5 and CdSe quantum dot-glass nanosystems with quantum confinement effect. The stable, monodispersed CdS0.5Se0.5 and CdSe quantum dots (QDs) of size 2 to 12 nm have been grown in a germanate glass matrix by a simple melt quench technique at moderate temperature. XRD and Raman studies show formation of hexagonal CdS0.5Se0.5 and CdSe in the glass matrix. The quantum confinement of CdS0.5Se0.5 and CdSe was studied using TEM and UV-Vis spectroscopy. The band gap of the glass nanosystem was tuned from 3.6 to 1.8 eV by controlling the CdS0.5Se0.5 quantum dot size in the glass matrix. It can be further tuned to 1.68 eV using growth of CdSe quantum dots in the glass matrix. Considering the tuneable band gap of the CdS0.5Se0.5 and CdSe quantum dot-glass nanosystem for the visible light absorption, a study of size tuneable photocatalytic activity for hydrogen generation from hydrogen sulfide splitting was performed under visible light irradiation for the first time. The utmost hydrogen evolution, i.e. 8164.53 and 7257.36 mu mol h(-1) g(-1) was obtained for the CdS0.5Se0.5 and CdSe quantum dot-glass nanosystems, respectively. The apparent quantum yield (AQY) was observed to be 26\% and 21\% for the CdS0.5Se0.5 and CdSe quantum dot-glass nanosystems, respectively. It is noteworthy that the present glass nanosystem as a photocatalyst was found to be very stable as compared to naked powder photocatalysts.

}, issn = {2040-3364}, doi = {10.1039/c3nr04898e}, author = {Apte, Sanjay K. and Garaje, Sunil N. and Naik, Sonali D. and Waichal, Rupali P. and Baeg, Jin-Ook and Kale, Bharat B.} } @article { ISI:000342719500042, title = {Rapid access to benzoxaphospholes and their spiro analogues by a three-component coupling involving arynes, phosphines, and activated ketones}, journal = {Organic Letters}, volume = {16}, number = {19}, year = {2014}, month = {OCT}, pages = {5132-5135}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An operationally simple multicomponent coupling involving in situ generated arynes from 2 (trimethylsilyl)aryl triflates, phosphines, and various acyclic and cyclic activated carbonyl compounds has been developed. The reaction proceeds via a formal [3 + 2] cycloaddition mode giving access to differently substituted (spiro)benzoxaphosphole derivatives in moderate to good yields Mild reaction conditions. a broad scope. and the possibility of varying all the three-components are the notable features of the present reaction.

}, issn = {1523-7060}, doi = {10.1021/ol502490t}, author = {Bhunia, Anup and Roy, Tony and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000336442600003, title = {Rapid efficient synthesis and characterization of silver, gold, and bimetallic nanoparticles from the medicinal plant plumbago zeylanica and their application in biofilm control}, journal = {International Journal of Nanomedicine}, volume = {9}, year = {2014}, month = {MAY}, pages = {2635-2653}, publisher = {DOVE MEDICAL PRESS LTD}, address = {PO BOX 300-008, ALBANY, AUCKLAND 0752, NEW ZEALAND}, abstract = {

Background: Nanoparticles (NPs) have gained significance in medical fields due to their high surface-area-to-volume ratio. In this study, we synthesized NPs from a medicinally important plant - Plumbago zeylanica. Materials and methods: Aqueous root extract of P. zeylanica (PZRE) was analyzed for the presence of flavonoids, sugars, and organic acids using high-performance thin-layer chromatography (HPTLC), gas chromatography-time of flight-mass spectrometry (GC-TOF-MS), and biochemical methods. The silver NPs (AgNPs), gold NPs (AuNPs), and bimetallic NPs (AgAuNPs) were synthesized from root extract and characterized using ultraviolet-visible spectra, X-ray diffraction (XRD), energy-dispersive spectrometry (EDS), transmission electron microscopy (TEM), and dynamic light scattering (DLS). The effects of these NPs on Acinetobacter baumannii, Staphylococcus aureus, and Escherichia coli biofilms were studied using quantitative biofilm inhibition and disruption assays, as well as using fluorescence, scanning electron microscopy, and atomic force microscopy. Results: PZRE showed the presence of phenolics, such as plumbagin, and flavonoids, in addition to citric acid, sucrose, glucose, fructose, and starch, using HPTLC, GC-TOF-MS, and quantitative analysis. Bioreduction of silver nitrate (AgNO3) and chloroauric acid (HAuCl4) were confirmed at absorbances of 440 nm (AgNPs), 570 nm (AuNPs), and 540 nm (AgAuNPs), respectively. The maximum rate of synthesis at 50 degrees C was achieved with 5 mM AgNO3 within 4.5 hours for AgNPs; and with 0.7 mM HAuCl4 within 5 hours for AuNPs. The synthesis of AgAuNPs, which completed within 90 minutes with 0.7 mM AgNO3 and HAuCl4, was found to be the fastest. Fourier-transform infrared spectroscopy confirmed bioreduction, while EDS and XRD patterns confirmed purity and the crystalline nature of the NPs, respectively. TEM micrographs and DLS showed about 60 nm monodispersed Ag nanospheres, 20-30 nm Au nanospheres adhering to form Au nanotriangles, and about 90 nm hexagonal blunt-ended AgAuNPs. These NPs also showed antimicrobial and antibiofilm activity against E. coli, A. baumannii, S. aureus, and a mixed culture of A. baumannii and S. aureus. AgNPs inhibited biofilm in the range of 96\%-99\% and AgAuNPs from 93\% to 98\% in single-culture biofilms. AuNPs also showed biofilm inhibition, with the highest of 98\% in S. aureus. AgNPs also showed good biofilm disruption, with the highest of 88\% in A. baumannii. Conclusion: This is the first report on rapid and efficient synthesis of AgNPs, AuNPs and AgAuNPs from P. zeylanica and their effect on quantitative inhibition and disruption of bacterial biofilms.

}, keywords = {AgAuNPs, AgNPs, AuNPs, biofilm inhibition and disruption, GC-TOF-MS, P. zeylanica}, issn = {1178-2013}, doi = {10.2147/IJN.S59834}, author = {Salunke, Gayatri R. and Ghosh, Sougata and Kumar, R. J. Santosh and Khade, Samiksha and Vashisth, Priya and Kale, Trupti S. and Chopade, Snehal and Pruthi, Vikas and Kundu, Gopal and Bellare, Jayesh R. and Chopade, Balu Ananda} } @article {42640, title = {Relativistic equation-of-motion coupled-cluster method for the double-ionization potentials of closed-shell atoms}, journal = {Physical Review A}, volume = {90}, year = {2014}, month = {JUL}, pages = {Article No. 010501}, doi = {10.1103/PhysRevA.90.010501}, author = {Pathak, Himadri and Ghosh, Aryya and Sahoo, B. K. and Das, B. P. and Vaval, Nayana and Pal, Sourav} } @article { ISI:000327236600002, title = {Remarkable efficiency of a pin-II proteinase inhibitor sans two conserved disulfide bonds is due to enhanced flexibility and hydrogen bond density in the reactive site loop}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {32}, number = {1}, year = {2014}, month = {JAN}, pages = {13-26}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Capsicum annuum (L.) expresses diverse potato type II family proteinase inhibitors comprising of inhibitory repeat domain (IRD) as basic functional unit. Most IRDs contain eight conserved cysteines forming four disulfide bonds, which are indispensible for their stability and activity. We investigated the functional significance of evolutionary variations in IRDs and their role in mediating interaction between the inhibitor and cognate proteinase. Among the 18 IRDs encoded by C. annuum, IRD-7, -9, and -12 were selected for further characterization on the basis of variation in their reactive site loop, number of conserved cysteine residues, and higher theoretical G(bind) for interaction with Helicoverpa armigera trypsin. Moreover, inhibition kinetics showed that IRD-9, despite loss of some of the disulfide bonds, was a more potent proteinase inhibitor among the three selected IRDs. Molecular dynamic simulations revealed that serine residues in the place of cysteines at seventh and eighth positions of IRD-9 resulted in an increase in the density of intramolecular hydrogen bonds and reactive site loop flexibility. Results of the serine residues chemical modification also supported this observation and provided a possible explanation for the remarkable inhibitory potential of IRD-9. Furthermore, this natural variant among IRDs showed special attributes like stability to proteolysis and synergistic inhibitory effect on other IRDs. It is likely that IRDs have coevolved selective specialization of their structure and function as a response towards specific insect proteases they encountered. Understanding the molecular mechanism of pest protease-plant proteinaceous inhibitor interaction will help in developing effective pest control strategies.An animated interactive 3D complement (I3DC) is available in Proteopedia at http://proteopedia.org/w/Journal:JBSD:39

}, keywords = {Capsicum annuum, Helicoverpa armigera, Proteases, Proteinase inhibitor}, issn = {0739-1102}, doi = {10.1080/07391102.2012.745378}, author = {Joshi, Rakesh S. and Mishra, Manasi and Tamhane, Vaijayanti A. and Ghosh, Anirban and Sonavane, Uddhavesh and Suresh, C. G. and Joshi, Rajendra and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000343747200015, title = {Removal of carbonate ion through cellulose fiber supported solid membrane}, journal = {Journal of Engineered Fibers and Fabrics}, volume = {9}, number = {2}, year = {2014}, month = {JAN}, pages = {120-126}, publisher = {INDA}, type = {Article}, address = {PO BOX 1288, CARY, NC 27512-1288 USA}, abstract = {

A novel fiber supported solid membrane was prepared by chemical modification of cellulose fiber with tartaric acid, 8-hydroxyquinoline and magnesium carbonate for removal of bicarbonate ion. Loading effect of tartaric acid, magnesium metal ion and 8-hydroxyquinoline over cellulose fiber was studied for removal of carbonate ion. The selective removal of carbonate, sulfate, phosphate, and nitrate ions through fiber supported solid membrane was investigated. The removal of carbonate ion with/without bubbling of CO2 was determined in source and receiving phases.

}, issn = {1558-9250}, author = {Gaikwad, Abaji G.} } @article { ISI:000343023900010, title = {Resistance through inhibition: ectopic expression of serine protease inhibitor offers stress tolerance via delayed senescence in yeast cell}, journal = {Biochemical and Biophysical Research Communications}, volume = {452}, number = {3}, year = {2014}, month = {SEP}, pages = {361-368}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Protease inhibitors have been known to confer multiple stress tolerance in transgenic plants. We have assessed growth of yeast (Pichia pastoris GS115) strains expressing inhibitory repeat domains (PpIRD(+)) of previously characterized Capsicum annuum protease inhibitors under high salt, heavy metal and oxidative stress. PpIRD(+) strains exhibited multiple stress tolerance and showed differential molecular responses at transcriptional and translational level on exposure to stress inducing agents like heavy metal, high salt and H2O2. PpIRD(+) strains display significant reduction in metacaspase (Yca1) activity, the key enzyme in apoptosis, indicates the possibility of cross reactivity of IRDs (serine protease inhibitor) with cysteine proteases. PpIRD(+) and Saccharomyces cerevisiae knockout with Yca1 (Delta Yca1) strain showed similar growth characteristics under stress, which indicated the delayed senescence due to cellular metacaspase inhibition. Molecular docking study showed a close proximity of IRDs reactive site and the active site of metacaspase in the complex that signified their strong interactions. Maintenance of GAPDH activity, primary target of metacaspase, in PpIRD(+) strain evidenced the inhibition of metacaspase activity and survival of these cells under stress. This report demonstrates a potential molecular mechanism of protease inhibitor-based multiple stress tolerance in yeast strains. (C) 2014 Elsevier Inc. All rights reserved.

}, keywords = {Metacaspase, Multiple stress tolerance, protease inhibitor, Yeast}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2014.08.075}, author = {Joshi, Rakesh S. and Tanpure, Rahul S. and Singh, Rajan Kumar and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000340427600012, title = {Role of cation-anion cooperation in the selective synthesis of glycidol from glycerol using DABCO-DMC ionic liquid as catalyst}, journal = {RSC Advances}, volume = {4}, number = {61}, year = {2014}, month = {JUL}, pages = {32127-32133}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Transesterification of dimethyl carbonate with glycerol has been investigated using 1,4-diazabicyclo [2.2.2] octane (DABCO) based ionic liquid as a catalyst. DABCO reacted with dimethyl carbonate to form ionic liquid as the reaction progressed. Though the basicity of DABCO based ionic liquid was lower than that of DABCO, the catalytic activity and selectivity to glycidol was higher with DABCO based ionic liquid as a catalyst, indicating that basicity may not be the only criterion in deciding activity and selectivity of the reaction. The cooperative effect of the cation and anion of the ionic liquid is responsible for the observed results. The best results (97\% glycerol conversion with 83\% selectivity to glycidol and 17\% selectivity to glycerol carbonate) were obtained using DABCO based ionic liquid as a catalyst. A plausible mechanism involving the role of both the cation and anion of the ionic liquid has been proposed.

}, issn = {2046-2069}, doi = {10.1039/c4ra04290e}, author = {Munshi, Mudassir K. and Gade, Swapna M. and Rane, Vilas H. and Kelkar, Ashutosh A.} } @article { ISI:000344330800015, title = {Role of nanointerfaces in Cu- and Cu plus Au-based near-ambient-temperature CO oxidation catalysts}, journal = {ChemCatChem}, volume = {6}, number = {11}, year = {2014}, month = {NOV}, pages = {3116-3124}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Disordered mesoporous Cu-doped ceria-zirconia (Cu0.1Ce0.85Zr0.05O2), and gold deposited (Au/Cu0.1Ce0.85Zr0.05O2) catalysts were synthesized and evaluated for CO oxidation. Onset of CO oxidation activity, and 50\% (100\%) CO2 formation occurs at room temperature (RT), and 77 (120)degrees C, respectively, with Cu0.1Ce0.85Zr0.05O2. A small amount of gold on Cu0.1Ce0.85Zr0.05O2 induces the sustainable oxidation catalysis around RT. Onset of copper reduction temperature decreases from 110 degrees C on Cu0.1Ce0.85Zr0.05O2 to 48 degrees C with Au/Cu0.1Ce0.85Zr0.05O2, highlighting the direct interaction between Cu and Au through a Cu-Au interface. Au particles with a (00 1) facet deposit on an oxygen-deficient site of (111) facet of CeO2-ZrO2. Any decrease in surface Cu-content with increasing Au-content further supports the Au-Cu-Ce/Zr interface interactions. Nanointerfaces of Au clusters on Cu next to oxygen-deficient sites of CeO2-ZrO2 facilitate all the elementary steps of the CO + O-2 reaction to occur in close proximity at ambient conditions.

}, keywords = {carbon monoxide, Gold, heterogeneous catalysis, Oxidation, redox}, issn = {1867-3880}, doi = {10.1002/cctc.201402581}, author = {Gnanakumar, Edwin S. and Naik, Jarpla Madhusudhan and Manikandan, Marimuthu and Raja, Thirumalaiswamy and Gopinath, Chinnakonda S.} } @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: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: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: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: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: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: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: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: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 { 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 { 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 { 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 { ISI:000332188100002, title = {Superior grafting and state-of-the-art interfacial electron transfer rates for newly designed geminal dicarboxylate bound ruthenium(II)- and osmium(II)-polypyridyl dyes on TiO2 nanosurface}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {8}, year = {2014}, month = {FEB}, pages = {3864-3877}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two new Ru(II)-/Os(II)-polypyridyl based sensitizer dyes with geminal dicarboxylic acid group as the binding unit for superior grafting of the dye to TiO2 have been designed and synthesized. Steady-state photochemical studies of the two sensitizer dyes in presence of TiO2 in water confirm strong binding of the dyes to TiO2. Femtosecond transient absorption studies of these newly synthesized dyes on TiO2 nanosurface have been carried out in water and the results have been compared with those for the corresponding 4,4{\textquoteright}-dicarboxy-2,2{\textquoteright}-bipyridine analogues of the dyes. While the charge recombination rates are considerably slower, interestingly, the electron injection rates are very fast for multiple saturated C-C linkages present between the chromophoric core and the anchoring moiety. The origin and the consequences of such profound effects on the ultrafast interfacial dynamics are discussed. This is the first report on the ultrafast transient absorption studies of dyes with geminal dicarboxylic acid binding groups, which we believe will add significantly to the present research efforts toward the development of robust and efficient dyes for use in dye solar applications.

}, issn = {1932-7447}, doi = {10.1021/jp4077917}, author = {Banerjee, Tanmay and Biswas, Abul Kalam and Reddy, Upendar G. and Sahu, Tuhin Subhra and Das, Amitava and Ganguly, Bishwajit and Ghosh, Hirendra Nath} } @article { ISI: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: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: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: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: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: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: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: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: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: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:000337074700019, title = {Towards a sustainable and near ambient DeNO(x) under lean burn conditions: a revisit to no reduction on virgin and modified pd(111) surfaces}, journal = {ACS Catalysis}, volume = {4}, number = {6}, year = {2014}, month = {JUN}, pages = {1801-1811}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Catalytic conversion of NO in the presence of H-2 and O-2 has been studied on Pd(111) surfaces, by using a molecular beam instrument with mass spectrometry detection, as a function of temperature and reactants composition. N-2 and H2O are the major products observed, along with NH3 and N2O minor products under all conditions studied. Particular attention has been paid to the influence of O-2 addition toward NO dissociation. Although O-2-rich compositions were found to inhibit the deNO(x) activity of the Pd catalyst, some enhancement in NO reduction to N-2 was also observed up to a certain O-2 content. The reason for this behavior was determined to be the effective consumption of the H-2 in the mixture by the added O-2 and O atoms from NO dissociation. NO was proven to compete favorably against O-2 for the consumption of H-2, especially \<= 550 K, to produce N-2 and H2O. Compared with other elementary reaction steps, a slow decay observed with the 2H + 0 -\> H2O step under SS beam oscillation conditions demonstrates its contribution to the rate-limiting nature of the overall reaction. Pd(111) surfaces modified with O atoms in the subsurface (Md-Pd(111)) induces steady-state NO reduction at near-ambient temperatures (325 K) and opens up a possibility to achieve room temperature emission control. A 50\% increase in the reaction rates was observed at the reaction maximum on Md-Pd(111), as compared with virgin surfaces. Oxygen adsorption is severely limited below 400 K, and effective NO + H-2 reaction occurs on Md-Pd(111) surfaces. Valence band photoemission with a UV light source (He I) under different oxygen pressures with APPES clearly identified the characteristics of the Md-Pd(111) surfaces and PdO. The electron-deficient or cationic nature of Md-Pd(111) surfaces enhances the NO dissociation and inhibits oxygen chemisorption \<= 400 K under lean-burn conditions.

}, keywords = {deNO(x), heterogeneous catalysis, Hydrogen, lean burn, molecular beam, nitric oxide, Palladium, surface modification}, issn = {2155-5435}, doi = {10.1021/cs500342a}, author = {Roy, Kanak and Jain, Ruchi and Gopinath, Chinnakonda S.} } @article { ISI:000342064100002, title = {Tryptophan environment and functional characterization of a kinetically stable serine protease containing a polyproline II fold}, journal = {Journal of Fluorescence}, volume = {24}, number = {5}, year = {2014}, month = {SEP}, pages = {1363-1370}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The single tryptophan residue from Nocardiopsis sp. serine protease (NprotI) was studied for its microenvironment using steady state and time-resolved fluorescence. The emission maximum was observed at 353 nm with excitation at 295 nm indicating tryptophan to be solvent exposed. Upon denaturation with 6 M guanidinum thiocyanate (GuSCN) the emission maxima was shifted to 360 nm. Solute quenching studies were performed with neutral (acrylamide) and ionic (I- and Cs+) quenchers to probe the exposure and accessibility of tryptophan residue of the protein. Maximum quenching was observed with acrylamide. In the native state, quenching was not observed with Cs+ indicating presence of only positively charged environment surrounding tryptophan. However; in denatured protein, quenching was observed with Cs+, indicating charge reorientation after denaturation. No quenching was observed with Cs+ even at pH 1.0 or 10.0; while at acidic pH, a higher rate of quenching was observed with KI. This indicated presence of more positive charge surrounding tryptophan at acidic pH. In time resolved fluorescence measurements, the fluorescence decay curves could be best fitted to monoexponential pattern with lifetimes of 5.13 ns for NprotI indicating one conformer of the trp. Chemical modification studies with phenyl glyoxal suggested presence of Arg near the active site of the enzyme. No inhibition was seen with soyabean trypsin and limabean inhibitors, while, CanPI uncompetitively inhibited NprotI. Various salts from Hofmeister series were shown to decrease the activity and PPII content of NprotI.

}, keywords = {Fluorescence quenching, Hofmeister series, Nocardiopsis, Serine protease, Tryptophan}, issn = {1053-0509}, doi = {10.1007/s10895-014-1445-5}, author = {Rohamare, Sonali B. and Gaikwad, Sushama M.} } @article { ISI:000331774700017, title = {Two-in-one: inherent anhydrous and water-assisted high proton conduction in a 3D metal-organic framework}, journal = {Angewandte Chemie-International Edition}, volume = {53}, number = {10}, year = {2014}, month = {MAR}, pages = {2638-2642}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The development of solid-state proton-conducting materials with high conductivity that operate under both anhydrous and humidified conditions is currently of great interest in fuel-cell technology. A 3Dmetal-organic framework (MOF) with acid-base pairs in its coordination space that efficiently conducts protons under both anhydrous and humid conditions has now been developed. The anhydrous proton conductivity for this MOF is among the highest values that have been reported for MOF materials, whereas its water-assisted proton conductivity is comparable to that of the organic polymer Nafion, which is currently used for practical applications. Unlike other MOFs, which conduct protons either under anhydrous or humid conditions, this compound should represent a considerable advance in the development of efficient solid-state proton-conducting materials that work under both anhydrous and humid conditions.

}, keywords = {conducting materials, fuel cells, metal-organic frameworks, porous materials, proton conduction}, issn = {1433-7851}, doi = {10.1002/anie.201309077}, author = {Nagarkar, Sanjog S. and Unni, SreeKuttan M. and Sharma, Amitosh and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article { ISI:000345295000016, title = {Two-phase flow in metal monoliths: hydrodynamics and liquid-liquid extraction}, journal = {Canadian Journal of Chemical Engineering}, volume = {92}, number = {12}, year = {2014}, month = {DEC}, pages = {2166-2175}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

This work aims to explore the application of metal monoliths as a scale-up option for efficient liquid-liquid extraction. The pressure drop, mass transfer and residence time distribution are measured for low Ca (approximate to 10(-5)) with monoliths having three different cell densities. The cross-over section between two monoliths was seen to enhance mixing in the column. However, the RTD of two-phase liquid-liquid up-flow was inferior to the single phase RTD. For higher cell density substrates, the cross-over zones seem to cause trapping of slugs due to non-superimposing channel ends. Relatively high shear rates through the film of continuous phase helped enhance the mass transfer rates, thereby helping to achieve the desired extraction in a short column. The entrance sections and cross-over zones between the monoliths adversely affected the extraction for higher cell density monoliths. The analysis of data supports use of low cell density monolith for better performance and scale up.

}, keywords = {capillary, hydrodynamics, liquid-liquid extraction, monolith, slug flow}, issn = {0008-4034}, doi = {10.1002/cjce.22081}, author = {Deshpande, Jaydeep B. and Gosavi, Abha and Kulkarni, Amol A.} } @article { ISI:000330812400027, title = {Uptake of Azo dyes into silk glands for production of colored silk cocoons using a green feeding approach}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {2}, year = {2014}, month = {FEB}, pages = {312-317}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Dyeing of textile fabrics is considered to be one of the most polluting industries today, and there is a need to develop green processes that can reduce this pollution. A promising technology that can potentially cleanup the dyeing of silk fibers that are widely used for textile applications would involve the generation of intrinsically colored silk cocoons. This can be achieved by feeding of Bombyx mori silkworm larvae with a modified feed of mulberry leaves containing a sprayed dye solution. This process significantly reduces the need for treating toxic dye effluents that are generated in traditional dyeing processes. In this report, we have evaluated a set of seven different azo dyes that are used in the textile industry for dyeing to produce intrinsically dyed silk. The dyes used in the study had similar chemical structures with systematically varying partition coefficients. The results suggest that while some dyes produced intrinsically colored silk other did not. Careful evaluation of the physical properties of these related azo dyes suggest that the balance of hydrophobic and hydrophilic character is necessary for diffusion of the dye from the alimentary canal of the silkworm larva into the hemolymph and later into the silk glands. The partition coefficient of the dye also determines the preferential association of the dye with either sericin or fibroin protein in the silkworm gland and finally into the cocoon. These insights are extremely important in development of novel dye molecules that can be successfully fed to Bombyx mori silkworm larvae for producing intrinsically colored silk of various colors and shades.

}, keywords = {Azo dyes, Biochemical pathways, Color silk, Dye uptake, {\textquoteleft}{\textquoteright} Green {\textquoteleft}{\textquoteright} silk}, issn = {2168-0485}, doi = {10.1021/sc400355k}, author = {Nisal, Anuya and Trivedy, Kanika and Mohammad, Hasan and Panneri, Suyana and Sen Gupta, Sayam and Lele, Ashish K. and Manchala, Ramesh and Kumar, Nirmal S. and Gadgil, Mugdha and Khandelwal, Harish B. and More, Snehal and Laxman, Ryali Seeta} } @article { ISI:000334658000001, title = {UV photoelectron spectroscopy at near ambient pressures: mapping valence band electronic structure changes from Cu to CuO}, journal = {Analytical Chemistry}, volume = {86}, number = {8}, year = {2014}, month = {APR}, pages = {3683-3687}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Valence band (VB) changes and hence electronic structure evolution was directly observed with low kinetic energy (KE) electrons at near ambient pressure (NAP) conditions with He I photon source in a custom built laboratory ambient pressure photoelectron spectrometer (Lab-APPES). Polycrystalline Cu surfaces were gradually oxidized in O-2 to Cu2O, to a mixture of Cu2O + CuO, and finally to CuO between 300 and 625 K and at NAP. Typical VB features for Cu, Cu2O, and CuO were observed, and the results corroborate well with core level and Auger spectral changes. High mean free path associated with low KE electrons, very low or no inelastic scattering, and effective pumping and the design of electrostatic lens regime help to minimize the electron attenuation at NAP conditions. The present results extend the capabilities of the APPES tool to explore the in situ evolution of electronic structure of materials at NAP and high temperatures.

}, issn = {0003-2700}, doi = {10.1021/ac4041026}, author = {Roy, Kanak and Gopinath, Chinnakonda S.} } @article { ISI:000344906500001, title = {Way toward {\textquoteleft}{\textquoteleft}dietary pesticides{\textquoteright}{\textquoteright}: molecular investigation of insecticidal action of caffeic acid against helicoverpa armigera}, journal = {Journal of Agricultural and Food Chemistry}, volume = {62}, number = {45}, year = {2014}, month = {NOV}, pages = {10847-10854}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Bioprospecting of natural molecules is essential to overcome serious environmental issues and pesticide resistance in insects. Here we are reporting insights into insecticidal activity of a plant natural phenol. In silico and in vitro screening of multiple molecules supported by in vivo validations suggested that caffeic acid (CA) is a potent inhibitor of Helicoverpa armigera gut proteases. Protease activity and gene expression were altered in CA-fed larvae. The structure-activity relationship of CA highlighted that all the functional groups are crucial for inhibition of protease activity. Biophysical studies and molecular dynamic simulations revealed that sequential binding of multiple CA molecules induces conformational changes in the protease(s) and thus lead to a significant decline in their activity. CA treatment significantly inhibits the insect{\textquoteright}s detoxification enzymes, thus intensifying the insecticidal effect. Our findings suggest that CA can be implicated as a potent insecticidal molecule and explored for the development of effective dietary pesticides.

}, keywords = {Caffeic acid, Helicoverpa armigera, insecticidal activity, protease inhibitor}, issn = {0021-8561}, doi = {10.1021/jf503437r}, author = {Joshi, Rakesh S. and Wagh, T. P. and Sharma, N. and Mulani, Fayaj A. and Sonavane, U. and Thulasiram, H. V. and Joshi, Rakesh S. and Gupta, Vidya S. and Giri, Ashok P.} } @article {46403, title = {ZnO(N)-Spiro-MeOTAD hybrid photodiode: an efficient self-powered fast-response UV (visible) photosensor}, journal = {Nanoscale}, volume = {6}, year = {2014}, month = {FEB}, pages = {503-513}, type = {Article}, abstract = {

Organic-inorganic hybrid photo-detectors with a self-sufficient mode of operation represent a research area of great current interest. In most efficient photodetectors and optoelectronic devices compound semiconductors containing toxic elements such as Cd, As, Te, S, Se etc. are used and these are also expensive. Hence there is also a rapidly growing interest in replacing these with environmentally friendly and earth-abundant materials. Herein, we report a facile solution-processed fabrication of a self-powered organic-inorganic hybrid photodetector using n-type oriented ZnO nanorods and p-type Spiro-MeOTAD semiconductor. ZnO is eco-friendly and earth-abundant, and Spiro-MeOTAD is nonhazardous. We show that the latter has far less toxicity than the toxic elements stated above. This visible blind UV photodetector shows high sensitivity (10(2)) and a UV/visible rejection ratio of 300. It also exhibits fast response times of tau(rise) similar to 200 mu s and tau(fall) similar to 950 mu s. Importantly, with a small modification of nitrogen incorporation in ZnO one can also realize a highly-sensitive self-powered visible light photodetector with at least 1000\% (or higher) improvements in quality factors (photocurrent/sensitivity/response time) as compared to previously reported organic-inorganic hybrid photo-detectors based on metal-chalcogenides (CdS-PANI or CuInSe2-P3HT). Interestingly, the broadband sensitivity of such N:ZnO-Spiro-MeOTAD photodiode enables sensing of low intensity (similar to 28 mu W cm(-2)) ambient white light with a high photocurrent density of 120 nA cm(-2) making it an efficient ambient white light detector.

}, issn = {2040-3364}, doi = {10.1039/c3nr04727j}, author = {Game, Onkar and Singh, Upendra and Kumari, Tanya and Banpurkar, Arun and Ogale, Satishchandra} } @article { ISI:000357587500004, title = {Abiotic stress induces change in cinnamoyl CoA reductase (CCR) protein abundance and lignin deposition in developing seedlings of Leucaena leucocephala}, journal = {Physiology and Molecular Biology of Plants}, volume = {21}, number = {2}, year = {2015}, month = {APR}, pages = {197-205}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Aboitic stress such as drought and salinity are class of major threats, which plants undergo through their lifetime. Lignin deposition is one of the responses to such abiotic stresses. The gene encoding Cinnamoyl CoA Reductase (CCR) is a key gene for lignin biosynthesis, which has been shown to be over-expressed under stress conditions. In the present study, developing seedlings of Leucaena leucocephala (Vernacular name: Subabul, White popinac) were treated with 1 \% mannitol and 200 mM NaCl to mimic drought and salinity stress conditions, respectively. Enzyme linked immunosorbant assay (ELISA) based expression pattern of CCR protein was monitored coupled with Phlorogucinol/HCl activity staining of lignin in transverse sections of developing L. leucocephala seedlings under stress. Our result suggests a differential lignification pattern in developing root and stem under stress conditions. Increase in lignification was observed in mannitol treated stems and corresponding CCR protein accumulation was also higher than control and salt stress treated samples. On the contrary CCR protein was lower in NaCl treated stems and corresponding lignin deposition was also low. Developing root tissue showed a high level of CCR content and lignin deposition than stem samples under all conditions tested. Overall result suggested that lignin accumulation was not affected much in case of developing root however developing stems were significantly affected under drought and salinity stress condition.

}, issn = {0971-5894}, doi = {10.1007/s12298-015-0289-z}, author = {Srivastava, Sameer and Vishwakarma, Rishi K. and Arafat, Yasir Ali and Gupta, Sushim K. and Khan, Bashir Mohammad} } @article { ISI:000348357400007, title = {Acid stability of the kinetically stable alkaline serine protease possessing polyproline II fold}, journal = {Protein Journal}, volume = {34}, number = {1}, year = {2015}, month = {FEB}, pages = {60-67}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The kinetically stable alkaline serine protease from Nocardiopsis sp.; NprotI, possessing polyproline II fold (PPII) was characterized for its pH stability using proteolytic assay, fluorescence and Circular Dichroism (CD) spectroscopy, and Differential Scanning Calorimetry (DSC). NprotI was found to be functionally stable when incubated at pH 1.0, even after 24 h, while after incubation at pH 10.0, drastic loss in the activity was observed. The enzyme showed enhanced activity after incubation at pH 1.0 and 3.0, at higher temperature (50-60 A degrees C). NprotI maintained the overall PPII fold in broad pH range as seen using far UV CD spectroscopy. The PPII fold of NprotI incubated at pH 1.0 remained fairly intact up to 70 A degrees C. Based on the isodichroic point and T-m values revealed by secondary structural transitions, different modes of thermal denaturation at pH 1.0, 5.0 and 10.0 were observed. DSC studies of NprotI incubated at acidic pH (pH 1.0-5.0) showed T-m values in the range of 74-76 A degrees C while significant decrease in T-m (63.8 A degrees C) was observed at pH 10.0. NprotI could be chemically denatured at pH 5.0 (stability pH) only with guanidine thiocynate. NprotI can be classified as type III protein among the three acid denatured states. Acid tolerant and thermostable NprotI can serve as a potential candidate for biotechnological applications.

}, keywords = {Acid stability, DSC, Kinetic stability, Polyproline fold, Protease, Thermal unfolding}, issn = {1572-3887}, doi = {10.1007/s10930-014-9597-3}, author = {Rohamare, Sonali and Javdekar, Vaishali and Dalal, Sayli A. and Nareddy, Pavan Kumar and Swamy, Musti J. and Gaikwad, Sushama M.} } @article { ISI:000354505100017, title = {Activation by pretreatment of Ag-Au/Al2O3 bimetallic catalyst to improve low temperature HC-SCR of NOx for lean burn engine exhaust}, journal = {Applied Catalysis B-Environmental}, volume = {174}, year = {2015}, month = {SEP}, pages = {145-156}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Bimetallic Ag-Au/Al2O3 catalyst was synthesised by successive impregnation of 1\% Au and 1\% Ag on in-house prepared high surface area alumina (450 m(2)/g). The corresponding monometallic catalysts were also prepared by loading 1\% Ag or 1\% Au on the same high surface area alumina for comparison. The catalysts were characterised by various physico-chemical techniques and tested for SCR activity under lean burn engine exhaust conditions. Ag-Au/Al2O3 catalyst prepared by successive impregnation method showed considerably higher NO reduction (100\%) to N-2 compared to 1\% Au/Al2O3 (70\%) whereas the activity was comparable with that of 1\% Ag/Al2O3 (96\%). The effect of various pretreatments on SCR activity of Ag-Au/Al2O3 was studied and pretreatment at 250 degrees C in flow of hydrogen was found to give the best results with 100\% NO conversion to N-2 at 353 degrees C. Further ageing of the catalyst under reaction feed at 500 degrees C resulted in considerable increase in low temperature activity of bimetallic catalyst with similar to 40\% NO conversion at 222 degrees C. Even though the SCR activity of pretreated Ag-Au/Al2O3 and Ag/Al2O3 were comparable, after ageing the Ag-Au/Al2O3 showed significantly higher NO conversion (95\%) compared to Ag/Al2O3 (83\%) and Au/Al2O3 (70\%). The formation of H-2 and CO due to steam reforming of higher hydrocarbon (decane) was evidenced at the temperature of highest deNO(x) activity. Detailed investigation of the textural properties of the pretreated and aged catalysts showed presence of well dispersed metallic Au and Ag-n(delta+) clusters after pretreatment in hydrogen at 250 degrees C. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Ag-Au bimetallic catalyst, Catalyst ageing, dispersion, Low temperature HC-SCR, Steam reforming}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2015.02.035}, author = {More, Pavan M. and Nguyen, Duy L. and Granger, Pascal and Dujardin, Christophe and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @book {43005, title = {Advances and recent applications in LC-MS and HPLC}, year = {2015}, pages = {94}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {

Advances and Recent Applications in LC-MS and HPLC presents the most recent developments in liquid chromatography and mass spectrometry techniques. The book{\textquoteright}s content reaches across a range of disciplines and cites several case studies to effectively capture the advanced applications that make LC-MS and HPLC multifunctional and exacting techniques. Liquid chromatography and mass spectrometry systems generate chromatograms of column peaks and can provide molecular weights of separated materials and their solvent complexes. However, while these systems can provide structural information to confirm the identity of the compounds separated, the process is very expensive. This book provides identification of simple compounds resulting from fragmentation studies and their subsequent results, offering the reader access to information unavailable elsewhere and allowing researchers to avoid incurring the costs associated with obtaining the hands-on results that LC-MS systems generate. Applicable to chemical analysis, bioanalysis, and medicinal chemistry, as well as pharmaceutical science, synthetic chemistry, and industrial chemistry, Advances and Recent Applications in LC-MS and HPLC is a multidisciplinary reference that arms scientists with the latest research. Detailed case studies enable researchers to make the book{\textquoteright}s concepts immediately implementable.

}, author = {Azharuddin, Quazi Syed and Mahajan, Devidas T. and Masand, Vijay H. and Alafeefy, Ahmed M. and Gajbhiye, Jayant M. and El-Sayed, Nahed Nasser Eid and Wajid, Abdul and Mohammad, Noor} } @article {42933, title = {Advances in molecular quantum chemistry contained in the Q-Chem 4 program package}, journal = {Molecular Physics}, volume = {113}, year = {2015}, month = {JAN}, pages = {184-215}, abstract = {

A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem quantum chemistry program is provided, covering approximately the last seven years. These include developments in density functional theory methods and algorithms, nuclear magnetic resonance (NMR) property evaluation, coupled cluster and perturbation theories, methods for electronically excited and open-shell species, tools for treating extended environments, algorithms for walking on potential surfaces, analysis tools, energy and electron transfer modelling, parallel computing capabilities, and graphical user interfaces. In addition, a selection of example case studies that illustrate these capabilities is given. These include extensive benchmarks of the comparative accuracy of modern density functionals for bonded and non-bonded interactions, tests of attenuated second order Moller-Plesset (MP2) methods for intermolecular interactions, a variety of parallel performance benchmarks, and tests of the accuracy of implicit solvation models. Some specific chemical examples include calculations on the strongly correlated Cr-2 dimer, exploring zeolite-catalysed ethane dehydrogenation, energy decomposition analysis of a charged ter-molecular complex arising from glycerol photoionisation, and natural transition orbitals for a Frenkel exciton state in a nine-unit model of a self-assembling nanotube.

}, author = {Shao, Yihan and Gan, Zhengting and Epifanovsky, Evgeny and Gilbert, Andrew T. B. and Wormit, Michael and Kussmann, Joerg and Lange, Adrian W. and Behn, Andrew and Deng, Jia and Feng, Xintian and Ghosh, Debashree} } @article { ISI:000363982300002, title = {Agriproteomics of bread wheat: comparative proteomics and network analyses of grain size variation}, journal = {OMICS-A Journal Of Integrative Biology}, volume = {19}, number = {7}, year = {2015}, month = {JUL}, pages = {372-382}, publisher = {MARY ANN LIEBERT, INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {

Agriproteomics signifies the merging of agriculture research and proteomics systems science and is impacting plant research and societal development. Wheat is a frequently consumed foodstuff, has highly variable grain size that in effect contributes to wheat grain yield and the end-product quality. Very limited information is available on molecular basis of grain size due to complex multifactorial nature of this trait. Here, using liquid chromatography-mass spectrometry, we investigated the proteomics profiles from grains of wheat genotypes, Rye selection 111 (RS111) and Chinese spring (CS), which differ in their size. Significant differences in protein expression were found, including 33 proteins uniquely present in RS111 and 32 only in CS, while 54 proteins were expressed from both genotypes. Among differentially expressed proteins, 22 were upregulated, while 21 proteins were downregulated in RS111 compared to CS. Functional classification revealed their role in energy metabolism, seed storage, stress tolerance and transcription. Further, protein interactive network analysis was performed to predict the targets of identified proteins. Significantly different interactions patterns were observed between these genotypes with detection of proteins such as Cyp450, Sus2, and WRKY that could potentially affect seed size. The present study illustrates the potentials of agriproteomics as a veritable new frontier of plant omics research.

}, issn = {1536-2310}, doi = {10.1089/omi.2015.0040}, author = {Dawkar, Vishal V. and Dholakia, Bhushan B. and Gupta, Vidya S.} } @article { ISI:000362588700016, title = {Alumina-supported copper iodide: an efficient and recyclable catalyst for microwave-assisted synthesis of 1,4-disubstituted 1,2,3-triazoles via three-component reaction in water}, journal = {Asian Journal of Organic Chemistry}, volume = {4}, number = {9}, year = {2015}, month = {SEP}, pages = {943-951}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

A one-pot procedure for the synthesis of 1,4-disubstituted 1,2,3-triazoles by a three-component reaction of allyl or benzyl halides, sodium azide, and terminal alkynes over a neutral alumina-supported copper iodide catalyst has been developed. The products were isolated by simple filtration followed by washing of the catalyst with acetone. The products were obtained in almost pure form in up to 98\% yield (TON 495). The catalyst can be recycled for more than eight subsequent reactions. The halides are directly converted into triazoles via in situ formation of azides and thus handling of hazardous azides can be avoided. The broad scope of this protocol is shown by the synthesis of a variety of diversely substituted 1,2,3-triazoles and also two-component azide-alkyne click reaction. The key features of this procedure are the use of water as a solvent, recyclability of the catalyst up to eight runs without appreciable loss of activity, and high yields of products. The catalyst has been fully characterized by FTIR, solid-state NMR and EDX spectroscopy, ESEM, TGA, and XRD.

}, keywords = {1, 2, 3-triazoles, 4, copper(I) iodide, Cycloaddition, disubstituted 1, Microwave chemistry, supported catalysts}, issn = {2193-5807}, doi = {10.1002/ajoc.201500189}, author = {Agalave, Sandip G. and Pharande, Shrikant G. and Gade, Swapna M. and Pore, Vandana S.} } @article { ISI:000365952200050, title = {Ammonium persulfate activated DMSO as a one-carbon synthon for the synthesis of methylenebisamides and other applications}, journal = {RSC Advances}, volume = {5}, number = {123}, year = {2015}, month = {NOV}, pages = {101641-101646}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Activation of DMSO to work as an economical and environmentally benign one-carbon synthon has been achieved by using a bench-top reagent ammonium persulfate for general and efficient access to symmetrical methylenebisamides from primary amides. This methodology was used to achieve a three-component Mannich reaction using acetophenone, saccharin and DMSO to furnish a beta-amino ketone. It also provided a metal-free synthesis of thiadiazole and bis(phenyl)methane. Effectively, this method uses DMSO as a safer surrogate to formaldehyde. A mechanism for methylenebisamide formation involving radical intermediates has been proposed based on mechanistic studies.

}, issn = {2046-2069}, doi = {10.1039/c5ra21801b}, author = {Mahajan, Pankaj S. and Tanpure, Subhash D. and More, Namita A. and Gajbhiye, Jayant M. and Mhaske, Santosh B.} } @article {43003, title = {Analysis of pantaprazole na monohydrate and sesquihydrate by powder x-ray diffraction (PXRD)}, journal = {Journal of Medicinal Chemistry and Drug Discovery}, year = {2015}, month = {JAN}, pages = {320 - 323}, abstract = {

Pantaprazole Na monohydrate and sesquihydrate were characterized by PXRD.significant difference in the diffraction patterns of Pantaprazole Na hydrates. The sesquihydrate contains all the diffraction peaks of monohydrate in addition to peaks.

}, author = {Mahajan, Devidas T. and Mohmad, Noor and Raut, D. M. and Gajbhiye, Jayant M.} } @article {43075, title = {Analytical and bioanalytical UHPLC-MS method validation for determination of metformin, a bigunaide and sitagliptin, a DPP-4 inhibitor}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {6}, year = {2015}, month = {MAY}, pages = {1000-1008}, doi = {10.13040/IJPSR.0975-8232.6(5).1907-14}, author = {Nakrani, Mital and Bairagee, Deepika and Goyal, Pradeep and Santhakumari, B.} } @article { ISI:000355856200035, title = {Antibacterial non-woven nanofibers of curcumin acrylate oligomers}, journal = {New Journal of Chemistry}, volume = {39}, number = {6}, year = {2015}, month = {MAR}, pages = {4464-4470}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two new (meth) acrylate monomers, namely, 4-((1E,6E)-7-(4{\textquoteright}-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl)-2-m ethoxyphenyl acrylate or curcumin monoacrylate (CmA) and 4-((1E, 6E)-7-(4{\textquoteright}-hydroxy-3-methoxyphenyl)- 3,5-dioxohepta-1,6-dienyl)-2-methoxyphenyl methacrylate or curcumin monomethacrylate (CmMA), are synthesized by reacting (1E, 6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione (curcumin) with acryloyl chloride and methacryloyl chloride, respectively. The respective derivatives are polymerized by free radical polymerization using an initiator, 2,2-azobisisobutyrontrile (AIBN), to obtain the oligomer of curcumin monoacrylate (OCM) and the oligomer of curcumin monomethacrylate (OCMA). The oligomers are characterized by FTIR, H-1 NMR and UV-vis spectroscopy. The molecular weights of the oligomers are determined by GPC to range between 2000 and 5500 Da. The melting temperature (T-m) and degradation temperature of the respective oligomers are evaluated by thermal analysis. The melting temperature of the oligomers ranged from 195 to 197 degrees C. Antibacterial studies are evaluated against Staphylococcus aureus, in which the minimum inhibitory concentration (MIC) of OCA1 is 27 mg mL(-1). The blends of the individual oligomers with poly(lactic acid) are electrospun to obtain the respective non-woven nanofiber mats. Nanofibers are formed, with the diameter ranging from 400 to 750 nm, and the nanofiber mats are porous. Because the nanofiber mats are antibacterial and highly porous, they may have potential application as a wound dressing material for tissue regeneration.

}, issn = {1144-0546}, doi = {10.1039/c4nj01936a}, author = {Killi, Naresh and Paul, Vejendla Luke and Gundloori, Rathna Venkata Naga} } @article { ISI:000364265500015, title = {Arsenic detection in water: YPO4:Eu3+ nanoparticles}, journal = {Journal of Solid State Chemistry}, volume = {232}, year = {2015}, month = {DEC}, pages = {83-90}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

This work reports on the novel technique of detection of arsenic in aqueous solution utilising the luminescence properties of lanthanide doped nanomaterials. Eu3+ (5\%) doped YPO(4)nanorodswere utilised for the said experiment. Co-precipitation method was used for the synthesis of the materials and characterised them with different instrumental techniques like X-ray diffraction (XRD), Infra-red (IR), UV-absorption, scanning electron microscope (SEM), transmission electron microscope (TEM), X-ray photoelectron spectroscopy (XPS) and photoluminescence studies. This nanoparticle can adsorb both arsenic and arsenious acids. We studied the effect of arsenic adsorption on the luminescence behaviour of the nanoparticles. Arsenic acid enhanced the luminescence intensity whereas arsenious acid quenched the luminescence. This luminescence enhancement or quenching is related with arsenic concentration. This relation of luminescence property with concentration of arsenic can be used to detect arsenic in industrial waste. (C) 2015 Elsevier Inc. All rights reserved.

}, keywords = {Arsenic detection, Luminescence, Nanomaterials}, issn = {0022-4596}, doi = {10.1016/j.jssc.2015.09.009}, author = {Ghosh, Debasish and Luwang, Meitram Niraj} } @article {43029, title = {Association between serum albumin and glycated hemoglobin in Asian Indian subjects}, journal = {Indian Journal of Endocrinology and Metabolism}, volume = {19}, year = {2015}, month = {JAN}, abstract = {

Protein glycation plays a significant role in diabetic complications. Glycated hemoglobin (HbA1c) is a known predictor of diabetes and its complications. Albumin, found to be profoundly glycated in diabetes, and its level could regulate plasma protein as well as hemoglobin glycation. We aimed to evaluate the association between variations in albumin level with HbA1c in the Asian Indian population. We screened data of 929 subjects who have had a simultaneous measurement of fasting plasma glucose (FPG), HbA1c and albumin levels via the same blood collection. Data were analyzed by SPSS for 610 subjects who met the study criteria. There was a significant negative correlation between HbA1c and albumin concentration (r = -0.284; P \< 0.001). Univariate analysis showed the statistically significant decrease of average HbA1c but not for fasting plasma glucose (FPG) across increasing tertiles of albumin. Stepwise multiple regression model showed a significant correlation between HbA1c and serum albumin (P \< 0.05), FPG (P \< 0.001), hemoglobin (Hb) (P \< 0.001) and serum globulin (P \< 0.05). FPG was the strongest predictor (63.4\%) of variation of HbA1c. The albumin concentration (r = -0.114) accounted for 0.3\% (P \< 0.05) of the total variance in HbA1c independent of age, body mass index, FPG, Hb, creatinine, total protein and globulin. It was also observed that HbA1c decreases with increasing albumin concentration in those having FPG between 100 to \<126 mg/dl. Serum albumin negatively correlates with HbA1c in Asian Indians independent of other variables. This study suggests that predicting diabetes and its complication based on the HbA1c needs to be further investigated in Indian subjects.

}, doi = {10.4103/2230-8210.144631}, author = {Tiwari, Shalbha and Botahle, Manish and Hasan, Imtiaz and Kulkarni, Mahesh J. and Sayyad, Mehmood G. and Basu, Rita and Basu, Ananda and Unnikrishnan A. G.} } @article { ISI:000360398900018, title = {Asymmetric vinylogous michael reaction of cyclic enones with silyloxy furans}, journal = {Chemical Communications}, volume = {51}, number = {73}, year = {2015}, month = {JUL}, pages = {13941-13944}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The asymmetric vinylogous Michael reaction of cyclohexenone/medium and large cyclic enones with 2-silyloxyfuran is still a synthetic challenge. In this report, we have explored 1,4-conjugate addition of an enantioselective chiral, primary diamine catalyzed, 2-silyloxy furan to various cyclic enones and beta-substituted cyclic enones. The reaction provided syn-Michael adducts (cycloalkane connected gamma-butenolide) with good yields, diastereo and enantioselectivities. Furthermore, the synthetic potential of these syn-Michael adducts is demonstrated by 1,4-addition of nucleophiles on the butenolide substructure.

}, issn = {1359-7345}, doi = {10.1039/c5cc05617a}, author = {Jadhav, Amol P. and Rao, V. U. Bhaskara and Singh, Pradeep and Gonnade, Rajesh G. and Singh, Ravi P.} } @article { ISI:000348878600053, title = {Benzylation of acetic acid to benzyl acetate over highly active and reusable micro/meso-HZSM-5}, journal = {Chemical Engineering Research \& Design}, volume = {93}, year = {2015}, month = {JAN}, pages = {584-590}, publisher = {INST CHEMICAL ENGINEERS}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

Catalytic benzylation of acetic acid (AA) with benzyl alcohol (BA) to benzyl acetate was studied over zeolites viz. H-ZSM-5 (microporous, medium pore), Micro/Meso-HZSM-5 (combination of micro- and meso pore), H-Beta (microporous, large pore) to investigate catalytic activity and selectivity towards benzyl acetate. Micro/Meso-HZSM-5 obtained by desilication post-treatment has been employed as a heterogeneous catalyst for benzylation reaction probably for the first time. Micro/Meso-HZSM-5 was found to be a promising catalyst for benzylation with AA conversion of 94\%, selectivity towards benzyl acetate of 95\%. The detailed optimization of process parameters such as molar ratio, catalyst loading, reaction temperature and time was also presented. Micro/Meso-HZSM-5 catalyst was observed to be stable for six cycles (1 fresh and 5 recycles). The first order reaction kinetics (R-2 \>0.98) indicated that reaction rate constants increased with increasing reaction temperature. The activation energy for benzylation of AA with BA over Micro/Meso-HZSM-5 was obtained to be 15.07 kJ mol(-1), which is far less than the reported. (C) 2014 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

}, keywords = {Acetic acid, Benzyl acetate, Benzyl alcohol, Benzylation, Micro/Meso-HZSM-5, Reaction kinetics}, issn = {0263-8762}, doi = {10.1016/j.cherd.2014.06.015}, author = {Nandiwale, Kakasaheb Y. and Galande, Nitish D. and Raut, Sunil A. and Bokade, Vijay V.} } @article { ISI:000351792800014, title = {Bioactive polymersomes self-assembled from amphiphilic.PPO-glycopolypeptides: synthesis, characterization, and dual-dye encapsulation}, journal = {Langmuir}, volume = {31}, number = {11}, year = {2015}, month = {APR}, pages = {3402-3412}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Glycopolypeptide-based polymersomes have promising applications as vehicles for targeted drug delivery because they are capable of encapsulating different pharmaceuticals of diverse polarity as well as interacting with specific cell surfaces due to their hollow structural morphology and bioactive surfaces. We have synthesized glycopolypeptide-b-poly(propylene oxide) by ROP of glyco-N-carboxyanhydride (NCA) using the hydrophobic amine-terminated poly(propylene oxide) (PPO) as the initiator. This block copolymer is composed of an FDA-approved PPO hydrophobic block in conjugation with hydrophilic glycopolypeptides which are expected to be biocompatible. We demonstrate the formation of glycopolypeptide-based polymersomes from the self-assembly of glycopolypeptide-b-poly(propylene oxide) in which the presence of an ordered helical glycopolypeptide segment is required for their self-assembly into spherical nanoscale (similar to 50 nm) polymersomes. The polymersomes were characterized in detail using a variety of techniques such as TEM, AFM, cryo-SEM, and light-scattering measurements. As a model for drugs, both hydrophobic (RBOE) and hydrophilic (calcein) dyes have been incorporated within the polymersomes from solution. To substantiate the simultaneous entrapment of the two dyes, spectrally resolved fluorescence microscopy was performed on the glycopeptide polymersomes cast on a glass substrate. We show that it is possible to visualize individual nanoscale polymersomes and effectively probe the dyes colocalization and energy-transfer behaviors therein as well as investigate the variation in dual-dye encapsulation over a large number of single polymersomes. Finally, we show that the galactose moieties present on the surface can specifically recognize lectin RCA(120), which reveals that the polymersomes surface is indeed biologically active.

}, issn = {0743-7463}, doi = {10.1021/la503993e}, author = {Das, Soumen and Sharma, Dharmendar Kumar and Chakrabarty, Suman and Chowdhury, Arindam and Sen Gupta, Sayam} } @article { ISI:000346189100055, title = {Biocatalyst development for lactic acid production at acidic pH using inter-generic protoplast fusion}, journal = {RSC Advances}, volume = {5}, number = {3}, year = {2015}, month = {DEC}, pages = {2024-2031}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Global warming and environmental problems force us to develop sustainable processes based on the use of biocatalysts that are eco-friendly with the least potential toxicity. Lactic acid fermentation at neutral pH generates a large amount of gypsum during down-stream processing. Hence it is essential to develop Lactobacillus strains which produce lactic acid at acidic pH thus making the whole downstream process environmentally friendly. Fusant F3 was generated using protoplast fusion between Lactobacillus delbrueckii Mut Uc-3 and Acetobacter pasteurianus NCIM 2314 on solid media at pH 4.0. Fusant F3 was further treated by UV irradiation to generate a mutant, FM1, with improvements in acid tolerance which produced five-fold more lactic acid than the parent strain at acidic pH. The molecular studies using RAPD markers demonstrated that the fusant is derived from both the parental strains, Acetobacter and Lactobacillus and the mutant is derived from the fusant. The utilization of such acid tolerant strains could be able to produce free lactic acid at acidic pH without using neutralizing agents and will offer an effective means for designing environmentally benign processes for lactic acid production.

}, issn = {2046-2069}, doi = {10.1039/c4ra11104d}, author = {Singhvi, Mamata and Gurjar, Gayatri and Gupta, Vidya and Gokhale, Digambar V.} } @article { ISI:000359173900007, title = {Biochemical, structural and functional diversity between two digestive alpha-amylases from helicoverpa armigera}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1850}, number = {9}, year = {2015}, month = {SEP}, pages = {1719-1728}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Background: Helicoverpa armigera (Lepidoptera) feeds on various plants using diverse digestive enzymes as one of the survival tool-kit. The aim of the present study was to understand biochemical properties of recombinant alpha-amylases of H. armigera viz., HaAmy1 and HaAmy2. Methods: The open reading frames of HaAmy1 and HaAmy2 were cloned in Pichia pastoris and expressed heterologously. Purified recombinant enzymes were characterized for their biochemical and biophysical attributes using established methods. Results: Sequence alignment and homology modeling showed that HaAmy1 and HaAmy2 were conserved in their amino acid sequences and structures. HaAmy1 and HaAmy2 showed optimum activity at 60 degrees C; however, they differed in their optimum pH. Furthermore, HaAmy2 showed higher affinity for starch and amylopectin whereas HaAmy1 had higher catalytic efficiency. HaAmy1 and HaAmy2 were inhibited to the same magnitude by a synthetic amylase inhibitor (acarbose) while wheat amylase inhibitor showed about 2-fold higher inhibition of HaAmy1 than HaAmy2 at pH 7 while 6-fold difference at pH 11. Interactions of HaAmy1 and HaAmy2 with wheat amylase inhibitor revealed 2:1 stoichiometric ratio and much more complex interaction with HaAmy1. Conclusions: The diversity of amylases in perspective of their biochemical and biophysical properties, and their differential interactions with amylase inhibitors signify the potential role of these enzymes in adaptation of H. armigera on diverse plant diets. General significance: Characterization of digestive enzymes of H. armigera provides the molecular basis for the polyphagous nature and thus could assist in designing future strategies for the insect control. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {alpha-amylases, Amylase inhibitors, Digestive enzymes, Enzyme activity, Helicoverpa armigera}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2015.04.008}, author = {Bhide, Amey J. and Channale, Sonal M. and Patil, Sucheta S. and Gupta, Vidya S. and Ramasamy, Sureshkumar and Giri, Ashok P.} } @article { ISI:000355242800010, title = {Biomass exploitation - a challenge finding its way to reality}, journal = {Current Science}, volume = {108}, number = {9}, year = {2015}, month = {MAY}, pages = {1593-1594}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Lignocellulosic biomass holds the key to supplying the basic needs of society for sustainable production of chemicals and fuels without impacting the human food supply. The production of second-generation biofuels and chemicals from lignocellulosic biomass has not yet been commercialized due to its complex and recalcitrance structure. Therefore, the challenges involved in the production of lignocellulosic biomass-derived fuels and chemicals must be addressed. Search for economic pretreatment methods has been recognized as one of the main hurdles for processing of biomass to biofuels and chemicals. The conversion of all biomass components, lignin in particular, would greatly contribute to the economic viability of biomass-based processes for second-generation biofuels and chemicals. Hydrolysis of lignocellulose carbohydrates into fermentable sugars requires a suitable cellulase enzyme cocktail acting on both raw as well as pretreated biomass. Depending on raw material and pretreatment technology, the enzyme mixtures must be designed to degrade biomass carbohydrates. Recent publications on GVL-pretreatment to solubilize and degrade carbohydrates in biomass and CelA enzyme acting on raw biomass would probably meet the challenges in biomass conversion technologies.

}, issn = {0011-3891}, author = {Singhvi, Mamata S. and Gokhale, Digambar V.} } @article { ISI:000356735300012, title = {Bio-physical evaluation and in vivo delivery of plant proteinase inhibitor immobilized on silica nanospheres}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {130}, year = {2015}, month = {JUN}, pages = {84-92}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Recombinant expression of Capsicum annuum proteinase inhibitors (CanPI-13) and its application via synthetic carrier for the crop protection is the prime objective of our study. Herein, we explored proteinase inhibitor peptide immobilization on silica based nanospheres and rods followed by its pH mediated release in vitro and in vivo. Initial studies suggested silica nanospheres to be a suitable candidate for peptide immobilization. Furthermore, the interactions were characterized biophysically to ascertain their conformational stability and biological activity. Interestingly, bioactive peptide loading at acidic pH on nanospheres was found to be 62\% and showed 56\% of peptide release at pH 10, simulating gut milieu of the target pest Helicoverpa armigera. Additionally, in vivo study demonstrated significant reduction in insect body mass (158 mg) as compared to the control insects (265 mg) on 8th day after feeding with CanPI-13 based silica nanospheres. The study confirms that peptide immobilized silica nanosphere is capable of affecting overall growth and development of the feeding insects, which is known to hamper fecundity and fertility of the insects. Our study illustrates the utility and development of peptide-nanocarrier based platform in delivering diverse biologically active complexes specific to gut pH of H. armigera. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Biodelivery, Helicovera armigera, Protein {\textquoteleft}corona{\textquoteright}, Proteinase inhibitor, Silica nanospheres}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2015.03.060}, author = {Khandelwal, Neha and Doke, Dhananjay S. and Khandare, Jayant J. and Jawale, Priyanka V. and Biradar, Ankush V. and Giri, Ashok P.} } @article { ISI:000360829900002, title = {Blends of shellac as nanofiber formulations for wound healing}, journal = {Journal of Bioactive and Compatible Polymers}, volume = {30}, number = {5}, year = {2015}, month = {SEP}, pages = {472-489}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

Shellac is being used in food, pharmaceutical, and agricultural industries. It is seldom used for biomedical applications due to its poor mechanical property and instability. We designed thermoresponsive shellac-based bioactive nanofiber mats that mimic extracellular matrix to extend their utility in wound healing. Various blend compositions of shellac, gelatin, and poly(N-isopropylacrylamide) enriched with a bioactive agent, nadifloxacin, were prepared and nanofiber mats were fabricated. The morphology of the nanofiber formation was influenced by the concentration of polymer, drug, and polymer blend composition. Polymer-drug interactions and thermal and crystalline properties of nanofiber mats were analyzed. The shellac/gelatin/poly(N-isopropylacrylamide) blend of composition 3\%/7\%/3\% (w/v) was chosen to evaluate in vitro drug release. Release studies recorded slow, constant, and sustained release for 140h. The release kinetics and mechanism confirmed zero-order release with resultant r(2) values greater than 0.99, and the Korsmeyer-Peppas release exponent (n) was slightly higher than 0.8, which indicated that drug diffusion was anomalous or non-Fickian type and drug release followed diffusion involving chain stretching. Indirect cytotoxicity studies recorded insignificant toxicity against normal human fibroblast cells. In vivo studies demonstrated that drug-loaded nanofiber mats were more suitable for faster tissue regeneration as compared to nanofiber mats without drug and commercial nadifloxacin cream.

}, keywords = {drug release and mechanism, nanofibers, Shellac, thermoresponsive, tissue regeneration}, issn = {0883-9115}, doi = {10.1177/0883911515585180}, author = {Vannuruswamy, Garikapati and Rathna, Gundloori Venkata Naga and Gadgil, Bhagyashri Shashikant Thorat and Gadad, Anand Panchakshari} } @article { ISI:000354208900004, title = {Calcium phosphate nanocapsule crowned multiwalled carbon nanotubes for pH triggered intracellular anticancer drug release}, journal = {Journal of Materials Chemistry B}, volume = {3}, number = {19}, year = {2015}, month = {APR}, pages = {3931-3939}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report calcium phosphate (CaP) nanocapsule crowned multi-walled carbon nanotubes (CNT-GSH-G4-CaP) as a novel platform for intracellular delivery of an anticancer drug. As a proof-of-concept, CNT-GSH-G4-CaP demonstrates release of anticancer drug doxorubicin hydrochloride (DOX) within intracellular lysosomes from the interior cavity of CNT upon pH triggered CaP dissolution. Importantly, we found that the CNT with a CaP nanolid can efficiently prevent untimely drug release at physiological pH but promotes DOX release at increased acidic milieu as observed in subcellular compartments such as lysosomes (similar to 5.0). This {\textquoteleft}{\textquoteleft}zero premature release{\textquoteright}{\textquoteright} characteristic is of clinical significance in delivering cytotoxic drugs, by reducing systemic toxicity and thus beneficial for the effective anticancer treatment. We envision that this pH triggered CaP crowned CNT nanosystem would lead to a new generation of self-regulated platforms for intracellular delivery of a variety of anticancer drugs.

}, issn = {2050-750X}, doi = {10.1039/c5tb00534e}, author = {Banerjee, Shashwat S. and Todkar, Kiran J. and Khutale, Ganesh V. and Chate, Govind P. and Biradar, Ankush V. and Gawande, Manoj B. and Zboril, Radek and Khandare, Jayant J.} } @article { ISI:000365401700034, title = {Can silicon substituted metal-free organic dyes achieve better efficiency compared to silicon free organic dyes? a computational study}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {46}, year = {2015}, month = {OCT}, pages = {31093-31100}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The power conversion efficiency of metal-free organic dyes in dye-sensitized solar cells (DSSCs) is now comparable to ruthenium-based polypyridyl and zinc-based porphyrin dyes. We have computationally investigated the structural, electronic and optical properties of a series of metal free organic dyes and their corresponding silicon substituted dyes. The DFT and TD-DFT calculations revealed that silicon substituted organic dyes have higher efficiency than the corresponding silicon free organic dyes. The computational results showed that the presence of silole units as a spacer group can significantly affect the performance of DSSCs compared to typically using thiophene as a spacer unit. These results corroborate the experimental observations reported in the literature. The time-dependent density functional theory (TDDFT) calculations performed at the CPCM-CAM-B3LYP/6-31+G* level of theory showed better agreement with the experimental absorption spectra of some reported metal free organic dyes having silole in the spacer group compared to other functionals and are employed in this study. Indoline donor based dye 5 showed a much shorter absorption spectrum (absorption peak at 425 nm) and smaller electron injection driving force (Delta G(injection) = -1.77 eV) than the corresponding dye 8 containing silicon substituted indoline as a donor and a silole group as a spacer unit. lambda(max) = 502 nm and Delta G(injection) = -1.82 eV calculated for dye 8 are much larger than the corresponding silicon free dye 5. The silicon based dye 8 helps in achieving a much lower DGregeneration value than 5, which can facilitate the faster electron injection rate from the dye to the semiconductor TiO2. Dye 8 should also have a higher V-oc value compared to other dyes (5-7) due to favourable interaction with the electrolyte (I-/I-3(-)). The higher planarity and better conjugation in dye 8 facilitate the transfer of electrons from the dye molecules to the semiconductor TiO2. The calculations performed with phenyl protecting groups near the silicon center of the dye molecule 8 to diminish the dimerization process showed very similar optical properties as obtained with the corresponding unprotected dye system. The designed julolidine and pyrrolo-indolizine donor based dyes also showed a similar trend as observed for indoline donor based dyes.

}, issn = {1463-9076}, doi = {10.1039/c5cp05144d}, author = {Biswas, Abul Kalam and Das, Amitava and Ganguly, Bishwajit} } @article { ISI:000349917900007, title = {Can we shift and/or broaden the catalysis regime towards ambient temperature?}, journal = {ChemCatChem}, volume = {7}, number = {4}, year = {2015}, month = {FEB}, pages = {588-594}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

An attempt was made to shift the temperature regime of oxidation catalysis towards ambient temperatures by employing surface modification (SM) as a handle. Systematic SM of Pd(111) was performed by O-atom diffusion into the subsurfaces. Virgin and modified Pd(111) catalysts were evaluated for CO oxidation. Typical CO poisoning observed on virgin surfaces was partially lifted, and ambient CO oxidation was observed on the modified surfaces. CO oxidation was followed by the molecular beam method and near-ambient pressure (NAP) photoelectron spectroscopy under different pressure regimes. UV valence band spectral analysis of the SM and the CO+O-2 reaction on modified Pd(111) surfaces under NAP conditions demonstrated changes in the electronic structures of the surfaces with a change in surface potential by 0.35eV and directly probed CO2 formation under the reaction conditions. Supported metal catalysts may be subjected to SM and evaluated for a shift in the catalysis regime for many different reactions.

}, keywords = {heterogeneous catalysis, Oxidation, photoelectron spectroscopy, surface chemistry, surface modification}, issn = {1867-3880}, doi = {10.1002/cctc.201402979}, author = {Gopinath, Chinnakonda S. and Roy, Kanak and Nagarajan, Sankaranarayanan} } @article { ISI:000348510400004, title = {Catalyst-dependent selectivity in the relay catalytic branching cascade}, journal = {Chemistry-A European Journal}, volume = {21}, number = {6}, year = {2015}, month = {FEB}, pages = {2319-2323}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The synthesis of small organic molecules as probes for discovering new therapeutic agents has been an important aspect of chemical biology. One of the best ways to access collections of small molecules is to use various techniques in diversity-oriented synthesis (DOS). Recently, a new form of DOS, namely relay catalytic branching cascades (RCBCs), has been introduced, wherein a common type of starting material reacts with several scaffold-building agents (SBAs) to obtain structurally diverse molecular scaffolds under the influence of catalysts. Herein, the RCBC reaction of a common type of substrate with SBAs is reported to give two different types of molecular scaffolds and their formation is essentially dependent on the type of catalyst used.

}, keywords = {alkynols, cascade synthesis, chemoselectivity, diversity-oriented synthesis, Homogeneous catalysis}, issn = {0947-6539}, doi = {10.1002/chem.201405736}, author = {Bansode, Avinash H. and Shaikh, Aslam C. and Kavthe, Rahul D. and Thorat, Shridhar and Gonnade, Rajesh G. and Patil, Nitin T.} } @article { ISI:000356755500019, title = {Catalytic upgrading of citric acid to environmental friendly tri-butyl citrate plasticizer over ultra stable phosphonated Y zeolite}, journal = {Chemical Engineering Research \& Design}, volume = {98}, year = {2015}, month = {JUN}, pages = {212-219}, publisher = {INST CHEMICAL ENGINEERS}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

The catalytic synthesis of non-toxic/eco-friendly tributyl citrate (TBC) plasticizer by esterification of renewable citric acid (CA) with butanol would be completely sustainable route. In this context, catalytic performance of parent ultra stable Y (USY) and phosphonated USY catalysts were investigated for TBC synthesis. Parent USY and phosphonated USY catalysts were characterized by powder X-ray diffraction (XRD), N-2 adsorption-desorption, NH3 temperature programmed desorption (TPD), pyridine-Fourier Transform Infrared Spectroscopy (FTIR), FTIR, SEM, ICP. The influence of various process parameters such as phosphorous (P) loading (0 to 4 wt/\%), catalyst loading (5-25\%), molar ratio of CA to n-butanol (1:4 to 1:12), reaction temperature (383-423 K) and reaction time (1-5 h) have been investigated over USY catalyst with aim to maximize CA conversion and TBC yield. Amongst the studied catalysts, the 2\% (w/w) P/USY was found to be highly potential catalyst with complete CA conversion (100\%) and 93\% TBC yield. The present method of using 2\% (w/w) P/USY catalyst for the synthesis of TBC would be environmentally benign in the context of bio-renewable synthetic route, high catalytic activity, non-toxic product, long term stability and reusability of catalyst (five catalytic cycles). (c) 2015 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved,

}, keywords = {Butanol, Citric acid, heterogeneous catalysis, Plasticizer, Tributyl citrate}, issn = {0263-8762}, doi = {10.1016/j.cherd.2015.04.037}, author = {Nandiwale, Kakasaheb Y. and Gogoi, Pranjal and Bokade, Vijay V.} } @article { ISI:000361402900006, title = {Cathepsins of lepidopteran insects: aspects and prospects}, journal = {Insect Biochemistry and Molecular Biology}, volume = {64}, year = {2015}, month = {SEP}, pages = {51-59}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Molecular understanding of lepidopteran physiology has revealed that proteases consist of one of the central regulatory/reacting system for insect growth and survival. Among the various proteases, cathepsins are the most crucial cellular proteases, which play vital roles during insect development. In the present review, we have discussed various aspects of the lepidopteran insect cathepsins, emphasizing their roles in processes like development, growth, metamorphosis, apoptosis and immunity. Cathepsins are categorized into different types on the basis of their sequence diversification, leading to variation in structure and catalytic function. Cathepsins exhibit tissue and stage specific expression pattern which is fine-tuned by a delicate balance of expression, compartmentalization, zymogen activation, inhibition by protein inhibitors and degradation. The indispensability of cathepsins as cellular proteases in the above mentioned processes proposes them as novel targets for designing effective and specific insect controlling strategies. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Apoptosis, Cathepsin, Cysteine/aspartate protease, Development, Lepidoptera, Pest control, Stress response}, issn = {0965-1748}, doi = {10.1016/j.ibmb.2015.07.005}, author = {Saikhedkar, Nidhi and Summanwar, Aarohi and Joshi, Rakesh S. and Giri, Ashok P.} } @article { ISI:000357034800003, title = {Cell line development for biomanufacturing processes: recent advances and an outlook}, journal = {Biotechnology Letters}, volume = {37}, number = {8}, year = {2015}, month = {AUG}, pages = {1553-1564}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

At the core of a biomanufacturing process for recombinant proteins is the production cell line. It influences the productivity and product quality. Its characteristics also dictate process development, as the process is optimized to complement the producing cell to achieve the target productivity and quality. Advances in the past decade, from vector design to cell line screening, have greatly expanded our capability to attain producing cell lines with certain desired traits. Increasing availability of genomic and transcriptomic resources for industrially important cell lines coupled with advances in genome editing technology have opened new avenues for cell line development. These developments are poised to help biosimilar manufacturing, which requires targeting pre-defined product quality attributes, e.g., glycoform, to match the innovator{\textquoteright}s range. This review summarizes recent advances and discusses future possibilities in this area.

}, keywords = {Biomanufacturing, Biosimilars, Cell line development, CHO cells genomics, Genome editing, Transcriptomics}, issn = {0141-5492}, doi = {10.1007/s10529-015-1843-z}, author = {Le, Huong and Vishwanathan, Nandita and Jacob, Nitya M. and Gadgil, Mugdha and Hu, Wei-Shou} } @article {45931, title = {Chemically chargeable photo battery}, journal = {Journal of Physical Chemistry C}, volume = {119}, year = {2015}, month = {JUN }, pages = {14010-14016}, type = {Article}, abstract = {

Here we show a surrogate strategy for power production, wherein light is used to actuate a discharge Chemistry in the cathode of an aqueous rechargeable battery (ARB). The proposed photo battery consists of a titaninm nitride photoanode, promising. cathode:material iron(III) hexacyanoferrate(II) as the battery active species, and Na2S2O8 as the chemical charging agent The photo battery delivered negligible capacity in the dark and the capacity shot up to 77.8 mAh/g when artificially shined light, confirming that the battery chemistry is light driven. In the ambient light, the device retained 72\% of its artificial light discharge capacity with a stable cycling for more than 100 cycles. Further, an unprecedented means for charging the battery rapidly is presented using Na2S2O8 and it revitalized the battery in 30 s without any external bias. This methodology of expending a photoanode extends to a battery that is free from dissolution of active materials, irreversible structural changes, spontaneous deinsertion reactions, and safety concerns commonly encountered in the state of the art anode materials in ARBs. Apart from bringing out a sustainable way for power production, this device opens up avenues for charging the battery in the likely events of electrical input unavailability, while solving the critcial issues of longer charging time and higher charging voltage.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b02871}, author = {Thimmappa, Ravikumar and Paswan, Bhuneshwar and Gaikwad, Pramod and Devendrachari, Mruthyunjayachari Chattanahalli and Kotresh, Harish Makri Nimbegondi and Mohan, Ramsundar Rani and Alias, Joy Pattayil and Thotiyl, Musthafa Ottakam} } @article { ISI:000356801300073, title = {Chemically grafted graphite nanosheets dispersed in poly(ethylene-glycol) by gamma-radiolysis for enhanced lubrication}, journal = {RSC Advances}, volume = {5}, number = {66}, year = {2015}, month = {JUN}, pages = {53766-53775}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Graphite nanosheets (Gr-NS) dispersed in poly(ethylene-glycol) (PEG200) medium were subjected to various doses of gamma-irradiation. Hydroxyl functional groups present in PEG are chemically grafted through hydrogen bonding with hydroxyl, carbonyl and carboxylic groups of Gr-NS. The grafting process is driven by the generation of active radicals from solvent radiolysis. Chemical grafting was investigated using X-ray photoelectron spectroscopy (XPS) and Fourier transform infra-red (FTIR) spectroscopy. The results of spectroscopic studies revealed reduction in oxygen functionality of PEG-Gr-NS at higher doses of gamma-irradiation. The gamma-irradiation not only bridges the functionalities between PEG and PEG-Gr-NS but edge and basal plane defects in Gr-NS are further reduced as is evident from Raman analysis. The inter-planar sheet distance in Gr-NS is increased due to intercalated chemical grafting with PEG molecules. The chemical grafting between PEG and Gr-NS and reduction in defects enhance the tribological properties with a decrease of 26\% and 32\% for the friction coefficient and wear, respectively as compared to PEG alone. The lubrication mechanism is mediated through inter-planar weak forces when PEG is chemically grafted with Gr-NS. The electrostatic interaction of PEG with Gr-NS acts as a molecular bridge thus enhancing the sustainability of tribo-stress. Additionally, in the presence of functionalized PEG-Gr-NS tribo-contact conditions, evidence of deposited graphitic tribo-film was observed from micro-Raman spectroscopy inside the steel wear track. This film further enhanced lubrication mediated through low shear strength interlayer graphite sheets and therefore, antiwear properties were synergistically improved.

}, issn = {2046-2069}, doi = {10.1039/c5ra07528a}, author = {Gupta, Bhavana and Panda, Kalpataru and Kumar, Niranjan and Melvin, Ambrose A. and Dash, Sitaram and Tyagi, Ashok Kumar} } @article { ISI:000358250800001, title = {Chromerid genomes reveal the evolutionary path from photosynthetic algae to obligate intracellular parasites}, journal = {Elife}, volume = {4}, year = {2015}, month = {JUL}, pages = {Article Number: e06974}, publisher = {ELIFE SCIENCES PUBLICATIONS LTD}, address = {SHERATON HOUSE, CASTLE PARK, CAMBRIDGE, CB3 0AX, ENGLAND}, abstract = {

The eukaryotic phylum Apicomplexa encompasses thousands of obligate intracellular parasites of humans and animals with immense socio-economic and health impacts. We sequenced nuclear genomes of Chromera velia and Vitrella brassicaformis, free-living non-parasitic photosynthetic algae closely related to apicomplexans. Proteins from key metabolic pathways and from the endomembrane trafficking systems associated with a free-living lifestyle have been progressively and non-randomly lost during adaptation to parasitism. The free-living ancestor contained a broad repertoire of genes many of which were repurposed for parasitic processes, such as extracellular proteins, components of a motility apparatus, and DNA-and RNA-binding protein families. Based on transcriptome analyses across 36 environmental conditions, Chromera orthologs of apicomplexan invasion-related motility genes were co-regulated with genes encoding the flagellar apparatus, supporting the functional contribution of flagella to the evolution of invasion machinery. This study provides insights into how obligate parasites with diverse life strategies arose from a once free-living phototrophic marine alga.

}, issn = {2050-084X}, doi = {10.7554/eLife.06974}, author = {Woo, Yong H. and Ansari, Hifzur and Otto, Thomas D. and Klinger, Christen M. and Kolisko, Martin and Michalek, Jan and Saxena, Alka and Shanmugam, Dhanasekaran and Tayyrov, Annageldi and Veluchamy, Alaguraj and Ali, Shahjahan and Bernal, Axel and del Campo, Javier and Cihlar, Jaromir and Flegontov, Pavel and Gornik, Sebastian G. and Hajduskova, Eva and Horak, Ales and Janouskovec, Jan and Katris, Nicholas J. and Mast, Fred D. and Miranda-Saavedra, Diego and Mourier, Tobias and Naeem, Raeece and Nair, Mridul and Panigrahi, Aswini K. and Rawlings, Neil D. and Padron-Regalado, Eriko and Ramaprasad, Abhinay and Samad, Nadira and Tomcala, Ales and Wilkes, Jon and Neafsey, Daniel E. and Doerig, Christian and Bowler, Chris and Keeling, Patrick J. and Roos, David S. and Dacks, Joel B. and Templeton, Thomas J. and Waller, Ross F. and Lukes, Julius and Obornik, Miroslav and Pain, Arnab} } @article { ISI:000352745300007, title = {Cloning, expression and in silico studies of a serine protease from a marine actinomycete (Nocardiopsis sp NCIM 5124)}, journal = {Process Biochemistry}, volume = {50}, number = {3}, year = {2015}, month = {MAR}, pages = {378-387}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A serine protease (N. protease), from Nocardiopsis sp., was cloned and expressed in Escherichia coli and investigated for its potential kinetic stability. Protein expression using two vectors, pET-22b (+) and pET-39b (+) was compared based on proper folding and soluble expression of the protein. pET-39b (+) was found to be a better vector for soluble expression of this protease containing disulfide bonds. In silico studies were also carried out for N. protease. Homology modeling suggested N. protease to be a member of PA clan of proteases. The phylogenetic analysis showed relatedness of N. protease to kinetically stable proteases. Molecular docking studies performed exhibited interaction of a peptide substrate with catalytic pocket of the enzyme. High temperature MD simulations were performed on N. protease to study its unfolding behavior and comparisons were made with alpha LP. A novel approach to study {\textquoteleft}cooperativity{\textquoteright} of protein unfolding was undertaken, wherein {\textquoteleft}P{\textquoteright} value analysis based on phi and psi values of the protein was performed. Data showed sharper P value transition for alpha LP when compared to N. protease thus indicating relatively less kinetic stability of N. protease. Present study holds significance as the non-streptomycete actinomycetes group is least explored and ensures industrially important enzymes with exceptional stabilities. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Actinomycetes, Cloning and expression, Kinetic stability, Protease, Thermal simulation}, issn = {1359-5113}, doi = {10.1016/j.procbio.2014.12.025}, author = {Rohamare, Sonali and Gaikwad, Sushama M. and Jones, Dafydd and Bhavnani, Varsha and Pal, Jayanta and Sharma, Ranu and Chatterjee, Prathit} } @article { ISI:000349500400006, title = {Co-catalyzed two-stereocentered hydrolytic kinetic resolution: application to the synthesis of yashabushidiols A and B and the lactone unit of compactin and mevinolin}, journal = {Tetrahedron-Asymmetry}, volume = {26}, number = {2-3}, year = {2015}, month = {FEB}, pages = {118-123}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and efficient enantioselective synthesis of yashabushidiols A and B and the beta-hydroxy-delta-lactone moiety of compactin and mevinolin with high enantiomeric purity (98\% ee) is described starting from commercially available materials. The strategy mainly comprises of iodine-induced intramolecular electrophilic addition of a carbonate occurring in a highly diastereoselective fashion and the Co-catalyzed two-stereocentered hydrolytic kinetic resolution of a functionalized epoxide as the chiral inducing step. (C) 2014 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2014.12.006}, author = {Gadakh, Sunita K. and Sudalai, Arumugam} } @article { ISI:000350614400029, title = {Cocrystallization of 2,3-dihydroxynaphthalene with its para-, meta-, and ortho-ditoluates: insight into cocrystal formation and clues for the construction of supramolecular assemblies capable of intermolecular acyl group transfer reactivity}, journal = {Crystal Growth \& Design}, volume = {15}, number = {3}, year = {2015}, month = {MAR}, pages = {1226-1232}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

2,3-Dihydroxynaphthalene forms 2:1 cocrystals with its p-ditoluate and 1:1 cocrystals with its m-ditoluate but not with the o-ditoluate. In 2:1 cocrystals of the p-ditoluate, naphthalene diol molecules form a dimeric motif through OH...O hydrogen bonding interactions. The adjacent dimers sandwich the molecules of p-ditoluate through C-H...pi interactions. In 1:1 cocrystals of the m-ditoluate, naphthalene diol molecules generate a zigzag pattern through O-H...O hydrogen bonding interaction involving -OH of the diol and the C=O of the m-ditoluate. Intermolecular toluoyl group transfer reaction was more facile in cocrystals of the p-ditoluate as compared to cocrystals of the m-ditoluate. This difference in reactivity is consistent with the relative geometry of the electrophile (El, C-O) and the nucleophile (Nu, OH) in these cocrystals. A comparison of the cocrystallization behavior and structure of the two cocrystals with their constituents suggests that the position of the methyl group is crucial for cocrystal formation. A survey of the CSD revealed that the incidence of polymorphism and cocrystals formation decreases (number of hits) in the order para- \> ortho- \> meta- for disubstituted benzene derivatives. This suggests that compounds prone to exhibit polymorphism have more propensities to form cocrystals as compared to those that resist polymorphism. This information could be useful while selecting cocrystal formers and construction of supramolecular functional assemblies with desired properties.

}, issn = {1528-7483}, doi = {10.1021/cg501620g}, author = {Tamboli, Majid I. and Bahadur, Vir and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000355638100042, title = {Coherent fusion of water array and protonated amine in a metal-sulfate-based coordination polymer for proton conduction}, journal = {Inorganic Chemistry}, volume = {54}, number = {11}, year = {2015}, month = {JUN}, pages = {5366-5371}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new function of metal-sulfate-based co-ordination polymer (CP) for proton,conduction Was investigated through rational integration of a continuous water array and protonated amine in the coordination space of the CP. The H-bonded arrays of watet molecules along with nitrogen-rich aromatic cation (protonated melamine) facilitate proton conduction in the compound under humid conditions. Although several reports of metal-oxalate/phosphate-based CPs showing proton conduction are known, this is the first designed synthesis of a metal sulfate-based CP bearing-Water arrays functioning as a solid-state proton conductor:

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b00416}, author = {Manna, Biplab and Anothumakkool, Bihag and Desai, Aamod V. and Samanta, Partha and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article {45883, title = {Colossal increase in negative magnetization, exchange bias and coercivity in samarium chromite due to a strong coupling between Sm3+-Cr3+ spins sublattices}, journal = {Journal of Physics D-Applied Physics}, volume = {48}, year = {2015}, month = {JAN }, pages = {025004}, type = {Article}, abstract = {

We report giant temperature dependent negative magnetization (magnetization reversal) along with a large exchange bias and large coercivity in SmCrO3. The static magnetization measurements show the negative magnetization below similar to 192 K, due to competition between the external field, thermal activation energy and antiparallel Sm3+-Cr3+ spin interaction. At further lower temperatures, Sm3+ spins show an increased alignment due to the internal induced field of Cr3+ spins with minimum magnetization similar to - 0.037 emu g(-1). The temperature dependent exchange bias shows non-monotonic behavior. At 35 K, the exchange bias ceases to exist due to the orientation of Sm3+ moments with respect to canted Cr3+ moments. The crossover temperature decreases from similar to 191 K at 100 Oe to similar to 153 K at 250 Oe. The training effect further confirms the exchange bias in SmCrO3. The dynamic magnetization measurements exhibit anomalies around spin reorientation transition (T-SR similar to 34 K) and Neel transition (T-N similar to 192 K) which is consistent with static measurement and no frequency dependence was observed. The room temperature Raman spectra of SmCrO3 show peaks at similar to 364, similar to 375 and similar to 456 cm(-1) suggesting O-Cr-O bending modes within the octahedral.

}, keywords = {exchange bias, multiferroics etc, negative magnetization, samarium chromite, spin reorientation}, issn = {0022-3727}, doi = {10.1088/0022-3727/48/2/025004}, author = {Gupta, Preeti and Bhargava, Richa and Poddar, Pankaj} } @article { ISI:000363152800005, title = {Core-shell nanoparticles: synthesis and applications in catalysis and electrocatalysis}, journal = {Chemical Society Reviews}, volume = {44}, number = {21}, year = {2015}, month = {AUG}, pages = {7540-7590}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Core-shell nanoparticles (CSNs) are a class of nanostructured materials that have recently received increased attention owing to their interesting properties and broad range of applications in catalysis, biology, materials chemistry and sensors. By rationally tuning the cores as well as the shells of such materials, a range of core-shell nanoparticles can be produced with tailorable properties that can play important roles in various catalytic processes and offer sustainable solutions to current energy problems. Various synthetic methods for preparing different classes of CSNs, including the Stober method, solvothermal method, one-pot synthetic method involving surfactants, etc., are briefly mentioned here. The roles of various classes of CSNs are exemplified for both catalytic and electrocatalytic applications, including oxidation, reduction, coupling reactions, etc.

}, issn = {0306-0012}, doi = {10.1039/c5cs00343a}, author = {Gawande, Manoj B. and Goswami, Anandarup and Asefa, Tewodros and Guo, Huizhang and Biradar, Ankush V. and Peng, Dong-Liang and Zboril, Radek and Varma, Rajender S.} } @article { ISI:000364509100013, title = {Crystal structures of the pyrazinamide-p-aminobenzoic acid (1/1) cocrystal and the transamidation reaction product 4-(pyrazine-2-carboxamido)-benzoic acid in the molten state}, journal = {Acta Crystallographica Section C-Structural Chemistry}, volume = {71}, number = {11}, year = {2015}, month = {NOV}, pages = {1010-U276}, publisher = {INT UNION CRYSTALLOGRAPHY}, address = {2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND}, abstract = {

The synthesis of pharmaceutical cocrystals is a strategy to enhance the performance of active pharmaceutical ingredients (APIs) without affecting their therapeutic efficiency. The 1: 1 pharmaceutical cocrystal of the antituberculosis drug pyrazinamide (PZA) and the cocrystal former p-aminobenzoic acid (p-ABA), C7H7NO2- C5H5N3O, (1), was synthesized successfully and characterized by relevant solid-state characterization methods. The cocrystal crystallizes in the monoclinic space group P21/n containing one molecule of each component. Both molecules associate via intermolecular O-H center dot center dot center dot O and NH center dot center dot center dot O hydrogen bonds [O center dot center dot center dot O = 2.6102 (15)angstrom and O-H center dot center dot center dot O = 168.3 (19)degrees; N center dot center dot center dot O = 2.9259 (18) angstrom and N-H center dot center dot center dot O = 167.7 (16)degrees] to generate a dimeric acidamide synthon. Neighbouring dimers are linked centrosymmetrically through N-H center dot center dot center dot O interactions [N center dot center dot center dot O = 3.1201 (18) angstrom and N-H center dot center dot center dot O = 136.9 (14)degrees] to form a tetrameric assembly supplemented by C-H center dot center dot center dot N interactions [C center dot center dot center dot N = 3.5277 (19) angstrom and C-H center dot center dot center dot N = 147 degrees]. Linking of these tetrameric assemblies through N-H center dot center dot center dot O [N center dot center dot center dot O = 3.3026 (19) angstrom and N-H center dot center dot center dot O = 143.1 (17)degrees], NH center dot center dot center dot N [N center dot center dot center dot N = 3.221 (2) angstrom and N-H center dot center dot center dot N = 177.9 (17)degrees] and C-H center dot center dot center dot O [C center dot center dot center dot O = 3.5354 (18) angstrom and C-H center dot center dot center dot O = 152 degrees] interactions creates the twodimensional packing. Recrystallization of the cocrystals from the molten state revealed the formation of 4-(pyrazine-2-carboxamido) benzoic acid, C12H9N3O3, (2), through a transamidation reaction between PZA and p-ABA. Carboxamide (2) crystallizes in the triclinic space group P1 with one molecule in the asymmetric unit. Molecules of (2) form a centrosymmetric dimeric homosynthon through an acid-acid O-H center dot center dot center dot O hydrogen bond [O center dot center dot center dot O = 2.666 (3) angstrom and O-H center dot center dot center dot O = 178 (4) degrees]. Neighbouring assemblies are connected centrosymmetrically via a C-H center dot center dot center dot N interaction [C center dot center dot center dot N = 3.365 (3) angstrom and C-H center dot center dot center dot N = 142 degrees] engaging the pyrazine groups to generate a linear chain. Adjacent chains are connected loosely via C-H center dot center dot center dot O interactions [C center dot center dot center dot O = 3.212 (3) angstrom and CH center dot center dot center dot O = 149 degrees] to generate a two-dimensional sheet structure. Closely associated two-dimensional sheets in both compounds are stacked via aromatic pi-stacking interactions engaging the pyrazine and benzene rings to create a threedimensional multi-stack structure.

}, keywords = {acid-amide hetero-synthon, active pharmaceutical ingredient (API), cocrystal, crystal structure, hydrogen bonding, molten-state reaction, powder diffraction, transamidation reaction}, issn = {2053-2296}, doi = {10.1107/S2053229615019828}, author = {Thorat, Shridhar H. and Sahu, Sanjay Kumar and Gonnade, Rajesh G.} } @article { ISI:000355762900032, title = {Cytostatic ruthenium(II)-platinum(II) bis(terpyridyl) anticancer complex that blocks entry into sphase by up-regulating p27(KIP1)}, journal = {Chemistry-A European Journal}, volume = {21}, number = {25}, year = {2015}, month = {JUN}, pages = {9185-9197}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Cytostatic agents that interfere with specific cellular components to prevent cancer cell growth offer an attractive alternative, or complement, to traditional cytotoxic chemotherapy. Here, we describe the synthesis and characterization of a new binuclear Ru-II-Pt-II complex [Ru(tpy)(tpypma)Pt(Cl)(DMSO)](3+) (tpy=2,2:6,2-terpyridine and tpypma=4-([2,2:6,2-terpyridine]-4-yl)-N-(pyridin-2-ylmethyl)aniline), VR54, which employs the extended terpyridine tpypma ligand to link the two metal centres. In cell-free conditions, VR54 binds DNA by non-intercalative reversible mechanisms (K-b=1.3x10(5)M(-1)) and does not irreversibly bind guanosine. Cellular studies reveal that VR54 suppresses proliferation of A2780 ovarian cancer cells with no cross-resistance in the A2780CIS cisplatin-resistant cell line. Through the preparation of mononuclear Ru-II and Pt-II structural derivatives it was determined that both metal centres are required for this anti-proliferative activity. In stark contrast to cisplatin, VR54 neither activates the DNA-damage response network nor induces significant levels of cell death. Instead, VR54 is cytostatic and inhibits cell proliferation by up-regulating the cyclin-dependent kinase inhibitor p27(KIP1) and inhibiting retinoblastoma protein phosphorylation, which blocks entry into Sphase and results in G1 cell cycle arrest. Thus, VR54 inhibits cancer cell growth by a gain of function at the G1 restriction point. This is the first metal-coordination compound to demonstrate such activity.

}, keywords = {antitumor agents, cytostatic, p27KIP1, platinum drugs, ruthenium terpyridine}, issn = {0947-6539}, doi = {10.1002/chem.201500561}, author = {Ramu, Vadde and Gill, Martin R. and Jarman, Paul J. and Turton, David and Thomas, Jim A. and Das, Amitava and Smythe, Carl} } @article { ISI:000345845400022, title = {Development of a mathematical model for animal cell culture without pH control and its application for evaluation of clone screening outcomes in shake flask culture}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {90}, number = {1}, year = {2015}, month = {JAN}, pages = {166-175}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

BACKGROUNDCurrently used mathematical models for animal cell growth and metabolism cannot simulate changing culture pH and its effect on metabolism, and hence cannot accurately model cultures lacking pH control. Animal cell cultures are however widely cultured at a small scale without pH control, e.g. for clone screening during cell line development. A mathematical model for animal cell growth without pH control is developed and applied to design optimal conditions for clone screening without pH control. RESULTSThe mathematical model successfully simulates published data for suspension CHO culture in shake flasks. It is further used to simulate clonal heterogeneity and predict relative clone performance in different culture conditions. Predictions of correlation coefficients between clone titers in batch and fed batch screening conditions and pH controlled fed batch agree with published values. Fed batch mode is predicted to give better screening outcomes than batch, but only for clones able to consume lactate. Simulations reveal that culture duration of the screening assay has a large effect on the screening outcome and optimal durations differ based on the ability or inability of clones to consume lactate. CONCLUSIONThis study presents a tool for optimal design of screening assay for clone selection without pH control. (c) 2014 Society of Chemical Industry

}, keywords = {clone screening, clone selection, culture duration, high throughput screening, lactate consumption, mathematical model with pH effects, pH control for animal cell culture}, issn = {0268-2575}, doi = {10.1002/jctb.4302}, author = {Gadgil, Mugdha} } @article { ISI:000358837400009, title = {Development of diagnostic fragment ion library for glycated peptides of human serum albumin: targeted quantification in prediabetic, diabetic, and microalbuminuria plasma by parallel reaction monitoring, SWATH, and MSE}, journal = {Molecular \& Cellular Proteomics}, volume = {14}, number = {8}, year = {2015}, month = {AUG}, pages = {2150-2159}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

Human serum albumin is one of the most abundant plasma proteins that readily undergoes glycation, thus glycated albumin has been suggested as an additional marker for monitoring glycemic status. Hitherto, only Amadori-modified peptides of albumin were quantified. In this study, we report the construction of fragment ion library for Amadori-modified lysine (AML), N(epsilon)-(carboxymethyl) lysine (CML)-, and N(epsilon)-(carboxyethyl) lysine (CEL)-modified peptides of the corresponding synthetically modified albumin using high resolution accurate mass spectrometry (HR/AM). The glycated peptides were manually inspected and validated for their modification. Further, the fragment ion library was used for quantification of glycated peptides of albumin in the context of diabetes. Targeted Sequential Window Acquisition of all THeoretical Mass Spectra (SWATH) analysis in pooled plasma samples of control, prediabetes, diabetes, and microalbuminuria, has led to identification and quantification of 13 glycated peptides comprised of four AML, seven CML, and two CEL modifications, representing nine lysine sites of albumin. Five lysine sites namely K549, K438, K490, K88, and K375, were observed to be highly sensitive for glycation modification as their respective m/z showed maximum fold change and had both AML and CML modifications. Thus, peptides involving these lysine sites could be potential novel markers to assess the degree of glycation in diabetes.

}, issn = {1535-9476}, doi = {10.1074/mcp.M115.050518}, author = {Korwar, Arvind M. and Vannuruswamy, Garikapati and Jagadeeshaprasad, Mashanipalya G. and Jayaramaiah, Ramesha H. and Bhat, Shweta and Regin, Bhaskaran S. and Ramaswamy, Sureshkumar and Giri, Ashok P. and Mohan, Viswanathan and Balasubramanyam, Muthuswamy and Kulkarni, Mahesh J.} } @article {42432, title = {Diastereoselective synthesis of cyclopentanone-fused spirooxindoles by N-heterocyclic carbene-catalyzed homoenolate annulation with isatilidenes}, journal = {Organic Chemistry Frontiers}, volume = {2}, year = {2015}, month = {SEP}, pages = {1584-1588}, abstract = {

N-Heterocyclic carbene (NHC)-catalyzed formal [3 + 2] annulation of α,β-unsaturated aldehydes with N-substituted isatilidenes resulting in the diastereoselective synthesis of cyclopentanone-fused spirooxindoles is demonstrated. Mechanistically, the reaction proceeds via the generation of homoenolate equivalent intermediates from NHC and enals, which on interception with isatilidenes afford spiroheterocyclic compounds bearing an all-carbon quaternary spiro-center in moderate to good yields and generally with high diastereoselectivity. Moreover, the functionalization of the spirooxindoles as well as the initial studies on the enantioselective version of this reaction are presented.

}, doi = {10.1039/C5QO00242G}, author = {Patra, Atanu and Bhunia, Anup and Yetra, Santhivardhana Reddy and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000357468200016, title = {Discovery of rimonabant and its potential analogues as anti-TB drug candidates}, journal = {Medicinal Chemistry Research}, volume = {24}, number = {7}, year = {2015}, month = {JUL}, pages = {2960-2971}, publisher = {SPRINGER BIRKHAUSER}, address = {233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USA}, abstract = {

Rimonabant and its analogues have been synthesized in moderate to good yields using a simple synthetic route. All the newly synthesized compounds were subjected to in vitro screening against M. tuberculosis and M. smegmatis. The most potent analogue JMG-14 exhibits MIC value of 3.13 compared to 3.25 and 50 A mu g/ml for ethambutol and pyrazinamide, respectively. The molecular docking reveals that pyrazole ring, number and position of halogen atoms play a crucial role in deciding interactions with MTCYP-121. These findings open up a new avenue in the search of potent anti-TB drugs with rimonabant and its novel analogue JMG-14 as lead molecules.

}, keywords = {Diaryl pyrazoles, H37Rv, MTCYP-121, Mycobacterium tuberculosis, Rimonabant, tuberculosis}, issn = {1054-2523}, doi = {10.1007/s00044-015-1346-4}, author = {Gajbhiye, J. M. and More, Namita A. and Patil, Manoj D. and Ummanni, R. and Kotapalli, S. S. and Yogeeswari, P. and Sriram, D. and Masand, Vijay H.} } @article { ISI:000365203000020, title = {Doxorubicin-conjugated beta-NaYF4:Gd3+/Tb3+ multifunctional, phosphor nanorods: a multimodal, luminescent, magnetic probe for simultaneous optical and magnetic resonance imaging and an excellent pH-triggered anti-cancer drug delivery nanovehicle}, journal = {Nanoscale}, volume = {7}, number = {46}, year = {2015}, month = {OCT}, pages = {19501-19518}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we report the fabrication of a multifunctional nanoprobe based on highly monodispersed, optically and magnetically active, biocompatible, PEI-functionalized, highly crystalline beta-NaYF4:Gd3+/Tb3+ nanorods as an excellent multi-modal optical/magnetic imaging tool and a pH-triggered intracellular drug delivery nanovehicle. The static and dynamic photoluminescence spectroscopy showed the presence of sharp emission peaks, with long lifetimes (similar to 3.5 milliseconds), suitable for optical imaging. The static magnetic susceptibility measurements at room temperature showed a strong paramagnetic signal (chi similar to 3.8 x 10(-5) emu g(-1) Oe(-1)). The nuclear magnetic resonance (NMR) measurements showed fair T-1 relaxivity (r(1) = 1.14 s(-1) mM(-1)) and magnetic resonance imaging gave enhanced T-1-weighted MRI images with increased concentrations of beta-NaYF4:Gd3+/Tb3+ making them suitable for simultaneous magnetic resonance imaging. In addition, an anticancer drug, doxorubicin (DOX) was conjugated to the amine-functionalized beta-NaYF4:Gd3+/Tb3+ nanorods via pH-sensitive hydrazone bond linkages enabling them as a pH-triggered, site-specific drug delivery nanovehicle for DOX release inside tumor cells. A comparison between in vitro DOX release studies undertaken in normal physiological (pH 7.4) and acidic (pH 5.0) environments showed an enhanced DOX dissociation (similar to 80\%) at pH 5.0. The multifunctional material was also applied as an optical probe to confirm the conjugation of DOX and to monitor DOX release via a fluorescence resonance energy transfer (FRET) mechanism. The DOX-conjugated beta-NaYF4:Gd3+/Tb3+ nanorods exhibited a cytotoxic effect on MCF-7 breast cancer cells and their uptake by MCF-7 cells was demonstrated using confocal laser scanning microscopy and flow cytometry. The comparative cellular uptakes of free DOX and DOX-conjugated beta-NaYF4:Gd3+/Tb3+ nanorods were studied in tumor microenvironment conditions (pH 6.5) using confocal imaging, which showed an increased uptake of DOX-conjugated beta-NaYF4:Gd3+/Tb3+ nanorods. Thus, DOX-conjugated beta-NaYF4:Get(3+)/Tb3+ nanorods combining pH-triggered drug delivery, efficient luminescence and paramagnetic properties are promising for a potential multifunctional platform for cancer therapy, biodetection, and optical and magnetic resonance imaging.

}, issn = {2040-3364}, doi = {10.1039/c5nr04473a}, author = {Padhye, Preeti and Alam, Aftab and Ghorai, Suvankar and Chattopadhyay, Sarnit and Poddar, Pankaj} } @article { ISI:000368141200024, title = {Drug-drug molecular salt hydrate of an anticancer drug gefitinib and a loop diuretic drug furosemide: an alternative for multidrug treatment}, journal = {Journal of Pharmaceutical Sciences}, volume = {104}, number = {12}, year = {2015}, month = {DEC}, pages = {4207-4216}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A 1:1 monohydrate salt containing gefitinib, an orally administrated chemotherapy treatment for lung and breast cancers and furosemide, a loop diuretic drug, commonly used in the treatment of hypertension and edema, has been prepared. The molecular salt crystallized in triclinic P-1 space group. The CO bond lengths (similar to 1.26 angstrom) in the COOH group show that proton transfer has occurred from furosemide to morpholine moiety of the gefitinib suggesting cocrystal to be ionic. The morpholine moiety of the gefitinib showed significant conformational change because of its involvement in conformation dictating the strong N-H center dot center dot center dot O hydrogen bonding interaction. The strong hydrogen bonding interaction between gefitinib and furosemide places their benzene rings in stacking mode to facilitate the generation of pi-stack dimers. The neighboring dimers are bridged to each other via water molecule through N-H center dot center dot center dot O, C-H center dot center dot center dot O, O-H center dot center dot center dot N, and O-H center dot center dot center dot O interactions. The remarkable stability of the salt hydrate could be attributed to the strong hydrogen bonding interactions in the crystal structure. Interestingly, release of water from the lattice at 140 degrees C produced new anhydrous salt that has better solubility and dissolution rate than salt hydrate. The drug-drug molecular salt may have some bearing on the treatment of patient suffering from anticancer and hypertension. (C) 2015 Wiley Periodicals, Inc. and the American Pharmacists Association

}, keywords = {cancer chemotherapy, cocrystals, crystal engineering, crystal structure, dissolution rate, hydrate, phase transition, solubility, stability, thermal analysis}, issn = {0022-3549}, doi = {10.1002/jps.24651}, author = {Thorat, Shridhar H. and Sahu, Sanjay Kumar and Patwadkar, Manjusha V. and Badiger, Manohar V. and Gonnade, Rajesh G.} } @article { ISI:000360889600001, title = {Ecological turmoil in evolutionary dynamics of plant-insect interactions: defense to offence}, journal = {Planta}, volume = {242}, number = {4}, year = {2015}, month = {OCT}, pages = {761-771}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Available history manifests contemporary diversity that exists in plant-insect interactions. A radical thinking is necessary for developing strategies that can co-opt natural insect-plant mutualism, ecology and environmental safety for crop protection since current agricultural practices can reduce species richness and evenness. The global environmental changes, such as increased temperature, CO (2) and ozone levels, biological invasions, land-use change and habitat fragmentation together play a significant role in re-shaping the plant-insect multi-trophic interactions. Diverse natural products need to be studied and explored for their biological functions as insect pest control agents. In order to assure the success of an integrated pest management strategy, human activities need to be harmonized to minimize the global climate changes. Plant-insect interaction is one of the most primitive and co-evolved associations, often influenced by surrounding changes. In this review, we account the persistence and evolution of plant-insect interactions, with particular focus on the effect of climate change and human interference on these interactions. Plants and insects have been maintaining their existence through a mutual service-resource relationship while defending themselves. We provide a comprehensive catalog of various defense strategies employed by the plants and/or insects. Furthermore, several important factors such as accelerated diversification, imbalance in the mutualism, and chemical arms race between plants and insects as indirect consequences of human practices are highlighted. Inappropriate implementation of several modern agricultural practices has resulted in (i) endangered mutualisms, (ii) pest status and resistance in insects and (iii) ecological instability. Moreover, altered environmental conditions eventually triggered the resetting of plant-insect interactions. Hence, multitrophic approaches that can harmonize human activities and minimize their interference in native plant-insect interactions are needed to maintain natural balance between the existence of plants and insects.

}, keywords = {Climatic change, Co-evolution, Ecosystem, Human interference, Plant-insect interaction}, issn = {0032-0935}, doi = {10.1007/s00425-015-2364-7}, author = {Mishra, Manasi and Lomate, Purushottam R. and Joshi, Rakesh S. and Punekar, Sachin A. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000347609400069, title = {Efficient Ag-nanoparticle embedded semi-IPN hydrogel for catalytic applications}, journal = {RSC Advances}, volume = {5}, number = {10}, year = {2015}, month = {DEC}, pages = {7567-7574}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Silver nanoparticle embedded semi-IPN hydrogels based on a combination of poly(acrylamide) and poly(aspartic acid) were synthesized. These semi-IPN hydrogel networks can potentially serve as micro or nano reactors for entrapment of metal nanoparticles. Current methodology allows us to entrap metal nanoparticles throughout hydrogel networks via poly(aspartic acid) chains which are dispersed homogeneously in the gel matrix. The Ag-NPs were characterized by UV-vis absorption spectroscopy, transmission electronic microscopy (TEM), X-ray diffraction (XRD) and energy dispersive X-ray analysis (EDAX). The Ag embedded hydrogels catalyze the reduction of 4-nitrophenol to 4-aminophenol in the presence of NaBH4 very efficiently at room temperature with good recyclability upto 3 cycles.

}, issn = {2046-2069}, doi = {10.1039/c4ra14594a}, author = {Patwadkar, Manjusha V. and Gopinath, Chinnakonda S. and Badiger, Manohar V.} } @article { ISI:000357587500011, title = {Efficient shoots regeneration and genetic transformation of bacopa monniera}, journal = {Physiology and Molecular Biology of Plants}, volume = {21}, number = {2}, year = {2015}, month = {APR}, pages = {261-267}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Bacopa monniera is an important source of metabolites with pharmaceutical value. It has been regarded as a valuable medicinal plant and its entire commercial requirement is met from wild natural population. Recently, metabolic engineering has emerged as an important solution for sustained supply of assured and quality raw material for the production of active principles. Present report describes efficient in vitro multiplication and transformation method for geneticmanipulation of this species. MS medium supplemented with 2 mgl(-1) BA and 0.2 mgl(-1) IAA was found optimum for maximum shoot regeneration (98.33 \%) from in vitro leaves with 2-3 longitudinal cuts. Agrobacterium tumefaciens-mediated transformation method was used for generating transgenic B. monniera plants. Putative transformants were confirmed by GUS assay and PCR based confirmation of hptII gene. DNA blot analysis showed single copy insertion of transgene cassette. An average of 87.5 \% of the regenerated shoots were found PCR positive for hptII gene and GUS activity was detected in leaves of transgenic shoots at a frequency of 82.5 \% The efficient multiple shoots regeneration system described herein may help in mass production of B. monniera plant. Also, the high frequency transformation protocol described here can be used for genetic engineering of B. monniera for enhancement of its pharmaceutically important metabolites.

}, issn = {0971-5894}, doi = {10.1007/s12298-015-0290-6}, author = {Kumari, Uma and Vishwakarma, Rishi K. and Gupta, Neha and Ruby and Shirgurkar, M. V. and Khan, Bashir Mohammad} } @article { ISI:000359393500052, title = {Enantiospecific synthesis of both enantiomers of the longtailed mealybug pheromone and their evaluation in a new zealand vineyard}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {15}, year = {2015}, month = {AUG}, pages = {7785-7789}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The irregular monoterpenoid sex pheromone of Pseudococcus longispinus and its enantiomer were prepared from the corresponding bornyl acetates. The use of readily accessible chiral starting materials and lactone lactone rearrangement are the highlights of the present synthesis. The biological activities of the two enantiomers and racemic mixture were tested in a New Zealand vineyard. The (S)-(+)-enantiomer was significantly more attractive to P. longispinus males than the racemic mixture or the (R)-(-)-enantiomer.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b01131}, author = {Ramesh, Remya and Bell, Vaughn and Twidle, Andrew M. and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000362499200027, title = {Engineering proteins for thermostability with iRDP web server}, journal = {Plos One}, volume = {10}, number = {10}, year = {2015}, month = {OCT}, pages = {e0139486}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Engineering protein molecules with desired structure and biological functions has been an elusive goal. Development of industrially viable proteins with improved properties such as stability, catalytic activity and altered specificity by modifying the structure of an existing protein has widely been targeted through rational protein engineering. Although a range of factors contributing to thermal stability have been identified and widely researched, the in silico implementation of these as strategies directed towards enhancement of protein stability has not yet been explored extensively. A wide range of structural analysis tools is currently available for in silico protein engineering. However these tools concentrate on only a limited number of factors or individual protein structures, resulting in cumbersome and time-consuming analysis. The iRDP web server presented here provides a unified platform comprising of iCAPS, iStability and iMutants modules. Each module addresses different facets of effective rational engineering of proteins aiming towards enhanced stability. While iCAPS aids in selection of target protein based on factors contributing to structural stability, iStability uniquely offers in silico implementation of known thermostabilization strategies in proteins for identification and stability prediction of potential stabilizing mutation sites. iMutants aims to assess mutants based on changes in local interaction network and degree of residue conservation at the mutation sites. Each module was validated using an extensively diverse dataset. The server is freely accessible at http://irdp.ncl.res.in and has no login requirements.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0139486}, author = {Panigrahi, Priyabrata and Sule, Manas and Ghanate, Avinash and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000370057200011, title = {Enhanced electron field emission from NiCo2O4 nanosheet arrays}, journal = {Materials Research Express}, volume = {2}, number = {9}, year = {2015}, month = {SEP}, pages = {095011}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Electron emission properties of electrodeposited spinel NiCo2O4 nanosheet arrays grown on Ni foam have been studied. The work function of NiCo2O4 was calculated by density functional theory using the plane-wave basis set and used to estimate the field enhancement factor. The NiCo2O4 nanosheet arrays exhibited a low turn-on field of 1.86 V mu m(-1) at 1 mu A cm(-2) and current density of 686 mu A cm(-2) at 3.2 V mu m(-1), with field enhancement factor beta = 1460 and good field emission current stability. The field emission properties of the NiCo2O4 nanosheet arrays showed enhanced performance compared to chemically prepared NiCo2O4 nanosheets. Hence, the nanosheet arrays have great potential as robust high performance vertical structure electron emitters for future flat panel displays and vacuum electronic device applications.

}, keywords = {Density functional theory, field emission, nanosheets, NiCo2O4, spinel}, issn = {2053-1591}, doi = {10.1088/2053-1591/2/9/095011}, author = {Naik, Kusha Kumar and Khare, Ruchita T. and Gelamo, Rogerio V. and More, Mahendra A. and Thapa, Ranjit and Late, Dattatray J. and Rout, Chandra Sekhar} } @article { ISI:000361832600067, title = {Enhanced field emission of plasma treated multilayer graphene}, journal = {Applied Physics Letters}, volume = {107}, number = {12}, year = {2015}, month = {SEP}, pages = {123503}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

Electron emission properties of multilayer graphene (MLG) prepared by a facile exfoliation technique have been studied. Effect of CO2 Ar, N-2, plasma treatment was studied using Raman spectroscopy and investigated for field emission based application. The CO2 plasma treated multilayer graphene shows an enhanced field emission behavior with a low turn on field of 0.18 V/mu m and high emission current density of 1.89 mA/cm(2) at an applied field of 0.35 V/mu m. Further the plasma treated MLG exhibits excellent current stability at a lower and higher emission current value. (C) 2015 AIP Publishing LLC.

}, issn = {0003-6951}, doi = {10.1063/1.4931626}, author = {Khare, Ruchita T. and Gelamo, Rogerio V. and More, Mahendra A. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article { ISI:000350191000002, title = {Enhancing efficiency of perovskite solar cell via surface microstructuring: superior grain growth and light harvesting effect}, journal = {Solar Energy}, volume = {112}, year = {2015}, month = {FEB}, pages = {12-19}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We have introduced a novel approach to enhance the perovskite solar cell efficiency by controlling the grain growth and light harvesting properties of perovskite crystallites. Instead of using a mesoporous TiO2 layer, we have modified the surface microstructuring of the TiO2 film by dispensing nano assembled TiO2 submicron structures (nanobeads, NBs) on TiO2 compact layer. With this new approach solar cell efficiency was improved significantly through an increase in both J(sc) and V-oc. This high efficiency is attributed to crystallite size of the perovskite phase. These also act as light scattering centers giving higher current density and reduced recombination effects giving higher open circuit voltage. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Grain growth, Light harvesting, Perovskite solar cells, TiO2 nanobeads}, issn = {0038-092X}, doi = {10.1016/j.solener.2014.11.016}, author = {Tathavadekar, Mukta C. and Agarkar, Shruti A. and Game, Onkar S. and Bansode, Umesh P. and Kulkarni, Sneha A. and Mhaisalkar, Subodh G. and Ogale, Satishchandra B.} } @article { ISI:000358761200004, title = {Expression of stable reference genes and SPINDLY gene in response to gibberellic acid application at different stages of grapevine development}, journal = {Biologia Plantarum}, volume = {59}, number = {3}, year = {2015}, month = {SEP}, pages = {436-444}, publisher = {ACAD SCIENCES CZECH REPUBLIC, INST EXPERIMENTAL BOTANY}, address = {ROZVOJOVA 263, PRAHA 6, CZ-165 02, CZECH REPUBLIC}, abstract = {

Gibberellic acid (GA(3)) is widely used at different stages of berry development, and to understand the molecular mechanism of its action requires identification of stable reference genes. We sprayed grapevine (Vitis vinifera L.) cv. Thompson Seedless with GA(3) at rachis stage for rachis elongation, at flower cluster stage for flower thinning, and at 3 - 4 mm berry stage for berry elongation. Tissue samples were collected at different time points after GA(3) application. The expression of 10 candidate reference genes was analyzed using 4 different algorithms to assess their suitability for real time-PCR data normalization. Based on the overall ranking, PP2A, Sutra, and SAND were identified as the most stably expressed genes across all samples. With regard to different stages, tubulin, EF1 alpha, and UBC were the most stable genes during rachis elongation; PP2A, SAND, and Sutra were the most suitable at the flower cluster and berry stages. The expression of GA signaling gene SPINDLY (VvSpy) was analyzed to validate the stable reference genes. After the GA(3) application, the expression of VvSpy was reduced at the rachis stage but did not change at the flower cluster and berry stages. The expression profile of VvSpy was comparable when two or three reference genes were used for data normalization.

}, keywords = {developmental stages, Vitis vinifera}, issn = {0006-3134}, doi = {10.1007/s10535-015-0521-2}, author = {Upadhyay, A. and Jogaiah, S. and Maske, S. R. and Kadoo, Narendra Y. and Gupta, V. S.} } @article { ISI:000359867300004, title = {Extrusion film casting of long chain branched polypropylene}, journal = {Polymer Engineering and Science}, volume = {55}, number = {9}, year = {2015}, month = {SEP}, pages = {1977-1987}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Extrusion film casting (EFC) is an important melt processing operation which is extensively used to make polypropylene (PP) films. Linear PP shows significant amount of necking and draw resonance during EFC. One of the ways to reduce necking is to introduce long chain branches (LCB) on the polymer backbone. The long branches impart extensional strain hardening behavior thereby stabilizing the melt flow. In this work, we investigate the influence of long chain branching in polypropylene on the extent of necking in the EFC process. Laboratory scale EFC experiments were performed on homopolymer PP of linear and long chain branched architectures. Simulations of the EFC process were carried out using the one-dimensional flow model of Silagy et al., Polym. Eng. Sci.,36, 2614 (1996) into which we incorporate two different multi-mode molecular constitutive equations namely, the eXtended Pom-Pom{\textquoteright} equation (XPP, for long chain branched PP) and the Rolie-Poly{\textquoteright} equation (RP-S, for linear PP). Our experimental data confirm that presence of long chain branching in PP reduces the extent of necking and our numerical predictions show qualitative agreement with experimental data, thereby elucidating the role of chain architecture on the extent of necking. POLYM. ENG. SCI., 55:1977-1987, 2015. (c) 2014 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.24039}, author = {Chikhalikar, Kalyani and Banik, Sourya and Azad, Lal Busher and Jadhav, Kishor and Mahajan, Sunil and Ahmad, Zubair and Kulkarni, Surendra and Gupta, Surendra and Doshi, Pankaj and Pol, Harshawardhan and Lele, Ashish K.} } @article { ISI:000353753200006, title = {Facile gamma radiolytic methodology for TiO2-rGO synthesis: effect on photo-catalytic H-2 evolution}, journal = {International Journal of Hydrogen Energy}, volume = {40}, number = {17}, year = {2015}, month = {MAY}, pages = {5815-5823}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

TiO2 (P25) decorated reduced graphene oxide (rGO) is synthesized by gamma-radiolytic technique using water-ethanol solvent medium. Visible light absorpdon was confirmed by UV-Visible spectroscopy. Photoluminescence (PL) study revealed a decline in electron-hole recombination rate signalled by a sharp fall in luminescence of TiO2. Under such scenario, electron transfer from TiO2 conduction band to the conjugated sheet becomes a preferred pathway in the presence of rGO, which is further confirmed by photocurrent measurement. TiO2 -rGO composite with 1 wt. \% rGO was found to be the best composition in terms of visible light absorption, while retaining TiO2 crystallinity. Transmission electron microscopy and Raman spectroscopic studies confirmed the coating of rGO sheet with TiO2 nanoparticles. TiO2 -rGO was found to show about 150 times higher photocatalytic H-2 generation under 250 W UV-Visible light irradiation than pristine TiO2. In addition to this, TiO2 -rGO composite shows hydrogen production yield of 35 mu mol/h.g under visible light (lambda = 400 nm) irradiation. Thus gamma-radiolysis can be considered to be a viable technique, which helps in synthesizing photocatalytically active nanocomposite with high H-2 evolution rate. In the light of these interesting aspects, a detail investigation is carried out to study the effect of rGO concentration and illumination time on photocatalytic yield. Copyright (C) 2015, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {gamma-radiolysis, H-2 production, Photocatalysis, Reduced graphene oxide, TiO2}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2015.02.102}, author = {Gupta, Bhavana and Melvin, Ambrose A. and Matthews, Tom and Dhara, S. and Dash, Sitaram and Tyagi, A. K.} } @article { ISI:000363916400006, title = {Feasibility of ionization-mediated pathway for ultraviolet-induced melanin damage}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {42}, year = {2015}, month = {OCT}, pages = {13288-13293}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Melanin is the pigment found in human skin that is responsible for both photoprotection and photodamage. Recently there have been reports that greater photodamage of DNA occurs when cells containing melanin are irradiated with ultraviolet (UV) radiation, thus suggesting that the photoproducts of melanin cause DNA damage. Photoionization processes have also been implicated in the photodegradation of melanin. However, not much is known about the oxidation potential of melanin and its monomers. In this work we calculate the ionization energies of monomers, dimers, and few oligomers of eumelanin to estimate the threshold energy required for the ionization of eumelanin. We find that this threshold is within the UV-B region for eumelanin. We also look at the charge and spin distributions of the various ionized states of the monomers that are formed to understand which of the ionization channels might favor monomerization from a covalent dimer.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b08750}, author = {Mandal, Mukunda and Das, Tamal and Grewal, Baljinder K. and Ghosh, Debashree} } @article { ISI:000351969900008, title = {First naphthosemiquinone complex of K+ with vitamin K3 analog: experiment and density functional theory}, journal = {Journal of Molecular Structure}, volume = {1088}, year = {2015}, month = {MAY}, pages = {56-63}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Synthesis and characterization of potassium complex of 2-hydroxy-3-methyl-1,4-naphthoquinone (phthiocol), the vitamin K3 analog, has been carried out using FT-IR, UV-Vis, H-1 and C-13 NMR, EPR, cyclic voltammetry and single crystal X-ray diffraction experiments combined with the density functional theory. It has been observed that naphthosemiquinone binds to two K+ ions extending the polymeric chain through bridging oxygens O(2) and O(3). The crystal network possesses hydrogen bonding interactions from coordinated water molecules showing water channels along the c-axis. C-13 NMR spectra revealed that the complexation of phthiocol with potassium ion engenders deshielding of C(2) signals, which appear at delta = similar to 14.6 ppm whereas those of C(3) exhibit up-field signals near delta similar to 6.9 ppm. These inferences are supported by the M06-2x based density functional theory. Electrochemical experiments further suggest that reduction of naphthosemiquinone results in only a cathodic peak from catechol. A triplet state arising from interactions between neighboring phthiocol anion lead to a half field signal at g = 4.1 in the polycrystalline X-band EPR spectra at 133 K. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {C-13 NMR, DFT, hydrogen bonding, Naphthosemiquinone, Phthiocol, Vitamin K3}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2015.01.053}, author = {Kathawate, Laxmi and Gejji, Shridhar P. and Yeole, Sachin D. and Verma, Prakash L. and Puranik, Vedavati G. and Salunke-Gawali, Sunita} } @article { ISI:000359956500020, title = {First regioselective iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles}, journal = {Tetrahedron Letters}, volume = {56}, number = {36}, year = {2015}, month = {SEP}, pages = {5140-5144}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The regioselective iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles is described for the first time. The iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles using molecular iodine afforded diiodo-compound which on Cul-catalyzed intramolecular C-N coupling reaction gave six-membered 2-aryl-51141,2,4]triazolo[5,1-b][1,3]thiazines, whereas, the five membered 3-aryl-5,6-dihydrothiazolo[2,3-c][1,2,4]triazoles were obtained exclusively when the iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles was carried out using NIS. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Iodocyclization, Regloselective, Thiazine, Triazole}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.07.006}, author = {Rode, Navnath D. and Sonawane, Amol D. and Garud, Dinesh R. and Joshi, Rohini R. and Joshi, Ramesh A. and Likhite, Anjali P.} } @article { ISI:000350528300019, title = {First synthesis of nitrosporeusines, alkaloids with multiple biological activities}, journal = {Tetrahedron Letters}, volume = {56}, number = {10}, year = {2015}, month = {MAR}, pages = {1252-1254}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthesis of nitrosporeusines A and B, thioester-bearing alkaloids from the Arctic Streptomyces nitrosporeus with exceptional biological activity is disclosed for the first time. In addition, we have prepared another biologically important natural product, maleimycin, in optically pure form using a gram-scale enzymatic resolution method. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Enzymatic resolution, Influenza H1N1 virus, Maleimycin, Michael reaction, Nitrosporeusine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.01.143}, author = {Philkhana, Satish Chandra and Jachak, Gorakhnath R. and Gunjal, Vidya B. and Dhage, Nagsen M. and Bansode, Ajay H. and Reddy, D. Srinivasa} } @article {45934, title = {Fluorescent cadmium telluride quantum dots embedded chitosan nanoparticles: a stable, biocompatible preparation for bio-imaging}, journal = {Journal of Biomaterials Science-Polymer Edition}, volume = {26}, year = {2015}, month = {JAN }, pages = {42-56}, type = {Article}, abstract = {

Fluorescent cadmium telluride quantum dots (CdTe QDs) are an optically attractive option for bioimaging, but are known to display high cytotoxicity. Nanoparticles synthesized from chitosan, a natural biopolymer of beta 1-4 linked glucosamine, display good biocompatibility and cellular uptake. A facile, green synthetic strategy has been developed to embed green fluorescent cadmium telluride quantum dots (CdTe QDs) in biocompatible CNPs to obtain a safer preparation than {\textquoteleft}as is{\textquoteright} QDs. High-resolution transmission electron microscopy showed the crystal lattice corresponding to CdTe QDs embedded in CNPs while thermogravimetry confirmed their polymeric composition. Electrostatic interactions between thiol-capped QDs (4nm, -57mV) and CNPs (\~300nm, +38mV) generated CdTe QDs-embedded CNPs that were stable up to three months. Further, viability of NIH3T3 mouse fibroblast cells in vitro increased in presence of QDs-embedded CNPs as compared to bare QDs. At the highest concentration (10 mu g/ml), the former shows 34 and 39\% increase in viability at 24 and 48h, respectively, as compared to the latter. This shows that chitosan nanoparticles do not release the QDs up to 48h and do not cause extended toxicity. Furthermore, hydrolytic enzymes such as lysozyme and chitinase did not degrade chitosan nanoparticles. Moreover, QDs-embedded CNPs show enhanced internalization in NIH3T3 cells as compared to bare QDs. This method offers ease of synthesis and handling of stable, luminescent, biocompatible CdTe QDs-embedded CNPs with a favorable toxicity profile and better cellular uptake with potential for bioimaging and targeted detection of cellular components.

}, keywords = {Biocompatible, bioimaging, CdTe quantum dots, chitosan nanoparticles, Toxicity}, issn = {0920-5063}, doi = {10.1080/09205063.2014.982240}, author = {Ghormade, Vandana and Gholap, Haribhau and Kale, Sonia and Kulkarni, Vaishnavi and Bhat, Suresh and Paknikar, Kishore} } @article {45884, title = {Fluorescent probe for specific detection of cysteine in the lipid dense region of cells}, journal = {Chemical Communications}, volume = {51}, year = {2015}, month = {SEP}, pages = {16932-16935}, type = {Article}, abstract = {

A new cysteine (Cys) specific chemodosimetric reagent (ER-F) is used in imaging of endogenous Cys localized in the lipid dense region of the live Hct116 cells and the release of Cys within HepG2 cells from a drug following a biochemical transformation. A silica surface, modified with ER-F, could be used for quantitative estimation of Cys present in aqueous solution (pH 7.2) and in a human blood plasma (HBP).

}, issn = {1359-7345}, doi = {10.1039/c5cc07450a}, author = {Ali, Firoj and Anila, H. A. and Taye, Nandaraj and Gonnade, Rajesh G. and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000365532000008, title = {Fluorescent probes for the detection of cyanide ions in aqueous medium: cellular uptake and assay for beta-glucosidase and hydroxynitrile lyase}, journal = {Journal of Materials Chemistry B}, volume = {3}, number = {47}, year = {2015}, month = {OCT}, pages = {9148-9156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A chemodosimteric reagent (1) for the efficient detection of cyanide species (CN- and/or HCN) in aq. medium as well as under physiological conditions has been described. Selective reaction of the cyanide species with this reagent in the presence of all common interfering anions, amino acids and glutathione (GSH) led to the generation of the corresponding cyanohydrin derivative. The formation of the cyanohydrin derivative of the probe is associated with a visually detectable change in solution fluorescence in aq. buffer medium with 1.9 mu M NaCN, the threshold limit set by WHO for the safe drinking water and this makes this fluorogenic sensor an ideal candidate for in-field applications. An apparent switch on the luminescence response, ultralow detection limit, low response time, cell membrane permeability and insignificant toxicity are key features of a probe molecule, which gives it a distinct edge over previously reported chemodosimetric reagents for the detection of cyanide species (CN- or HCN) in an aqueous environment. This methodology could be used for developing a generalized and efficient fluorescence-based assay for crucial enzymes like beta-glucosidase and hydroxynitrile lyase. Furthermore, spectrally-resolved fluorescence microscopy measurements on single-cells revealed that this sensor molecule could also be used for imaging the cellular uptake of cyanide species from aq. solution contaminated with NaCN. Our results confirmed that statistical analysis of integrated intensity and transition energy obtained from the emission spectra collected over various microscopic sub-cellular regions can potentially be used to discriminate the effects of local cellular environments and that due to cyanide detection.

}, issn = {2050-750X}, doi = {10.1039/c5tb01853f}, author = {Agarwalla, Hridesh and Gangopadhyay, Monalisa and Sharma, Dharmendar Kumar and Basu, Santanu Kumar and Jadhav, Sameer and Chowdhury, Arindam and Das, Amitava} } @article { ISI:000350528300022, title = {Formal asymmetric synthesis of (2S,4R)-4-hydroxypipecolic acid via Co(III)(salen)-catalyzed two stereocentered HKR of racemic azido epoxide}, journal = {Tetrahedron Letters}, volume = {56}, number = {10}, year = {2015}, month = {MAR}, pages = {1263-1265}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient formal synthesis of (2S,4R)-4-hydroxypipecolic acid has been achieved in high optical purity (99\% ee) from readily available benzaldehyde. The strategy employs an iodine-induced intramolecular cyclization of a carbonate and Co-catalyzed Hydrolytic Kinetic Resolution (HKR) of two stereocentered racemic azido epoxide as the key reactions to construct chiral 1,3-amino alcohol functionality. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Azido epoxide, Hydrolytic kinetic resolution, lodocyclization, Piperidine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.01.113}, author = {Kamble, Rohit B. and Gadre, Shubhankar Haribhau and Suryavanshi, Gurunath M.} } @article { ISI:000361697400005, title = {Fractional photo-current dependence of graphene quantum dots prepared from carbon nanotubes}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {38}, year = {2015}, month = {AUG}, pages = {24566-24569}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report on the photo-conductivity studies of chemically synthesized graphene quantum dots (GQDs) of average size 12 nm obtained by the oxidative acid treatment of MWCNTs. The dependence of photocurrent I-ph (I-ph = I-ill - I-dark) on the laser intensity P under a wide range of laser intensities (5 mW \<= P \<= 60 mW) shows a fractional power dependence of I-ph on light intensity. The temperature dependence (300 K \< T \< 50 K) of I-ph observed in thin films of these GQDs indicates that in the higher temperature region (T \> similar to 100 K), as the temperature increases, the number of thermally generated carriers increase resulting in increased I-ph. At sufficiently low temperatures (T \<= 100 K), a constant I-ph is observed, indicating a constant photocarrier density. Such a behavior is typically observed in many photoactive disordered semiconductors, which are often used in a variety of applications. We believe that the investigations presented here will enhance our understanding of the photocurrent generation phenomenon in chemically obtained GQDs.

}, issn = {1463-9076}, doi = {10.1039/c5cp03306c}, author = {Kundu, Sumana and Ghosh, Sujoy and Fralaide, Michael and Narayanan, T. N. and Pillai, Vijayamohanan K. and Talapatra, Saikat} } @article { ISI:000354964900096, title = {Freezing tendency towards 4-coordinated amorphous networks causes an increase in the heat capacity of supercooled Stillinger-Weber silicon}, journal = {RSC Advances}, volume = {5}, number = {55}, year = {2015}, month = {MAY}, pages = {44679-44686}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Supercooled liquid silicon (Si), modeled by the Stillinger-Weber (SW) potential, has been shown to undergo transition to low density amorphous phases at 1060 K in previous studies. Furthermore, the constant pressure heat capacity C-p has been found to exhibit a large increase as the liquid is cooled to 1060 K. In this work, we examine the nature of the equilibrium and the relaxation process of supercooled SW Si in the temperature range of 1060 K to 1070 K at zero pressure. We find that the relaxation of the supercooled liquid leads to a sharp irreversible decrease in the fluctuation of the two body energy of the largest connected network of 4-coordinated particles. Such a process implies a tightening of the bonds (i.e. freezing or jamming) of the network, and is accompanied by a sharp increase in the fraction of the 4-coordinated particles in the system. We find that the jamming (or freezing) process shows a sudden acceleration across a dynamical instability point that occurs at a unique potential energy state of the network. Further, we find that the occurrence of the dynamical instability is associated with the appearance of a straight line region in the cumulative potential energy distributions with a configurational temperature close to 1060 K. We conclude that the supercooled liquid state must be regarded as a constrained equilibrium state, since the accessible microstates are constrained by the inherent tendency of the system to approach the dynamical instability point. Thus all properties of supercooled liquid SW-Si, including the rise in C-p at 1060 K, can be attributed to the freezing tendency of the 4-coordinated particle network.

}, issn = {2046-2069}, doi = {10.1039/c5ra04892c}, author = {Apte, Pankaj A. and Pingua, Nandlal and Gautam, Arvind Kumar and Kumar, Uday and Willow, Soohaeng Yoo and Zeng, Xiao Cheng and Kulkarni, B. D.} } @article { ISI:000365930300028, title = {Furosemide cocrystals with pyridines: an interesting case of color cocrystal polymorphism}, journal = {Crystal Growth \& Design}, volume = {15}, number = {12}, year = {2015}, month = {DEC}, pages = {5858-5872}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Furosemide (FS), a loop diuretic drug commonly used for the treatment of hypertension and edema, exhibited color cocrystal polymorphism with coformer 4,4{\textquoteright}-bipyridine (4BPY) in the stoichiometry 2:1, albeit both the API and the cocrystal former are colorless. Crystallization from ethanol, isopropanol, ethanol-water (v/v, 1/1) mixture, and acetonitrile yielded pale yellow (form II, thin needles) and orange (form 1II, blocks) cocrystals concomitantly. Needles appeared from solution within a day, while the blocks were obtained after 1-2 days from the same flask, indicating that yellow needles were formed faster and the orange blocks were perhaps formed under thermodynamic conditions. Form 1I cocrystals could also be produced from the variety of common solvents. Cocrystallization of FS with 2,2{\textquoteright}-bipyridine (2BPY) and 4-aminopyridine (4AP) gave colorless cocrystals 2 and 3, respectively, and did not exhibit polymorphism. The single-crystal X-ray structures, powder X-ray diffraction, photophysical characterization, differential scanning calorimetry, hot stage microscopy studies, and density functional theory (DFT) calculations provide insight into the structure property relationship. The common structural features observed in all of the structures is the formation of sandwich motifs comprising FS and pyridines through pi-stacking interactions. These motifs are linked differently through hydrogen bonding interactions in all three directions. The significant color difference between the two cocrystals dimorphs could be attributed to the different pi-stacking patterns and hydrogen bonding interactions between molecules of FS and 4BPY in their cocrystal structures. Investigation on the origin of the color difference using DFT calculations revealed the decrease in HOMO-LUMO gap for form 1II cocrystals (orange) compared to form 1I crystals (light yellow). The crystal-to-crystal thermal transformation of form 1I crystals to form 1II crystals of 1 suggests the role of pi-stacking assemblies in driving the self-assembly.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.5b01240}, author = {Sangtani, Ekta and Sahu, Sanjay Kumar and Thorat, Shridhar H. and Gawade, Rupesh L. and Jha, Kunal K. and Munshi, Parthapratim and Gonnade, Rajesh G.} } @article { ISI:000364264800011, title = {Genetic programming based quantitative structure-retention relationships for the prediction of Kovats retention indices}, journal = {Journal of Chromatography A}, volume = {1420}, year = {2015}, month = {NOV}, pages = {98-109}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The development of quantitative structure-retention relationships (QSRR) aims at constructing an appropriate linear/nonlinear model for the prediction of the retention behavior (such as Kovats retention index) of a solute on a chromatographic column. Commonly, multi-linear regression and artificial neural networks are used in the QSRR development in the gas chromatography (GC). In this study, an artificial intelligence based data-driven modeling formalism, namely genetic programming (GP), has been introduced for the development of quantitative structure based models predicting Kovats retention indices (KRI). The novelty of the GP formalism is that given an example dataset, it searches and optimizes both the form (structure) and the parameters of an appropriate linear/nonlinear data-fitting model. Thus, it is not necessary to pre-specify the form of the data-fitting model in the GP-based modeling. These models are also less complex, simple to understand, and easy to deploy. The effectiveness of GP in constructing QSRRs has been demonstrated by developing models predicting KRIs of light hydrocarbons (case study-I) and adamantane derivatives (case study-II). In each case study, two-, three- and four-descriptor models have been developed using the KRI data available in the literature. The results of these studies clearly indicate that the GP-based models possess an excellent KRI prediction accuracy and generalization capability. Specifically, the best performing four-descriptor models in both the case studies have yielded high (\>0.9) values of the coefficient of determination (R-2) and low values of root mean squared error (RMSE) and mean absolute percent error (MAPE) for training, test and validation set data. The characteristic feature of this study is that it introduces a practical and an effective GP-based method for developing QSRRs in gas chromatography that can be gainfully utilized for developing other types of data-driven models in chromatography science. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Artificial intelligence, Gas chromatography, genetic programming, Kovats retention index, Molecular descriptors, Quantitative structure-retention relationships}, issn = {0021-9673}, doi = {10.1016/j.chroma.2015.09.086}, author = {Goel, Purva and Bapat, Sanket and Vyas, Renu and Tambe, Amruta and Tambe, Sanjeev S.} } @article { ISI:000358630800013, title = {Genotype x environment interactions and QTL clusters underlying dough rheology traits in triticum aestivum L.}, journal = {Journal of Cereal Science}, volume = {64}, year = {2015}, month = {JUL}, pages = {82-91}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

Genetic dissection of dough rheology traits (DRT) in hexaploid wheat was carried out using nine mixograph characters evaluated in two consecutive years in three agro-climatic zones in India in an RIL population (HI977 x HD2329). Pearson correlations determined in each year-location indicated 15 stable trait inter-relationships among them but inconsistent correlations with loaf volume (LV) were observed. Using AMMI analysis we derived patterns in G x E interactions (GEI) indicating 6-47\% contribution for the DRT. Composite interval mapping using a linkage map of 202 SSR markers identified 144 DRT QTLs of which, 96 were detected in single- and the rest in two to five year-locations. Sixteen QTL clusters located on ten chromosomes were identified and only three of them on chromosomes 1B, 5B and 6D involved LV QTLs. For each trait, majority of the DRT QTLs detected in single as well as multiple environments showed location-specificity and suggested that owing to GEI, breeding for wheat dough quality might need careful selection of QTLs targeted for individual agro-climatic zones. The inconsistent correlations of DRT and LV and differential locations of their QTLs in this population corroborated that using dough rheological traits alone to predict LV might pose challenges during wheat improvement. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {AMMI analysis, Dough rheology, Mixograph, QTL}, issn = {0733-5210}, doi = {10.1016/j.jcs.2015.05.002}, author = {Prashant, Ramya and Mani, Elangovan and Rai, Richa and Gupta, R. K. and Tiwari, Ratan and Dholakia, Bhushan B. and Oak, Manoj and Roeder, Marion and Kadoo, Narendra Y. and Gupta, Vidya} } @article { ISI:000358512200094, title = {Green approach for the decoration of Pd nanoparticles on graphene nanosheets: an in situ process for the reduction of C-C double bonds and a reusable catalyst for the suzuki cross-coupling reaction}, journal = {New Journal of Chemistry}, volume = {39}, number = {8}, year = {2015}, month = {JUN}, pages = {6631-6641}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new strategy for in situ synthesis of palladium nanoparticles (Pd NPs) decorated on reduced graphene oxide (rGO) nanosheets with controlled size and shape is reported. This strategy was designed as three processes in one pot, namely, (a) reduction of graphene oxide, (b) formation of Pd NPs on the rGO nanosheets and (c) simultaneous reduction of olefin. In this synthesis process, a hydrogen atmosphere was used to develop the Pd NPs-rGO nanocatalyst, which is reusable and easily separable. The influence of the size and morphology of the Pd-rGO-H-2 catalyst on the catalytic activity in the Suzuki cross-coupling reaction was investigated by comparing with other catalysts, Pd-rGO-As and Pd-rGO-Gl, and they were synthesized by different reducing agents, ascorbic acid and glucose, respectively. The catalysts were characterized by electron microscopy (HRTEM, SEM), FT-IR, XRD and XPS. The Pd-rGO-H-2 catalyst was found to possess excellent catalytic activity and recyclability in the Suzuki cross-coupling reaction under mild reaction conditions.

}, issn = {1144-0546}, doi = {10.1039/c5nj01221j}, author = {Hussain, Najrul and Borah, Ashwini and Darabdhara, Gitashree and Gogoi, Pranjal and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V. and Das, Manash R.} } @article { ISI:000348937900068, title = {Green synthesis of stable Cu(0) nanoparticles onto reduced graphene oxide nanosheets: a reusable catalyst for the synthesis of symmetrical biaryls from arylboronic acids under base-free conditions}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {2}, year = {2015}, month = {NOV}, pages = {1251-1260}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Highly stable Cu(0) nanoparticles were synthesized on reduced graphene oxide (rGO) sheets using a cost-effective and green method. The synthesized Cu(0)-nanoparticle-rGO composites exhibit excellent catalytic activity for the synthesis of symmetrical biaryls from arylboronic acids under microwave irradiation. The reaction proceeds smoothly in base-free conditions with easy recovery and reuse of the catalyst. The methodology is compatible with various functional groups and provides an attractive protocol for the synthesis of symmetrical biaryls with very good yields. HRTEM, XPS and XRD analyses showed the catalyst to be recyclable. The Cu(0) nanoparticles are stable in the rGO nanosheets, and the particle size distribution and oxidation state of the Cu(0) nanoparticle remain the same after performing the chemical reaction.

}, issn = {2044-4753}, doi = {10.1039/c4cy01229a}, author = {Hussain, Najrul and Gogoi, Pranjal and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V. and Das, Manash R.} } @article { ISI:000346742600008, title = {Heterogeneously catalyzed strategies for the deconstruction of high density polyethylene: plastic waste valorisation to fuels}, journal = {Green Chemistry}, volume = {17}, number = {1}, year = {2015}, month = {OCT}, pages = {146-156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The plastic industry generates enormous quantities of plastics at projected rates (both production and consumption) which can significantly threaten our environment in terms of plastic waste generation. High density polyethylene (HDPE) is one of the main fractions of municipal solid waste which has a remarkable potential to be valorised into fuels (e.g. bio-oils). Catalytic degradation is an innovative alternative process to transform plastic waste into such value added products. This mini review was aimed to discuss the most relevant and recent catalysts developed for the catalytic degradation of HDPE including metal oxides, sulphated metal oxides, zeolites, nanostructured zeolites, molecular sieves, fluid catalytic cracking (FCC) catalysts, metal carbonates and mesoporous materials for the production of chemicals and fuels (e.g. diesel and gasolines). Activities and selectivities as well as important effects of additives, particle size, catalyst to polymer ratios and also recent approaches for waste management will be discussed.

}, issn = {1463-9262}, doi = {10.1039/c4gc01760a}, author = {Burange, Anand S. and Gawande, Manoj B. and Lam, Frank L. Y. and Jayaram, Radha V. and Luque, Rafael} } @article { ISI:000349434300057, title = {Hierarchical CdS nanostructure by Lawesson{\textquoteright}s reagent and its enhanced photocatalytic hydrogen production}, journal = {RSC Advances}, volume = {5}, number = {18}, year = {2015}, month = {JAN}, pages = {13715-13721}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Lawesson{\textquoteright}s reagent (LR) has been effectively exploited for the synthesis of hierarchical architectures of cadmium sulphide (CdS) nanostructures for the first time. The X-ray diffractograms of the as synthesised CdS nanostructures confirm the formation of hexagonal CdS. The broadness of the XRD peaks clearly indicates the nanocrystalline nature of CdS with average crystallite size of 4 nm. A FESEM study revealed the formation of hierarchical nanostructures, whereas a TEM study showed that the hierarchical arrangement is composed of nanosized CdS particles. A band-gap i.e. 2.4 eV was derived from diffuse reflectance spectroscopy. The photoluminescence spectrum showed an emission peak at 535 and 568 nm which can be attributed to band-edge emission and surface emissions or possible metal vacancies, respectively. Considering the band-gap within the visible region, the photocatalytic hydrogen evolution performance of these CdS nanostructures was performed under visible light irradiation from hydrogen sulphide and water, respectively. Utmost hydrogen evolution i.e. 14 136 mu mol h(-1) g(-1) and 2065 mu mol h(-1) g(-1) was observed over a naked CdS nanostructure via H2S and water decomposition, respectively. The amount of hydrogen obtained by H2S splitting is much higher as compared to earlier reports.

}, issn = {2046-2069}, doi = {10.1039/c4ra15138k}, author = {Pandit, Vikram U. and Arbuj, Sudhir S. and Hawaldar, Ranjit R. and Kshirsagar, Pradnya V. and Deshmukh, Amarsinh J. and Ambekar, Jalindar D. and Mulik, Uttam P. and Gosavi, Suresh W. and Kale, Bharat B.} } @article { ISI:000350247300002, title = {High molecular weight polylactic acids by polyesterification using diisopropylcarbodiimide (DIPC) and 4-(dimethylamino) pyridinium ptoluene sulfonate (DPTS)}, journal = {Polymer Bulletin }, volume = {72}, number = {3}, year = {2015}, month = {MAR}, pages = {405-415}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

High molecular weight poly(l-lactic acid) has been prepared from the corresponding functionally terminated oligomers employing a polyesterification method at room temperature using diisopropylcarbodiimide and 4-(dimethylamino) pyridinium-p-toluene sulfonate. Self-condensation of hydroxyl and carboxylic acid-terminated poly(l-lactic acid) oligomers (M (n) : similar to 1,000) resulted in polymers with high molecular weights (M (n) \> 45,000) under mild conditions. End-group analysis by MALDI-TOF provided evidence for N-acylurea formation in the product under the reaction conditions employed.

}, issn = {0170-0839}, doi = {10.1007/s00289-014-1285-0}, author = {Shyamroy, S. and Garnaik, Baijayantimala and Sivaram, S.} } @article { ISI:000363666000023, title = {Highly emissive organic solids with remarkably broad color tunability based on N,C-chelate, four-coordinate organoborons}, journal = {Chemical Communications}, volume = {51}, number = {89}, year = {2015}, month = {SEP}, pages = {16115-16118}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Molecular fluorophores based on N,C-chelate, four-coordinate organo-borons exhibit tunable solid-state emission colors that cover the whole visible region from blue to red. The emission color can be tuned through the substituents on either quinolines or the boron center.

}, issn = {1359-7345}, doi = {10.1039/c5cc06351e}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh S. and Thorat, Shridhar and Maity, Arunava and Kulkarni, Prasad P. and Gonnade, Rajesh G. and Munshi, Parthapratim and Patil, Nitin T.} } @article { ISI:000363996300005, title = {Highly enantioselective Pd-catalyzed synthesis of P-stereogenic supramolecular phosphines, self-assembly, and implication}, journal = {Organometallics}, volume = {34}, number = {20}, year = {2015}, month = {OCT}, pages = {4802-4805}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Metal-catalyzed asymmetric addition of a secondary phosphine to an aryl halide is one of the most efficient and reliable approaches for the construction of enantiopure carbon phosphorus bonds. An isolated Pd(II) complex (5) catalyzes the carbon phosphorus coupling reaction between tolylphenylphosphine (la) and 3-iodophenylurea (2b), which proceeds with an unprecedented enantiomeric excess (ee) of 97\%. The generality of the strategy has been demonstrated by preparing a small library of a new class of P-stereogenic phosphines with an in-built hydrogen bonding motif for the first time. The P-stereogenic phosphines self-assemble on a metal template via deliberately installed hydrogen-bonding motifs and mimic the bidentate ligand coordination. Interestingly, when it was employed in asymmetric hydrogenation, the supramolecular phosphine {1-(3-(phenyl(o-toly)phosphanyl)pheny)ureal} (6b) produced the corresponding hydrogenated product with the highest enantiomeric excess of 99\% along with excellent conversion, demonstrating the potential of these enantioenriched P-chirogenic supramolecular phosphines in asymmetric catalysis.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.5b00664}, author = {Koshti, Vijay S. and Mote, Nilesh R. and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article { ISI:000353930700023, title = {Hybrid perovskite films by a new variant of pulsed excimer laser deposition: a room-temperature dry process}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {17}, year = {2015}, month = {APR}, pages = {9177-9185}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new variant of the classic pulsed laser deposition (PLD) process is introduced as a room-temperature dry process for the growth and stoichiometry control of hybrid perovskite films through the use of nonstoichiometric single target ablation and off-axis growth. Mixed halide hybrid perovskite films nominally represented by CH(3)NH(3)PbI(3-x)A(x) (A = Cl or F) are also grown and are shown to reveal interesting trends in the optical properties and photoresponse. Growth of good quality lead-free CH3NH3SnI3 films is also demonstrated, and the corresponding optical properties are presented. Finally, perovskite solar cells fabricated at room temperature (which makes the process adaptable to flexible substrates) are shown to yield a conversion efficiency of about 7.7\%.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b02561}, author = {Bansode, Umesh P. and Naphade, Rounak and Game, Onkar S. and Agarkar, Shruti A. and Ogale, Satishchandra} } @article { ISI:000366006300012, title = {Hydrogen bond and ligand dissociation dynamics in fluoride sensing of Re(I)-polypyridyl complex}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {47}, year = {2015}, month = {NOV}, pages = {14952-14958}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Hydrogen bonding interaction plays an essential role in the early phases of molecular recognition and colorimetric sensing of various anions in aprotic media. In this work, the host-guest interaction between fac-[Re(CO)(3)Cl(L)] with L = 4-([2,2{\textquoteright}-bipyridin]-4-yl)phenol and fluoride ions is investigated for the hydrogen bond dynamics and the changing local coordination environment. The stoichiometric studies using H-1 NMR and ESI-MS spectroscopies have shown that proton transfer in the H-bonded phenol-fluoride complex activates the dissociation of the CO ligand in the Re(I) center. The phenol-to-phenolate conversion during formation of HF2- ion induces nucleophilic lability of the CO ligand which is probed by intraligand charge transfer (ILCT) and ligand-to-metal charge transfer (LMCT) transitions in transient absorption spectroscopy. After photoexcitation, phenol-phenoxide conversion rapidly equilibrates in 280 fs time scale and the ensuing excited state [ReII(bpy(center dot-)-phenolate(-))(CO)(3)Cl]* undergoes CO dissociation in the ultrafast time scale of similar to 3 ps. A concerted mechanism of hydrogen cleavage and coordination change is established in anion sensing studies of the rhenium complex.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b09227}, author = {Verma, Sandeep and Aute, Sunil and Das, Amitava and Ghosh, Hirendra N.} } @article {43046, title = {Identification of Th1/Th2 regulatory switch to promote healing response during Leishmaniasis: a computational approach}, journal = {EURASIP Journal on Bioinformatics and Systems Biology}, volume = {1}, year = {2015}, month = {DEC}, abstract = {

Leishmania devices its survival strategy by suppressing the host{\textquoteright}s immune functions. The antigen molecules produced by Leishmania interferes with the host{\textquoteright}s cell signaling cascades and consequently changes the protein expression pattern of the antigen-presenting cell (APC). This creates an environment suitable for the switching of the T-cell responses from a healing Th1 response to a non-healing Th2 response that is favorable for the continued survival of the parasite inside the host APC. Using a reconstructed signaling network of the intracellular and intercellular reactions between a Leishmania infected APC and T-cell, we propose a computational model to predict the inhibitory effect of the Leishmania infected APC on the T-cell and to identify the regulators of this Th1-/Th2-switching behavior as observed during Leishmania infection. In this work, we hypothesize that a complete removal of the parasite could only be achieved with a simultaneous up-regulation of the healing Th1 response and stimulation of nitric oxide (NO) production from the APCs, and downregulation of the non-healing Th2 response and thereby propose several unique combinations of protein molecules that could elicit this anti-Leishmania immune response. Our results indicate that TLR3 may play a positive role in eliciting NO synthesis, while TLR2 may be responsible for inhibiting an anti-Leishmania immune response. Also, TLR3 overexpression (in the APC), when combined with SHP2 inhibition (in the T cell), produces an anti-Leishmania response that is better than the conventional IFN-gamma or IL12 treatment. A similar anti-Leishmania response is also obtained in another combination where TLR3 (in APC) is overexpressed, and SHC and MKP (of T cell) are inhibited and activated, respectively. Through our study, we also observe that Leishmania infection may induce an upregulation of IFN-beta production from the APC that may lead to an upregulation of the RAP1 and SOCS3 proteins inside the T cell, the potential inhibitors of MAPK and JAK-STAT signaling pathways, respectively, via the TYK2-mediated pathway. This study not only enhances our knowledge in understanding the Th1/Th2 regulatory switch to promote healing response during leishmaniasis but also helps to identify novel combinations of proteins as potential immunomodulators. Electronic supplementary material The online version of this article (doi:10.1186/s13637-015-0032-7) contains supplementary material, which is available to authorized users.

}, doi = {10.1186/s13637-015-0032-7}, author = {Ganguli, Piyali and Choudhury, Saikat and Choudhury, Shomeek and Sarkar, Ram Rup} } @article { ISI:000354472900015, title = {Influence of cultivar, ripeness, blanching, drying, irradiation, and pectin recovery on alk(en)ylresorcinols in mango peels}, journal = {European Food Research and Technology}, volume = {240}, number = {6}, year = {2015}, month = {JUN}, pages = {1235-1245}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The influence of different technological treatments on alk(en)ylresorcinol (AR) contents and pattern in mango peels was evaluated using peels from six different mango cultivars. AR concentrations were shown to highly depend on the cultivar. While high AR concentrations were observed in the analyzed monoembryonic cultivars, AR contents in the polyembryonic cultivar Nam Dokmai were significantly lower. Furthermore, for monoembryonic cultivars, AR levels in the peels of ripe fruits were found to be higher than in unripe ones, while AR levels in cv. Nam Dokmai were independent of the ripeness degree. Convective oven drying resulted in a significant reduction in AR contents when compared to lyophilization. Blanching prior to drying diminished AR yields, thus being unsuitable for satisfactory AR recovery. Gamma irradiation did not significantly affect the AR contents. Since depectinization of mango peels significantly concentrated AR amounts in the depectinized pomace, the consecutive extraction of pectin and ARs allows the dual valorization of mango peels. Considering the treatments investigated, the retention of ARs carrying saturated and unsaturated side chains did not differ under acidic conditions, heating, and irradiation, respectively. Consequently, the 1,3-dihydroxybenzene structure was concluded to be the most labile moiety of the AR molecule.

}, keywords = {Alkylresorcinol, By-products, Monoembryonic, Polyembryonic, Pomace, Ultrasound}, issn = {1438-2377}, doi = {10.1007/s00217-015-2426-x}, author = {Geerkens, Christian Hubert and Miller-Rostek, Petra and Matejka, Anna Elisabeth and Nene, Sanjay and Kammerer, Dietmar Rolf and Carle, Reinhold and Schweiggert, Ralf Martin} } @article { ISI:000353901700002, title = {Insect trehalase: physiological significance and potential applications}, journal = {Glycobiology}, volume = {25}, number = {4}, year = {2015}, month = {APR}, pages = {357-367}, publisher = {OXFORD UNIV PRESS INC}, address = {JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA}, abstract = {

Trehalose, a non-reducing disaccharide, is widespread throughout the biological world. It is the major blood sugar in insects playing a crucial role as an instant source of energy and in dealing with abiotic stresses. The hydrolysis of trehalose is under the enzymatic control of trehalase. The enzyme trehalase is gaining interest in insect physiology as it regulates energy metabolism and glucose generation via trehalose catabolism. The two forms of insect trehalase namely, Tre-1 and Tre-2, are important in energy supply, growth, metamorphosis, stress recovery, chitin synthesis and insect flight. Insect trehalase has not been reviewed in depth and the information available is quite scattered. The present mini review discusses our recent understanding of the regulation, mechanism and biochemical characterization of insect trehalase with respect to its physiological role in vital life functions. We also highlight the molecular and biochemical properties of insect trehalase that makes it amenable to competitive inhibition by most glycosidase inhibitors. Due to its crucial role in carbon metabolism in insects, application of inhibitors against trehalose can form a promising area towards formulating strategies for insect pest control.

}, keywords = {carbohydrate metabolism, glycosidase inhibitor, glycoside hydrolase, trehalase, trehalose}, issn = {0959-6658}, doi = {10.1093/glycob/cwu125}, author = {Shukla, Ekta and Thorat, Leena J. and Nath, Bimalendu B. and Gaikwad, Sushama M.} } @article { ISI:000361424000014, title = {Insertion copolymerization of difunctional polar vinyl monomers with ethylene}, journal = {ACS Macro Letters}, volume = {4}, number = {9}, year = {2015}, month = {SEP}, pages = {933-937}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A single-step synthesis, structural characterization and application of a neutral, acetonitrile ligated, palladium-phosphinesulfonate complex [{P\<\^\>O}PdMe(L)] (P\<\^\>O = K-2-P,O Ar2PC6H4SO2O with Ar = 2-MeOC6H4; L = CH3CN) (3) in coordination/insertion copolymerization of ethylene with difunctional olefin is investigated. In a significant development, complex 3 was found to catalyze insertion copolymerization of industrially relevant 1,1-disubstituted difunctional vinyl monomers for the first time. Thus, insertion copolymerization of ethyl-2-cyanoacrylate (ECA or super glue) and trifluoromethyl acrylic acid (TFMAA) with ethylene produced the corresponding copolymers with 6.5\% ECA and 3\% TFMAA incorporation. Increasing the concentration of difunctional olefins led to higher incorporation but at the expense of lower activities. These observations indicate that complex 3 tolerates difunctional vinyl monomers and provides direct access to difunctional polyolefins that have not been attempted before.

}, issn = {2161-1653}, doi = {10.1021/acsmacrolett.5b00562}, author = {Gaikwad, Shahaji R. and Deshmukh, Satej S. and Gonnade, Rajesh G. and Rajamohanan, P. R. and Chikkali, Samir H.} } @article { ISI:000361190200026, title = {Intramolecular cyclization of carbonate and thiocarbonate derivatives of myo-inositol in the solid state: implications for acyl group transfer reactions in molecular crystals}, journal = {Chemistry-A European Journal}, volume = {21}, number = {39}, year = {2015}, month = {SEP}, pages = {13676-13682}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Racemic 4-O-phenoxycarbonyl and 4-O-phenoxythiocarbonyl derivatives of myo-inositol orthoformate undergo thermal intramolecular cyclization in the solid state to yield the corresponding 4,6-bridged carbonates and thiocarbonates, respectively. The thermal cyclization also occurs in the solution and molten states, but less efficiently, suggesting that these cyclization reactions are aided by molecular pre-organization, although not strictly topochemically controlled. Crystal structures of two carbonates and a thiocarbonate clearly revealed that the relative orientation of the electrophile and the nucleophile in the crystal lattice facilitates the intramolecular cyclization reaction and forbids the intermolecular reaction. The correlation observed between the chemical reactivity and the non-covalent interactions in the crystal of the reactants provides a way to estimate the chemical stability of analogous molecules in the solid state.

}, keywords = {crystal engineering, cyclitols, inositols, nucleophilic substitution, solid-phase synthesis}, issn = {0947-6539}, doi = {10.1002/chem.201501480}, author = {Tamboli, Majid I. and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Krishnaswamy, Shobhana} } @article { ISI:000347895500008, title = {Investigation of phosphoproteome in RAGE signaling}, journal = {Proteomics}, volume = {15}, number = {2-3, SI}, year = {2015}, month = {JAN}, pages = {245-259}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

The receptor for advanced glycation end products (RAGE) is one of the most important proteins implicated in diabetes, cardiovascular diseases, neurodegenerative diseases, and cancer. It is a pattern recognition receptor by virtue of its ability to interact with multiple ligands, RAGE activates several signal transduction pathways through involvement of various kinases that phosphorylate their respective substrates. Only few substrates have been known to be phosphorylated in response to activation by RAGE (e.g., nuclear factor kappa B); however, it is possible that these kinases can phosphorylate multiple substrates depending upon their expression and localization, leading to altered cellular responses in different cell types and conditions. One such example is, glycogen synthase kinase 3 beta which is known to phosphorylate glycogen synthase, acts downstream to RAGE, and hyperphosphorylates microtubule-associated protein tau causing neuronal damage. Thus, it is important to understand the role of various RAGE-activated kinases and their substrates. Therefore, we have reviewed here the details of RAGE-activated kinases in response to different ligands and their respective phosphoproteome. Furthermore, we discuss the analysis of the data mined for known substrates of these kinases from the PhosphoSitePlus (http://www.phosphosite.org) database, and the role of some of the important substrates involved in cancer, diabetes, cardiovascular diseases, and neurodegenerative diseases. In summary, this review provides information on RAGE-activated kinases and their phosphoproteome, which will be helpful in understanding the possible role of RAGE and its ligands in progression of diseases.

}, keywords = {Cell biology, Disease, Glycation, Kinase, Phosphoproteome, RAGE}, issn = {1615-9853}, doi = {10.1002/pmic.201400169}, author = {Batkulwar, Kedar B. and Bansode, Sneha B. and Patil, Gouri V. and Godbole, Rashmi K. and Kazi, Rubina S. and Chinnathambi, Subashchandrabose and Shanmugam, Dhanasekaran and Kulkarni, Mahesh J.} } @article { ISI:000352668900015, title = {Investigation of the effect of amino acid chirality in the internucleoside linker on DNA:DNA and DNA : RNA duplex stability}, journal = {Tetrahedron}, volume = {71}, number = {16}, year = {2015}, month = {APR}, pages = {2442-2449}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Enzymatically and chemically stable amide-linked di/oligonucleosides are highly desired synthetic targets in which the phosphodiester linkages in native DNA are replaced by amide linkers of appropriate length and stereochemistry. The five-atom amide-linked dimers, synthesized from 3{\textquoteright}-amino-3{\textquoteright}-deoxy thymidine, (alpha-(L/D) proline/prochiral glycine and thymidine/uridine-4{\textquoteright}carboxylic acid derivatives, were incorporated into the DNA backbone to achieve partial replacement of selected phosphodiester linkages. The results stressed the importance of the chirality of linker amino acid. D-Proline was found to be the most compatible as an internucleoside linker in the DNA backbone to stabilize the complexes with DNA or RNA as compared to L-proline and glycine. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {alpha-Amino acid, Chiral amide linkage, DNA, Five-atom amide linkage, L/D-Proline}, issn = {0040-4020}, doi = {10.1016/j.tet.2015.02.042}, author = {Seema Bagmare and Gunjal, Anita D. and Kumar, Vaijayanti A.} } @article { ISI:000362308600004, title = {Lannea coromandelica attenuates glucagon and oxyntomodulin mediated cAMP formation in HEK cells stably-expressing human glucagon receptor}, journal = {Journal of Herbal Medicine}, volume = {5}, number = {3}, year = {2015}, month = {SEP}, pages = {153-157}, publisher = {ELSEVIER GMBH, URBAN \& FISCHER VERLAG}, address = {OFFICE JENA, P O BOX 100537, 07705 JENA, GERMANY}, abstract = {

Antagonism of glucagon is a potential therapeutic approach for Type 2 diabetes mellitus (T2DM). The bark extract of Lannea coromandelica has been reported to have hypoglycemic or anti-diabetic effects on animal models and human subjects. The aim of this study was to elucidate the molecular mechanisms of L. coromandelica extract as a glucagon receptor antagonist. The aqueous extract of L. coromandelica bark attenuated glucagon-mediated cAMP formation in a concentration dependent manner with an IC50 value of 4.24 +/- 1.31 mu g/ml. It shifted a concentration response curve of glucagon towards the right with a 4, 21 and 40-fold change in IC50 at 6.25, 12.5 and 25 mu g/ml of extract, respectively. Additionally, it attenuated an oxyntomodulin-mediated cAMP response. The extract was found specifically to inhibit glucagon mediated cAMP formation since it was ineffective in reducing cAMP levels nonspecifically-elevated by forskolin. The data support that the aqueous extract of L. coromandelica antagonizes the glucagon receptor and has the potential to reduce glucagon mediated liver glucose output. (C) 2015 Elsevier GmbH. All rights reserved.

}, keywords = {cAMP, Diabetes, Glucagon, Lannea coromandelica, Mechanism, Oxyntomodulin}, issn = {2210-8033}, doi = {10.1016/j.hermed.2015.06.005}, author = {Walunj, Sameer and Gupta, Rajesh and Joshi, Swati P. and Sabharwal, Sushma G. and Joshi, Kalpana} } @article {42627, title = {Lifetime of inner-shell hole states of Ar (2p) and Kr (3d) using equation-of-motion coupled cluster method}, journal = {Journal of Chemical Physics}, volume = {143}, year = {2015}, month = {JUL}, pages = {Article No. 024305}, doi = {10.1063/1.4926396}, author = {Ghosh, Aryya and Pal, Sourav and Vaval, Nayana} } @article { ISI:000356515600001, title = {Long chain branched impact copolymer of polypropylene: microstructure and rheology}, journal = {Polymer Engineering and Science}, volume = {55}, number = {7}, year = {2015}, month = {JUL}, pages = {1463-1474}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A biphasic impact copolymer of polypropylene (ICP) was modified with peroxide by reactive extrusion process resulting in reduced melt flow index, improved melt strength, and higher die swell. The polymers were for the first time subjected to systematic rheological and microstructural characterization in an effort to understand their structure-property relations. In shear rheological tests, the modified ICP displayed higher flow activation energy, reduced values of loss tangent and nearly equal frequency dependence of storage and loss modulli. The modified ICP also showed strain hardening behaviour in uniaxial extensional rheology and higher crystallization temperature in differential scanning calorimetry (DSC). All these are definitive indications of the presence of long chain branches (LCB). Fitting the rheological data of modified ICPs with the eXtended Pom Pom (XPP) model indicated the presence of LCB on the higher molecular weight fraction in the polymer, a result which was corroborated with multi-detector high temperature gel permeation chromatography (HT-GPC). More importantly, the matrix and rubber phases of the ICP were separately characterized for presence of long chain branching by rheology, DSC and HT-GPC. The results indicate that while LCB existed in the matrix phase, microgels were present in both phases indicating that the reaction with peroxide occurred in both phases. POLYM. ENG. SCI., 55:1463-1474, 2015. (c) 2014 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.23993}, author = {Chikhalikar, Kalyani and Deshpande, Anushree and Pol, Harshawardhan and Dhoble, Deepa Arun and Jha, Saroj and Jadhav, Kishor and Mahajan, Sunil and Ahmad, Zubair and Kulkarni, Surendra and Gupta, Surendra and Lele, Ashish K.} } @article { ISI:000355656000013, title = {Low-temperature sintering and microwave dielectric properties of Zn2SiO4 ceramic added with crystalline zinc borate}, journal = {Journal of Electronic Materials}, volume = {44}, number = {7}, year = {2015}, month = {JUL}, pages = {2312-2320}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The physical and dielectric properties of composites of known microwave materials, Zn2SiO4 and Zn3B2O6, prepared by solid-state reaction, were investigated with the purpose of developing a low-loss dielectric material for low-temperature co-fired ceramic applications. An off-stoichiometric phase of Zn2SiO4 with extra SiO2 was used to avoid the occurrence of unreacted ZnO. During sintering, zinc borate was found to partially react with residual SiO2 to form Zn2SiO4. The residual zinc borate was converted to a boron-rich glassy phase which helped to reduce the sintering temperature of the composite. Good relative sintering density (\> 90\%) at temperatures below the melting temperature of zinc borate is indicative of a sintering mechanism of diffusion-based mass transfer. Composites containing 15 wt.\% zinc borate, 2.5 wt.\% lithium carbonate and 20 wt.\% zinc borate in zinc silicate had dielectric constants of 6.8 and 6.1, quality factors (Qxf) of 48,800 and 94,300 GHz when sintered at 900A degrees C and 950A degrees C, respectively. These quality factor results are close to the best values reported for zinc silicate at these sintering temperatures.

}, keywords = {dielectric constant, LTCC, quality factor, sintering density, zinc borate, zinc silicate}, issn = {0361-5235}, doi = {10.1007/s11664-015-3762-0}, author = {Chaware, Varsha and Deshmukh, Ravindra and Sarode, Chetan and Gokhale, Suresh and Phatak, Girish} } @article { ISI:000353360300017, title = {Manganese increases high mannose glycoform on monoclonal antibody expressed in cho when glucose is absent or limiting: implications for use of alternate sugars}, journal = {Biotechnology Progress}, volume = {31}, number = {2}, year = {2015}, month = {MAR-APR}, pages = {460-467}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Alternate sugars such as galactose and fructose are metabolized at a slower rate than glucose and result in lower accumulation of lactate. While low lactate accumulation is desirable, we report that complete substitution of glucose with these sugars results in an increase in M5 high mannose glycans. Surprisingly, this increase is much higher when the culture is supplemented with manganese: for example, when cells are cultured with galactose, M5 high mannose glycan content increased from 5\% at 1 nM Mn2+ in the basal medium to 32\% with 16 mu M Mn2+ supplementation. When galactose is supplemented with glucose maintained at low concentrations, a small reduction in high mannose glycans is seen. In control cultures with glucose, the high mannose content was however \<2\% in this range of Mn2+ concentration. By varying Mn2+ and glucose supplementation levels, with or without galactose, we systematically demonstrate that Mn2+ concentration and glucose availability, together, significantly affect the high mannose glycan content. To our knowledge, this is the first report that shows that the effect of Mn2+ on high mannose glycan content depends on glucose availability. At each Mn2+ supplementation level evaluated, galactosylation percentages were highest for cultures where galactose was supplemented with glucose at non-limiting concentration. (c) 2014 American Institute of Chemical Engineers Biotechnol. Prog., 31:460-467, 2015

}, keywords = {CHO, fructose, galactose, glucose, glycosylation, high-mannose glycan, manganese}, issn = {8756-7938}, doi = {10.1002/btpr.2029}, author = {Surve, Tanaya and Gadgil, Mugdha} } @article { ISI:000349848800001, title = {Mathematical modeling of combinatorial regulation suggests that apparent positive regulation of targets by miRNA could be an artifact resulting from competition for mRNA}, journal = {RNA-A Publication of the RNA Society}, volume = {21}, number = {3}, year = {2015}, month = {MAR}, pages = {307-319}, publisher = {COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT}, address = {1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA}, abstract = {

MicroRNAs bind to and regulate the abundance and activity of target messenger RNA through sequestration, enhanced degradation, and suppression of translation. Although miRNA have a predominantly negative effect on the target protein concentration, several reports have demonstrated a positive effect of miRNA, i.e., increase in target protein concentration on miRNA overexpression and decrease in target concentration on miRNA repression. miRNA-target pair-specific effects such as protection of mRNA degradation owing to miRNA binding can explain some of these effects. However, considering such pairs in isolation might be an oversimplification of the RNA biology, as it is known that one miRNA interacts with several targets, and conversely target mRNA are subject to regulation by several miRNAs. We formulate a mathematical model of this combinatorial regulation of targets by multiple miRNA. Through mathematical analysis and numerical simulations of this model, we show that miRNA that individually have a negative effect on their targets may exhibit an apparently positive net effect when the concentration of one miRNA is experimentally perturbed by repression/overexpression in such a multi-miRNA multitarget situation. We show that this apparent unexpected effect is due to competition and will not be observed when miRNA interact noncompetitively with the target mRNA. This result suggests that some of the observed unusual positive effects of miRNA may be due to the combinatorial complexity of the system rather than due to any inherently unusual positive effect of the miRNA on its target.

}, keywords = {combinatorial binding, mathematical model, miRNA, post-transcriptional regulation}, issn = {1355-8382}, doi = {10.1261/rna.046862.114}, author = {Nyayanit, Dimpal and Gadgil, Chetan J.} } @article { ISI:000359234100023, title = {M-Au/TiO2 (M = Ag, Pd, and Pt) nanophotocatalyst for overall solar water splitting: role of interfaces}, journal = {Nanoscale}, volume = {7}, number = {32}, year = {2015}, month = {JUL}, pages = {13477-13488}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

M-Au/TiO2 (M = Ag, Pd, Pt) composites were prepared through a facile one-pot photodeposition synthesis and evaluated for solar water splitting (SWS) with and without a sacrificial agent. The M-Au combination exhibits a dominant role in augmenting the H2 generation activity by forming a bi-metallic system. Degussa P25 was used as a TiO2 substrate to photodeposit Au followed by Au + M (M = Ag/Pd/Pt). The SWS activity of the M-Au/TiO2 was determined through photocatalytic H-2 production in the presence of methanol as a sacrificial agent under one sun conditions with an AM1.5 filter. The highest H-2 yield was observed for Pt-0.5-Au-1/TiO2 and was around 1.3 +/- 0.07 mmol h(-1) g(-1), with an apparent quantum yield (AQY) of 6.4\%. Pt-0.5-Au-1/TiO2 also demonstrated the same activity for 25 cycles of five hours each for 125 h. Critically, the same Pt-0.5-Au-1/TiO2 catalyst was active in overall SWS (OSWS) without any sacrificial agent, with an AQY = 0.8\%. The amount of Au and/or Pt was varied to obtain the optimum composition and it was found that the Pt0.5-Au1/TiO2 composition exhibits the best activity. Detailed characterization by physico-chemical, spectral and microscopy measurements was carried out to obtain an in-depth understanding of the origin of the photocatalytic activity of Pt-0.5-Au-1/TiO2. These in-depth studies show that gold interacts predominantly with oxygen vacancies present on titania surfaces, and Pt preferentially interacts with gold for an effective electron-hole pair separation at Pt-Au interfaces and electron storage in metal particles. The Pt in Pt-0.5-Au-1/TiO2 is electronically and catalytically different from the Pt in Pt/TiO2 and it is predicted that the former suppresses the oxygen reduction reaction.

}, issn = {2040-3364}, doi = {10.1039/c5nr03735b}, author = {Melvin, Ambrose A. and Illath, Kavya and Das, Tanmay and Raja, Thirumalaiswamy and Bhattacharyya, Somnath and Gopinath, Chinnakonda S.} } @article { ISI:000367118100023, title = {Mechanism of alcohol oxidation by Fe-V(O) at room temperature}, journal = {Inorganic Chemistry}, volume = {54}, number = {24}, year = {2015}, month = {DEC}, pages = {11792-11798}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{Selective oxidation of alcohol to its corresponding carbonyl compound is an important chemical process in biological as well as industrial reactions, The heme containing enzyme CytP450 has been known to selectively oxidize akohols to their corresponding carbonyl compounds. The mechanism of this reaction, which involves high-valent Fe-IV(O)-porphyrin(center dot+) intermediate with alcohol, has been well-studied extensively both with the native enzyme and with model complexes. In this paper, we report for the first time the mechanistic insight of, alcohol oxidation with Fe-V(O) complex of biuret TAML (bTAML), Which is isoelectronic with Fe-IV(O)-porphyrin(center dot+) intermediate form in CytP450. The oxidations displayed saturation kinetics, which allowed us to determine both the binding constants and first-order rate constants for the reaction. The K and k values observed for thel oxidation of benzyl alcohol by Fe-V(O) at room temperature (K = 300 M-1

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b01937}, author = {Ghosh, Munmun and Nikhil, Y. L. K. and Dhar, Basab B. and Sen Gupta, Sayam} } @article { ISI:000357705800012, title = {Mechanism of oxygen atom transfer from Fe-V(O) to olefins at room temperature}, journal = {Inorganic Chemistry}, volume = {54}, number = {13}, year = {2015}, month = {JUL}, pages = {6112-6121}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In biological oxidations, the intermediate Fe-V(0)(OH) has been proposed to be the active species for catalyzing the epoxidation of alkenes by nonheme iron complexes. However, no study has been reported yet that elucidates the mechanism of direct O-atom transfer during the reaction of Fe-V(0) with alkenes to form the corresponding epoxide. For the first time, we study the mechanism of O-atom transfer to alkenes using the Fe-V(0) complex of biuret-modified Fe-TAML at room temperature. The second-order rate constant (k(2)) for the reaction of different alkenes with Fe-V(0) was determined under single-turnover conditions. An 8000-fold rate difference was found between electron-rich (4-methoxystyrene; k(2) = 216 M-1 s(-1)) and electron-deficient (methyl transcinnamate; k(2) = 0.03 M-1 s(-1)) substrates. This rate difference indicates the electrophilic character of Fe-V(0). The use of cis-stilbene as a mechanistic probe leads to the formation of both cis- and trans-stilbene epoxides (73:27). This suggests the formation of a radical intermediate, which would allow C-C bond rotation to yield both stereoisomers of stilbene-epoxide. Additionally, a Hammett rho value of -0.56 was obtained for the para-substituted styrene derivatives. Detailed DFT calculations show that the reaction proceeds via a two-step process through a doublet spin surface. Finally, using biuret-modified Fe-TAML as the catalyst and NaOCl as the oxidant under catalytic conditions epoxide was formed with modest yields and turnover numbers.

}, issn = {0020-1669}, doi = {10.1021/ic503053q}, author = {Singh, Kundan K. and Tiwari, Mrityunjay K. and Dhar, Basab B. and Vanka, Kumar and Sen Gupta, Sayam} } @article { ISI:000357438200013, title = {Metabolic profiling of chickpea-Fusarium interaction identifies differential modulation of disease resistance pathways}, journal = {Phytochemistry}, volume = {116}, year = {2015}, month = {AUG}, pages = {120-129}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Chickpea is the third most widely grown legume in the world and mainly used as a vegetarian source of human dietary protein. Fusarium wilt, caused by Fusarium oxysporum f. sp. ciceri (Foc), is one of the major threats to global chickpea production. Host resistance is the best way to protect crops from diseases; however, in spite of using various approaches, the mechanism of Foc resistance in chickpea remains largely obscure. In the present study, non-targeted metabolic profiling at several time points of resistant and susceptible chickpea cultivars using high-resolution liquid chromatography-mass spectrometry was applied to better understand the mechanistic basis of wilt resistance or susceptibility. Multivariate analysis of the data (OPLS-DA) revealed discriminating metabolites in chickpea root tissue after Foc inoculation such as flavonoids, isoflavonoids, alkaloids, amino acids and sugars. Foc inoculated resistant plants had more flavonoids and isoflavonoids along with their malonyl conjugates. Many antifungal metabolites that were induced after Foc infection viz, aurantion-obstine beta-glucosides and querecitin were elevated in resistant cultivar. Overall, diverse genetic and biochemical mechanisms were operational in the resistant cultivar for Foc defense as compared to the susceptible plant. The resistant chickpea plants employed the above-mentioned metabolic pathways as potential defense strategy against Foc. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Chickpea, Fusarium wilt, LC-MS, Metabolomics, OPLS-DA, Phytoalexin}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2015.04.001}, author = {Kumar, Yashwant and Dholakia, Bhushan B. and Panigrahi, Priyabrata and Kadoo, Narendra Y. and Giri, Ashok P. and Gupta, Vidya S.} } @article { ISI:000354213400020, title = {Modular synthesis of dihydroxyacetone monoalkyl ethers and isosteric 1-hydroxy-2-alkanones}, journal = {European Journal of Organic Chemistry}, number = {13}, year = {2015}, month = {MAY}, pages = {2960-2964}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Straightforward methods for the efficient, systematic preparation of libraries of the title compound classes have been evaluated. A general and efficient modular route to dihydroxyacetone monoethers was developed based on trityl glycidol, which, through epoxide opening, oxidation, and deprotection, provided variously alkylated ethers by three routine operations in good overall yields (eight examples, 24-59\%). The preparation of structurally related 1-hydroxyalkanones depends on the availability of the most economic starting materials and on their physicochemical properties. Thus, the most practical one-step approaches consisted of the sec-selective oxidation of short-chain 1,2-diols (\<= C-6) using NaOCl, and the direct ketohydroxylation of 1-alkenes (\>= C-6) using buffered stoichiometric KMnO4 or catalytic RuO4 with reoxidation by oxone, for which mostly good overall yields were achieved on a multigram scale (nine examples, 15-78\%).

}, keywords = {Alkylation, Hydroxylation, Ketones, Oxidation, Oxygenation, Regioselectivity, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.201403695}, author = {Gueclue, Deniz and Rale, Madhura and Fessner, Wolf-Dieter} } @article {43002, title = {Molecular docking and QSAR analyses for understanding the antimalarial activity of some 7-substituted-4-aminoquinoline derivatives}, journal = {European Journal of Pharmaceutical Sciences}, volume = {77}, year = {2015}, month = {SEP}, pages = {9-23}, abstract = {

The quinoline moiety is one of the widely studied scaffolds for generating derivatives with various pharmacophoric groups due to its potential antimalarial activities. In the present study, a series of 7-substituted-4-aminoquinoline derivatives were selected to understand their antimalarial properties computationally by molecular modeling techniques including 2D QSAR, comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA) and molecular docking. The 2D-QSAR model built with four descriptors selected by genetic algorithm technique and CoMFA model showed satisfactory statistical results (Q(2) = 0.540, R-ncv(2) = 0.881, F value = 157.09). A reliable CoMSIA model out of the fourteen different combinations has a Q(2) value of 0.638. The molecular docking studies of the compounds for 1CET as the protein target revealed that ten compounds showed maximum interactions with the binding site of the protein. The present study highlights the unique binding signatures of the ligands within the active site groove of the target and it explains the subtle differences in their EC50 values and their mechanism of inhibition. (C) 2015 Elsevier B.V. All rights reserved.

}, doi = {10.1016/j.ejps.2015.05.025}, author = {Shibi, I. G. and Aswathy, L. and Jisha, Radhakrishnan S. and Masand, Vijay H. and Divyachandran, A. and Gajbhiye, J. M.} } @article { ISI:000363167000007, title = {Molecular Fe-complex as a catalyst probe for in-gel visual detection of proteins via signal amplification}, journal = {Chemical Communications}, volume = {51}, number = {83}, year = {2015}, month = {JUL}, pages = {15257-15260}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report the use of a molecular peroxidase mimic biuret-Fe-TAML for chemoselective labeling of proteins and the subsequent visual detection (\<0.1 pmoles) of the conjugate in a polyacrylamide gel by catalytic signal amplification. Use of this probe in activity based protein profiling (ABPP) of serine proteases is also demonstrated.

}, issn = {1359-7345}, doi = {10.1039/c5cc04399a}, author = {Kumari, Sushma and Panda, Chakadola and Mazumdar, Shyamalava and Sen Gupta, Sayam} } @article { ISI:000364830000010, title = {Molecular mechanism underlying recruitment and insertion of lipid-anchored LC3 protein into membranes}, journal = {Biophysical Journal}, volume = {109}, number = {10}, year = {2015}, month = {NOV}, pages = {2067-2078}, publisher = {CELL PRESS}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, abstract = {

Lipid modification of cytoplasmic proteins initiates membrane engagement that triggers diverse cellular processes. Despite the abundance of lipidated proteins in the human proteome, the key determinants underlying membrane recognition and insertion are poorly understood. Here, we define the course of spontaneous membrane insertion of LC3 protein modified with phosphatidylethanolamine using multiple coarse-grain simulations. The partitioning of the lipid anchor chains proceeds through a concerted process, with its two acyl chains inserting one after the other. Concurrently, a conformational rearrangement involving the alpha-helix III of LC3, especially in the three basic residues Lys(65), Arg(68), and Arg(69), ensures stable insertion of the phosphatidylethanolamine anchor into membranes. Mutational studies validate the crucial role of these residues, and further live-cell imaging analysis shows a substantial reduction in the formation of autophagic vesicles for the mutant proteins. Our study captures the process of water-favored LC3 protein recruitment to the membrane and thus opens, to our knowledge, new avenues to explore the cellular dynamics underlying vesicular trafficking.

}, issn = {0006-3495}, doi = {10.1016/j.bpj.2015.09.022}, author = {Thukral, Lipi and Sengupta, Durba and Ramkumar, Amrita and Murthy, Divya and Agrawal, Nikhil and Gokhale, Rajesh S.} } @article { ISI:000362436800075, title = {Mono- and binuclear palladacycles via regioselective C-H bond activation: syntheses, mechanistic insights and catalytic activity in direct arylation of azoles}, journal = {RSC Advances}, volume = {5}, number = {99}, year = {2015}, month = {SEP}, pages = {81502-81514}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{Regioselective C-H bond palladation of the hybrid pincer-type ligands, 3-R2PO-C6H4-1-(CH2NPr2)-Pr-i [(POCNiPr2)-P-R2-H; R = Ph (1a)

}, issn = {2046-2069}, doi = {10.1039/c5ra18289a}, author = {Pandey, Dilip K. and Khake, Shrikant M. and Gonnade, Rajesh G. and Punji, Benudhar} } @article { ISI:000363668200036, title = {Multifaceted core-shell nanoparticles: superparamagnetism and biocompatibility}, journal = {New Journal of Chemistry}, volume = {39}, number = {11}, year = {2015}, month = {AUG}, pages = {8513-8521}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

NicoreAgshell nanoparticles were synthesized by redox transmetallation reaction. Reduction potential match was encouraging to attempt the synthesis of the NicoreAushell system too. However, it could be achieved only after an effective surface modification on the Ni-core. Thorough characterization (UV-Vis spectroscopy, fluorescence spectroscopy, XRD, XPS, FTIR, TEM, and EDX) proved the necessity of surface modification and the success of synthesis of both types of core-shell structures. The chemical composition and topography were determined using STEM-HAADF analysis and EFTEM imaging. Fourier transform infrared (FTIR) spectroscopy confirmed the surface modification of Ni nanoparticles and the interactions involved between the ligands and metals (in the core and/or the shell) at various steps of the synthetic process. Even after the formation of the noble metal shell, the magnetic core was found to retain its superparamagnetic nature. In addition, the Au-shell protected the core from aerial oxidation and decreased toxicity as compared to pristine Ni nanoparticles as observed by MTT assay on normal cells (PBMCs).

}, issn = {1144-0546}, doi = {10.1039/c5nj01481f}, author = {Sardar, Debasmita and Neogi, S. K. and Bandyopadhyay, Sanjoy and Satpati, Biswarup and Ahir, Manisha and Adhikary, Arghya and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000361559700081, title = {N-(3-Aminoalkyl)proline derivatives with potent antigycation activity}, journal = {RSC Advances}, volume = {5}, number = {94}, year = {2015}, month = {SEP}, pages = {77332-77340}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c5ra12148e}, author = {Chilukuri, Harsha and Kolekar, Yogesh M. and Bhosle, Govind S. and Godbole, Rashmi K. and Kazi, Rubina S. and Kulkarni, Mahesh J. and Fernandes, Moneesha} } @article { ISI:000365530700031, title = {Nanocrystalline Fe-Fe2O3 particle-deposited N-doped graphene as an activity-modulated Pt-free electrocatalyst for oxygen reduction reaction}, journal = {Nanoscale}, volume = {7}, number = {47}, year = {2015}, month = {OCT}, pages = {20117-20125}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The size-controlled growth of nanocrystalline Fe-Fe2O3 particles (2-3 nm) and their concomitant dispersion on N-doped graphene (Fe-Fe2O3/NGr) could be attained when the mutually assisted redox reaction between NGr and Fe3+ ions could be controlled within the aqueous droplets of a water-in-oil emulsion. The synergistic interaction existing between Fe-Fe2O3 and NGr helped the system to narrow down the overpotential for the oxygen reduction reaction (ORR) by bringing a significant positive shift to the reduction onset potential, which is just 15 mV higher than its Pt-counterpart. In addition, the half-wave potential (E-1/2) of Fe-Fe2O3/NGr is found to be improved by a considerable amount of 135 mV in comparison to the system formed by dispersing Fe-Fe2O3 nanoparticles on reduced graphene oxide (Fe-Fe2O3/RGO), which indicates the presence of a higher number of active sites in Fe-Fe2O3/NGr. Despite this, the ORR kinetics of Fe-Fe2O3/NGr are found to be shifted significantly to the preferred 4-electron-transfer pathway compared to NGr and Fe-Fe2O3/RGO. Consequently, the H2O2\% was found to be reduced by 78.3\% for Fe-Fe2O3/NGr (13.0\%) in comparison to Fe-Fe2O3/RGO (51.2\%) and NGr (41.0\%) at -0.30 V (vs. Hg/HgO). This difference in the yield of H2O2 formed between the systems along with the improvements observed in terms of the oxygen reduction onset and E-1/2 in the case of Fe-Fe2O3/NGr reveals the activity modulation achieved for the latter is due to the coexistence of factors such as the presence of the mixed valancies of iron nanoparticles, small size and homogeneous distribution of Fe-Fe2O3 nanoparticles and the electronic modifications induced by the doped nitrogen in NGr. A controlled interplay of these factors looks like worked favorably in the case of Fe-Fe2O3/NGr. As a realistic system level validation, Fe-Fe2O3/NGr was employed as the cathode electrode of a single cell in a solid alkaline electrolyte membrane fuel cell (AEMFC). The system could display an open circuit voltage (OCV) of 0.73 V and maximum power and current densities of 54.40 mW cm(-2) and 200 mA cm(-2), respectively, which are comparable to the performance characteristics of a similar system derived by using 40 wt\% Pt/C as the cathode electrode.

}, issn = {2040-3364}, doi = {10.1039/c5nr04929f}, author = {Dhavale, Vishal M. and Singh, Santosh K. and Nadeema, Ayasha and Gaikwad, Sachin S. and Kurungot, Sreekumar} } @article { ISI:000363163200048, title = {Nanostructured 2D MoS2 honeycomb and hierarchical 3D CdMoS4 marigold nanoflowers for hydrogen production under solar light}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {42}, year = {2015}, month = {SEP}, pages = {21233-21243}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2050-7488}, doi = {10.1039/c5ta04617c}, author = {Kadam, Sunil R. and Late, Dattatray J. and Panmand, Rajendra P. and Kulkarni, Milind V. and Nikam, Latesh K. and Gosavi, Suresh W. and Park, Chan J. and Kale, Bharat B.} } @article { ISI:000360658000003, title = {New imaging reagents for lipid dense regions in live cells and the nucleus in fixed MCF-7 cells}, journal = {Journal of Materials Chemistry B}, volume = {3}, number = {36}, year = {2015}, month = {AUG}, pages = {7177-7185}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2050-750X}, doi = {10.1039/c5tb01309g}, author = {Ramu, Vadde and Ali, Firoj and Taye, Nandaraj and Garai, Bikash and Alam, Aftab and Chattopadhyay, Samit and Das, Amitava} } @article {42434, title = {N-Heterocyclic carbene-catalyzed diastereoselective synthesis of β-lactone-fused cyclopentanes using homoenolate annulation reaction}, journal = {Chemical Communications}, volume = {51}, year = {2015}, month = {MAY}, pages = {9559-9562}, abstract = {

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

}, doi = {10.1039/C5CC02960K}, author = {Mukherjee, Subrata and Mondal, Santigopal and Patra, Atanu and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000367421500014, title = {Novel 2,6-diformyl-4-methyl phenol based chemosensor for Zn-II ion by ratiometric displacement of Cd-II ion and its application for cell imaging on human melanoma cancer cells}, journal = {Journal of the Indian Chemical Society}, volume = {92}, number = {11}, year = {2015}, month = {NOV}, pages = {1729-1745}, publisher = {SCIENTIFIC PUBL-INDIA}, address = {5-A, NEW PALI RD, PO BOX 91, NEAR HOTEL TAJ HARI MAHAL, JODHPUR, 342 003, INDIA}, abstract = {

A new chelating ligand [4-methyl-2,6-bis-(pyridin-2-yl-hydrazonomethyl)-phenol] (1) was prepared by the condensation of 2-hydrazinylpyridine with 2,6-diformyl-p-cresol. Compound 1 exhibits weak fluorescence due to intramolecular photoinduced electron transfer (PET). The sensor (1) demonstrates Zn2+-specific emission enhancement due to {\textquoteleft}{\textquoteleft}PET off{\textquoteright}{\textquoteright} process through a 1 : 1 binding mode with the metal ion. The fluorescence quantum yield of the chemosensor 1 is only 0.020, and it increases more than 14-fold (0.280) in the presence of one equivalent of the zinc ion. Interestingly, the introduction of other metal ions causes the fluorescence intensity to remain either unchanged or weakened except for Cd2+. Ratiometric displacement of Cd2+ ion from the complex by Zn2+ ion supports the formation of more stable sensor-Zn2+ complex over the sensor-Cd2+ complex. The experimental findings have been correlated with theoretical results using B3LYP functional and 6-31G(d,p), LANL2DZ basis set for Cd2+ (2) and Zn2+ (3) complex, respectively, by Density Functional Theory (DFT) method. Moreover, the ability of probe 1 to sense Zn2+ within human melanoma cancer cells has been explored, and the Zn2+-probing process in living cells was reversible. [Mn-2(PHMP)(2)](ClO4)(2) (4) and [Ni-2(PHMP)(H2O)(5)](NO3)(3) (5) have been also synthesized and characterized crystallographically and spectroscopically to understand the ligating behavior of the ligand PHMP.

}, keywords = {Cd-II ion, Chemosensor, Density functional theory, human melanoma cancer cells, photoinduced electron transfer, Zn-II ion}, issn = {0019-4522}, author = {Mitra, Debarshan and Venkatathari, N. and Sabharwal, S. C. and Godbole, S. V. and Tyagi, A. K. and Das, Sangbrita} } @article { ISI:000362436800028, title = {Novel one-pot multi-component synthesis of 3,3 {\textquoteleft}-disubstituted oxindole and spirooxindole scaffolds via Sn-catalyzed C(sp(3))-H functionalization of azaarenes by sequential Knoevenagel-Michael-cyclization reaction}, journal = {RSC Advances}, volume = {5}, number = {99}, year = {2015}, month = {SEP}, pages = {81103-81107}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c5ra16334j}, author = {Chavan, Santosh S. and Pathan, Mohsinkhan Y. and Thorat, Shridhar H. and Gonnade, Rajesh G. and Mulla, Shafeek Abdul Rashid} } @article {43056, title = {Nucleophilic fluorination using imidazolium based ionic liquid bearing tert-alcohol moiety}, journal = {New Journal of Chemistry}, volume = {39}, year = {2015}, month = {MAR}, pages = {4368-4374}, doi = {10.1039/C5NJ00481K}, author = {Shinde, Sandip S. and Patil, Sunil N. and Ghatge, Amruta and Kumar, Pradeep} } @article { ISI:000355702900086, title = {One-pot synthesis of 2-thenoyltrifluoroacetone surface functionalised SrF2:Eu3+ nanoparticles: trace level detection of water}, journal = {RSC Advances}, volume = {5}, number = {58}, year = {2015}, month = {MAY}, pages = {47131-47139}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This work reports the one pot synthesis of 2-thenoyltrifluoroacetone (TTA) surface functionalised SrF2:Eu3+ nanoparticles. The nanoparticles were characterised by X-ray diffraction (XRD), infra-red (IR), UV-absorption, transmission electron microscopy (TEM), and photoluminescence studies. Sensitization of Eu3+ ion by TTA in SrF2 nanoparticle matrix gives an enhanced luminescence in dry aprotic solvents like tetrahydrofuran (THF), acetonitrile (AN), dichloromethane (DCM) etc. We studied the effect of trace quantity of water on luminescence of the particles in THF solvent. Even a trace level of water content in the solvent is able to quench the luminescence significantly and quenching enhances with addition of more and more water. This approach of luminescence quenching strategy of detecting a minute trace level of water molecules has a potential application in the estimation of water in various dry organic solvents like THF.

}, issn = {2046-2069}, doi = {10.1039/c5ra08566g}, author = {Ghosh, Debasish and Luwang, Meitram Niraj} } @conference {45948, title = {Optimisation of parameters affecting the performance of single compartment CEDI unit}, booktitle = {1ST International Conference on Computing Communication Control and Automation ICCUBEA 2015 }, year = {2015}, month = {MAR}, publisher = {Savitribai Phule Pune University; Indian Society for Technical Education; Quality Circle Forum of India; Pimpri Chinchwad College of Engineering; IEEE Pune Section}, organization = {Savitribai Phule Pune University; Indian Society for Technical Education; Quality Circle Forum of India; Pimpri Chinchwad College of Engineering; IEEE Pune Section}, address = {345 E 47TH ST, NEW YORK, NY 10017 USA}, abstract = {

The present work describes the production of the ultrapure water using Continuous Electro-deionization (CEDI) method. TheCEDI unit consist of ion exchange membranes, Mixed Bed-12 (MB-12) ion exchange resin and electrodes to remove ion impurities from feed water. The product water from the RO unit is supplied to the CEDI unit. The Quality of the ultra-pure water is determined by the amount of ions present in the water. Higher quality of Ultra-pure water is obtained when the maximum number of ions is transferred through the membranes. The Parameters affecting the performance of the CEDI unit are identified and optimized for maximum ions exchange. Inorder to reduce the number of experimentsTaguchi method was used for optimisation of operating parameters. An orthogonal L array (three factor and three level) was employed to evaluate the effect of feed concentration (35,40and 45 ppm), Flow rate (8, 9 and 10 LPH) and voltage (22, 23, 24 volts). Thus it was observed that increasing the applied voltage anddecreasing the waterflow rateincreases the number of ions transfers through the membrane. However, decreasing water flow rate has certain limits as it decreases the production capacity of the unit. Also it is observed that decreasing the ions in the feed water decreases the overall transfer of ions.

}, keywords = {Continuous Electro-deionization, Ion Exchange membranes, Optimisation, Taguchi method, Ultrapure Water}, isbn = {978-1-4799-6892-3}, doi = {10.1109/ICCUBEA.2015.101}, author = {Thorat, Prathamesh P. and Desale, G. R. and Gajjal, S. Y. and Patil, Sagar R.} } @article { ISI:000361116500070, title = {Oxidative and membrane stress-mediated antibacterial activity of WS2 and rGO-WS2 nanosheets}, journal = {RSC Advances}, volume = {5}, number = {91}, year = {2015}, month = {AUG}, pages = {74726-74733}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Graphene-based materials have strong cytotoxic attributes against bacteria due to their unique physicochemical properties. We examined the antibacterial activities of nanosheets of the graphene analogue tungsten disulphide (WS2) and a composite of reduced graphene oxide-tungsten disulphide (rGO-WS2), comparing them with reduced graphene oxide (rGO) by a time and concentration dependent viability assay and growth curve studies against four bacterial strains: Gram negative Escherichia coli (E. coli) and Salmonella typhimurium (S. typhimurium), and Gram positive Bacillus subtilis (B. subtilis) and Staphylococcus epidermidis (S. epidermidis). The nanosheets of the rGO-WS2 composite caused a more significant retardation in bacterial growth and inhibitory effect on the tested bacterial strains than WS2, followed by rGO. The tested E. coli and B. subtilis strains were more susceptible than the other strains. A mechanistic study revealed that rGO and WS2 did not produce the superoxide anion (O-2(-)) or reactive oxygen species (ROS), but the nanocomposite of rGO-WS2 did produce both. However, all these materials did oxidize glutathione, which serves as a redox state mediator in bacteria. We conclude that the antimicrobial mechanism is due to the combined effect of initial cell deposition on the rGO-WS2 materials, the membrane stress due to direct contact with the nanosheets, and the produced superoxide anion-independent oxidation mechanisms. The beneficial aspects of the physicochemical properties of rGO-WS2, such as its size and conductivity, can be precisely customized to reduce its health and environmental risk factors.

}, issn = {2046-2069}, doi = {10.1039/c5ra15652a}, author = {Navale, Govinda R. and Rout, Chandra Sekhar and Gohil, Kushal N. and Dharne, Mahesh S. and Late, Dattatray J. and Shinde, Sandip S.} } @article { ISI:000348144100049, title = {p-Aminobenzoic acid (pABA) sensitization of LaF3:Tb3+ nanoparticles and its applications in the detection of explosive materials}, journal = {RSC Advances}, volume = {5}, number = {14}, year = {2015}, month = {JAN}, pages = {10468-10478}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This work reports the utilization of water dispersible terbium (Tb3+) doped spherical LaF3 nanoparticles (similar to 5 nm) surface functionalised with p-aminobenzoic acid (pABA) for the detection of aromatic nitro explosives. The functionalised nanoparticles show remarkable sensitivity to a number of highly electron deficient aromatic nitro compounds like picric acid (PA), 2,4,6-trinitrotoluene (TNT), 2,4-dinitrotoluene (2,4-DNT), 2,4-dinitrophenol (2,4-DNP) etc. All of these nitro compounds can be detected easily at ppm level using this luminescence quenching technique whereas in the case of TNT it can detect concentrations as low as 50 ppb. This novel approach of utilising the Tb3+ doped NPs sensitised by pABA has potential application in the detection of explosive materials.

}, issn = {2046-2069}, doi = {10.1039/c4ra15304a}, author = {Ghosh, Debasish and Luwang, Meitram Niraj} } @article { ISI:000349669300018, title = {Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {8}, year = {2015}, month = {DEC}, pages = {2323-2329}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The inner-rim functionalization of CTV has been examined by employing Pd-catalyzed benzylic oxidation. The outcome of the oxidation depends upon the solvent and co-oxidants employed. An interesting array of CTV derivatives has been synthesized with a simple change in the conditions.

}, issn = {1477-0520}, doi = {10.1039/c4ob02469a}, author = {Senthilkumar, B. and Gonnade, Rajesh G. and Ramana, C. V.} } @article { ISI:000357933400054, title = {Perturbative order analysis of the similarity transformed hamiltonian in fock-space coupled cluster theory: difference energy and electric response properties}, journal = {Molecular Physics}, volume = {113}, number = {13-14, SI}, year = {2015}, month = {JUL}, pages = {2046-2060}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

A perturbative analysis of the ground-state similarity transformed Hamiltonian and its effect on the various Fock-space coupled cluster (FSCC) sectors is presented through calculation of ionisation potential, electron affinity, excitation energies and response properties. Various truncation schemes of the effective Hamiltonian are presented with explicit form of the defining equations. Based on such a truncation, the approximate methods are labelled as FSCC(n), where n represents the correlation energy of the ionised, electron attached or excited states corrected at least up to nth order within coupled cluster singles and doubles scheme (CCSD). A lower scaling CC2 type of approach (abbreviated as FS-CC2) is compared against the group of FSCC(n) methods for energies. Electric response properties have been compared and contrasted for the two lower scaling methods: FSCC(2) and FS-CC2. The various truncated methods are tested for a number of small molecules. The results obtained from a range of truncated methods are compared against full FSCCSD calculations.

}, keywords = {electric response properties, Fock space, perturbative order, similarity transformed Hamiltonian}, issn = {0026-8976}, doi = {10.1080/00268976.2015.1059509}, author = {Bhattacharya, Debarati and Dutta, Achintya Kumar and Gupta, Jitendra and Pal, Sourav} } @article { ISI:000355786500005, title = {Phosphonated USY, a promising catalyst for the development of environmentally benign biodiesel (methyl acetate) process}, journal = {Journal of Energy Chemistry}, volume = {24}, number = {3}, year = {2015}, month = {MAY}, pages = {285-290}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The present study focuses on the evaluation of the potential applicability of Ultra Stable Y (USY) and phosphonated USY (1 wt\%-4 wt\% phosphorous loading) as heterogeneous catalysts for biodiesel (methyl acetate) production. The synthesized catalysts were characterized by powder X-ray diffraction (XRD), Brunaer-Emmett-Teller (BET) surface area, total acidity by temperature-programmed desorption of ammonia (TPD-NH3) and Fourier Transform Infrared (FTIR) spectra. The performances of catalysts were evaluated for the transesterification of butyl acetate with methanol (a model reaction in biodiesel production). In view to obtain a maximum yield of methyl acetate, the optimization of process parameters such as reactant molar ratio, catalyst loading, reaction temperature and reaction time was performed. All the phosphonated USY catalysts showed higher catalytic activity than the parent USY, which can be attributed to the increase of total acidity due to phosphonation. 2 wt\% P/USY (2\% phosphorous loaded on USY) exhibited 92\% methyl acetate yield with 100\% selectivity, which was proved to be a potential catalyst for biodiesel production. The invented catalyst was found to be stable and reusable for five catalytic cycles, demonstrating that it might be a environmentally benign catalytic process.

}, keywords = {Biodiesel, methyl acetate, phosphonated USY, transesterification}, issn = {2095-4956}, doi = {10.1016/S2095-4956(15)60313-8}, author = {Nandiwale, Kakasaheb Y. and Gopal, Gahana C. and Bokade, Vijay V.} } @article { ISI:000348922100005, title = {Photo-responsive pseudorotaxanes and assemblies}, journal = {Chemical Society Reviews}, volume = {44}, number = {3}, year = {2015}, month = {DEC}, pages = {663-676}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Chemists have achieved a predictable control over various non-covalent interactions and have used these weak interactions in their favour for developing a plethora of intricate functional structures. In this tutorial review we have summarized reports on such supramolecular structures that describe the rational approach in designing host and/or guest components, tagged with an appropriate fluorophore, for achieving the modified optical responses on formation of an assembly. This has relevance for designing new photo-responsive smart or adaptive stimuli responsive functional materials, self- healable materials, with interesting photo-physical property. These are also important in the area of supramolecular chemistry and biophysical chemistry in predicting the relative conformation in solution.

}, issn = {0306-0012}, doi = {10.1039/c4cs00295d}, author = {Mandal, Amal Kumar and Gangopadhyay, Monalisa and Das, Amitava} } @article { ISI:000365205000004, title = {Pore surface engineering in porous, chemically stable covalent organic frameworks for water adsorption}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {47}, year = {2015}, month = {NOV}, pages = {23664-23669}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we have explored the possibility of a class of covalent organic frameworks (COFs) as water adsorbing materials. We have selected, synthesized 12 chemically stable functionalized Schiff base COFs and thoroughly studied their water uptake behaviour. Further, a deep understanding was developed with these COFs towards the effects of condensation pressure of water and hydrophilic/hydrophobic groups present in the COF pores on water absorption capacity and ultimately, their recyclability. Among all reported COFs, TpPa-1 shows the highest water uptake of 30 wt\% (368 cm(3) g(-1); 17 mmol g(-1)) at P/P-0 = 0.3, which is also comparable with the recently reported carbon materials and few well known MOFs. This study also reveals that the overall water uptake of COFs can be tuned systematically based on chemical functionality and pore size in a wider window of relative pressures.

}, issn = {2050-7488}, doi = {10.1039/c5ta07998e}, author = {Biswal, Bishnu P. and Kandambeth, Sharath and Chandra, Suman and Shinde, Digambar Balaji and Bera, Saibal and Karak, Suvendu and Garai, Bikash and Kharul, Ulhas K. and Banerjee, Rahul} } @article {45926, title = {Potential applications of glucosyltransferases in terpene glucoside production: impacts on the use of aroma and fragrance}, journal = {Applied Microbiology and Biotechnology}, volume = {99}, year = {2015}, month = {JAN}, pages = {165-174}, type = {Article}, abstract = {

The detection of glucoconjugated forms of monoterpene alcohols in rose petals in the late 1960s opened the new field of nonvolatile aroma precursors in flavor research. It is now well established that odorless glycosides represent a significant pool of aroma precursors in plants where they act as preformed but inactivated defense or attractive chemicals. Technical improvements in the separation and identification of plant secondary metabolites have provided a multitude of chemical structures, but functional characterization of glycosyltransferases that catalyze their formation lags behind. As technical efforts and costs for DNA sequencing dramatically dropped during the last decade, the number of plant genome sequences increased significantly, thus providing opportunities to functionally characterize the glycosyltransferase gene families in plants. These studies yielded the first glycosyltransferase genes that encode efficient biocatalysts for the production of monoterpene glucosides. They have applications in the food, feed, chemical, cosmetic, and pharmaceutical industries as slow release aroma chemicals.

}, issn = {0175-7598}, doi = {10.1007/s00253-014-6229-y}, author = {Schwab, Wilfried and Fischer, Thilo C. and Giri, Ashok and Wuest, Matthias} } @article { ISI:000356370500002, title = {Preferential enrichment of DL-leucine using cocrystal formation with oxalic acid under nonequilibrium crystallization conditions}, journal = {Chirality}, volume = {27}, number = {7}, year = {2015}, month = {JUL}, pages = {405-410}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

By utilizing the preferential enrichment (PE) technique, we achieved an improved enantiomeric resolution of DL-leucine (Leu) using a 1:1 cocrystal (DL-1) of DL-Leu and oxalic acid. The crystal structure analysis of DL-1 indicated the occurrence of a novel type of phase transition and subsequent preferential redissolution of one enantiomer from the resulting crystals into solution. Chirality 27:405-410 2015. (c) 2015 Wiley Periodicals, Inc.

}, keywords = {chiral resolution, cocrystal formation, leucine, phase transition, preferential enrichment}, issn = {0899-0042}, doi = {10.1002/chir.22431}, author = {Manoj, Kochunnoonny and Takahashi, Hiroki and Morita, Yoko and Gonnade, Rajesh G. and Iwama, Sekai and Tsue, Hirohito and Tamura, Rui} } @article { ISI:000364032500052, title = {Preparation of mesoporous titanosilicate with isolated Ti active centers for cyclohexene oxidation}, journal = {RSC Advances}, volume = {5}, number = {112}, year = {2015}, month = {OCT}, pages = {92371-92377}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report the preparation of mesoporous titanosilicate with active Ti centres using CTAB as the structure directing agent and ethylenediamine as the complexing agent (TSC-ED). The finalmaterial contained isolated Ti4+ centres substituting Si4+ in the mesoporous silica framework. The crucial role played by ethylenediamine in complexing with Ti4+ during the sol-gel process and preventing the phase segregation of TiO2 was studied systematically. The textural parameters, structural order, morphology, nature and co-ordination of Ti species were analyzed using various techniques such as X-ray diffraction (XRD), UV-vis diffused reflectance spectroscopy (UV-vis DRS), UV resonance Raman spectroscopy, Fourier transformed Infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FESEM), transition electron microscopy (TEM), and X-ray photoelectron spectroscopy. Finally, the catalysts were tested for catalytic activity in the oxidation of cyclohexene using various oxidants.

}, issn = {2046-2069}, doi = {10.1039/c5ra18044a}, author = {Gupta, S. and Vinod, C. P. and Jagadeesan, Dinesh} } @article { ISI:000349556700067, title = {Process optimization by response surface methodology for transesterification of renewable ethyl acetate to butyl acetate biofuel additive over borated USY zeolite}, journal = {RSC Advances}, volume = {5}, number = {22}, year = {2015}, month = {JAN}, pages = {17109-17116}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Butyl acetate, a renewable biofuel additive was synthesized by transesterification of butanol with ethyl acetate via a renewable and sustainable route. Use of fermentation derived bio-butanol and bio-ethyl acetate for synthesis of butyl acetate would be a more advantageous route over conventional Fischer Esterification. For the first time, a heterogeneous zeolite catalyst such as Ultra Stable Y (USY) and its modified versions obtained by borating on parent USY were used for the synthesis of butyl acetate. Response surface methodology (RSM) was employed to optimize the process parameters for transesterification of butanol with ethyl acetate over a 4\% (w/w) B-USY catalyst. The influence of three crucial process variables such as catalyst loading, molar ratio, and reaction temperature on yield of butyl acetate were addressed by Box-Behnken experimental design (BBD). 4\% (w/w) B-USY was proved to be a potential catalyst with 96\% yield of butyl acetate at optimum process parameters. The 4\% (w/w) B-USY catalyst was found to be reusable for 6 catalytic cycles.

}, issn = {2046-2069}, doi = {10.1039/c4ra14771e}, author = {Nandiwale, Kakasaheb Y. and Galande, Nitish D. and Bokade, Vijay V.} } @article { ISI:000355940900018, title = {Production of polyunsaturated fatty acids in recombinant lipomyces starkeyi through submerged fermentation}, journal = {Bioprocess and Biosystems Engineering}, volume = {38}, number = {7}, year = {2015}, month = {JUL}, pages = {1407-1414}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Long chain polyunsaturated fatty acids (LCPUFA) are known to play an important role in human health and nutrition. Considering the limitation of LCPUFA sources, it is necessary to search new avenues for their production. Oleaginous yeasts are an attractive target for harvesting single cell oil, mainly because of the ease of cultivation with cheaper raw material. Lipomyces starkeyi is one such oleaginous yeast, which can accumulate oil to the extent of 60 \% of its biomass and where genetic transformation can be achieved. In our earlier work, Delta 15 desaturase gene (AEP37840) from flax was transformed into L. starkeyi. In the present work, we report optimization of medium for the production of omega-3 enriched oil from this transformed yeast. A basic medium containing 20 g/l glucose as a carbon source and 10 g/l yeast extract as a nitrogen source was used during fermentation. At regular time intervals, glucose was fed to maintain high C:N ratio (65:10) during fermentation. Under the most favorable conditions, dry biomass and total lipid content were 18 and 7.29 g/l, respectively. Prior to genetic transformation, L. starkeyi contained 56.03 mg/l DHA along with 71.4 mg/l EPA and 42.2 mg/l ALA. Genetic engineering of this yeast resulted in a strain that produced 1080 mg/l DHA (17.4 \%) along with 74.28 mg/l EPA and 126.72 mg/l ALA possibly through modification of PUFA biosynthetic pathway. To the best of our knowledge, this is a first report of DHA enrichment and opens up avenues for LCPUFA production through L. starkeyi.

}, keywords = {Fermentation, LCPUFA, Lipid production, Oleaginous yeast}, issn = {1615-7591}, doi = {10.1007/s00449-015-1382-y}, author = {Salunke, Devyani and Manglekar, Rupali and Gadre, Ramchandra V. and Nene, Sanjay and Harsulkar, Abhay M.} } @conference {42972, title = {Purification and characterization of an agglutinin from datura innoxia with antineoplastic activity}, booktitle = {National Science Day, At CSIR-NCL}, year = {2015}, month = {FEB}, address = {CSIR-National Chemical Laboratory, Pune 411008, India}, abstract = {

Lectins are carbohydrate binding proteins of non-immune origin. Due to their multivalency, lectins can be easily detected using agglutination. Lectins are reported to induce cytotoxicity or inhibition of growth in various cancer cells., hence good therapeutic startegy against cancer. Factors such as specificity, stability, assay rapidity, and costs combine to make lectins attractive diagnostic reagents. Datura innoxia belongs to family of Solanaceae.All parts of the plant are hallucinogenic, hypnotic and narcotic. Application: at low dose acts as pain killer, relieves asthma and rheumatism.

}, author = {Singh, Ruby and Nawale, Laxman and Gaikwad, Sushama M. and Suresha, C. G.} } @article { ISI:000356324000001, title = {Radical-mediated dehydrative preparation of cyclic imides using (NH4)(2)S2O8-DMSO: application to the synthesis of vernakalant}, journal = {Beilstein Journal of Organic Chemistry}, volume = {11}, year = {2015}, month = {JUN}, pages = {1008-1016}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {

Ammonium persulfate-dimethyl sulfoxide (APS-DMSO) has been developed as an efficient and new dehydrating reagent for a convenient one-pot process for the synthesis of miscellaneous cyclic imides in high yields starting from readily available primary amines and cyclic anhydrides. A plausible radical mechanism involving DMSO has been proposed. The application of this facile one-pot imide forming process has been demonstrated for a practical synthesis of vernakalant.

}, keywords = {APS-DMSO, imides, practical synthesis, radical-mediated, vernakalant}, issn = {1860-5397}, doi = {10.3762/bjoc.11.113}, author = {Garad, Dnyaneshwar N. and Tanpure, Subhash D. and Mhaske, Santosh B.} } @article { ISI:000365891600061, title = {Ranking of reactions based on sensitivity of protein noise depends on the choice of noise measure}, journal = {Plos One}, volume = {10}, number = {12}, year = {2015}, month = {DEC}, pages = {Article Number: e0143867}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Gene expression is a stochastic process. Identification of the step maximally affecting noise in the protein level is an important aspect of investigation of gene product distribution. There are numerous experimental and theoretical studies that seek to identify this important step. However, these studies have used two different measures of noise, viz. coefficient of variation and Fano factor, and have compared different processes leading to contradictory observations regarding the important step. In this study, we performed systematic global and local sensitivity analysis on two models of gene expression to investigate relative contribution of reaction rate parameters to steady state noise in the protein level using both the measures of noise. We analytically and computationally showed that the ranking of parameters based on the sensitivity of the noise to variation in a given parameter is a strong function of the choice of the noise measure. If the Fano factor is used as the noise measure, translation is the important step whereas for coefficient of variation, transcription is the important step. We derived an analytical expression for local sensitivity and used it to explain the distinct contributions of each reaction parameter to the two measures of noise. We extended the analysis to a generic linear catalysis reaction system and observed that the reaction network topology was an important factor influencing the local sensitivity of the two measures of noise. Our study suggested that, for the analysis of contributions of reactions to the noise, consideration of both the measures of noise is important.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0143867}, author = {Gokhale, Sucheta A. and Gadgil, Chetan J.} } @article { ISI:000356515900042, title = {Rational approach towards enhancing solar water splitting: a case study of Au-RGO/N-RGO-TiO2}, journal = {Nanoscale}, volume = {7}, number = {25}, year = {2015}, month = {MAY}, pages = {11206-11215}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A rational approach was employed to enhance the solar water splitting (SWS) efficiency by systematically combining various important factors that helps to increase the photocatalytic activity. The rational approach includes four important parameters, namely, charge generation through simulated sunlight absorption, charge separation and diffusion, charge utilization through redox reaction, and the electronic integration of all of the above three factors. The complexity of the TiO2 based catalyst and its SWS activity was increased systematically by adding reduced graphene oxide (RGO) or N-doped RGO and/or nanogold. Au-N-RGO-TiO2 shows the maximum apparent quantum yield (AQY) of 2.46\% with a H-2 yield (525 mu mol g(-1) h(-1)) from aqueous methanol, and overall water splitting activity (22 mu mol g(-1) h(-1); AQY = 0.1\%) without any sacrificial agent under one sun conditions. This exercise helps to understand the factors which help to enhance the SWS activity. Activity enhancement was observed when there is synergy among the components, especially the simulated sunlight absorption (or one sun conditions), charge separation/conduction and charge utilization. Electronic integration among the components provides the synergy for efficient solar light harvesting. In our opinion, the above synergy helps to increase the overall utilization of charge carriers towards the higher activity.

}, issn = {2040-3364}, doi = {10.1039/c5nr02613j}, author = {Bharad, Pradnya A. and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S.} } @article { ISI:000343686900002, title = {Rational preparation of Ag and Au bimetallic catalysts for the hydrocarbon-SCR of NOx: sequential deposition vs. coprecipitation method}, journal = {Applied Catalysis B-Environmental}, volume = {162}, year = {2015}, month = {JAN}, pages = {11-20}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This study emphasizes the importance of the preparation method for bimetallic Au-Ag catalysts supported on alumina in the selective reduction of NOx by hydrocarbons with gas feed compositions representative of diesel fuelled engine exhaust gas. An optimal balance between oxidative and reductive surface properties is obtained when Au and Ag are successively introduced. Significant re-dispersion processes take place when the catalyst runs at 500 degrees C leading to a gain in activity at low temperature and ascribed to a better interaction between Au and Ag species. Co-precipitation leads to a preferential formation of intermetallic Au-Ag particles which is detrimental to the catalytic performances. Aging at 500 degrees C leads to a significant particle sintering and a strengthening of the metallic character. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Au-Ag particles, Co-precipitation, DeNO(x) reaction, HC-SCR}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2014.06.031}, author = {More, Pavan M. and Nguyen, D. L. and Dongare, Mohan K. and Shubhangi B. Umbarkar and Nuns, N. and Girardon, J. S. and Dujardin, Christophe and Lancelot, Christine and Mamede, Anne-Sophie and Granger, P.} } @article {42433, title = {Reaction of N-heterocyclic carbenes with chalcones leading to the synthesis of deoxy-breslow intermediates in their oxidized form}, journal = {Chemical Communications}, volume = {51}, year = {2015}, month = {JUL}, pages = {13690-13693}, abstract = {

The synthesis of deoxy-Breslow intermediates in their oxidized form has been developed\ via\ the reaction of N-heterocyclic carbenes (NHCs) with chalcones. Moreover, the initial tetrahedral adduct formed from the 1,4-addition of NHCs to chalcones is also isolated.

}, doi = {10.1039/C5CC05800G}, author = {Bhunia, Anup and Thorat, Shridhar H. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000352508300032, title = {Reactivity and operational stability of N-Tailed TAMLs through kinetic studies of the catalyzed oxidation of orange II by H2O2: synthesis and x-ray structure of an N-Phenyl TAML}, journal = {Chemistry A-European Journal}, volume = {21}, number = {16}, year = {2015}, month = {APR}, pages = {6226-6233}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

{The catalytic activity of the N-tailed (biuret) TAML (tetraamido macrocyclic ligand) activators [Fe{4-XC6H3-1,2-(NCOCMe2NCO)(2)NR}Cl](2-) (3; N atoms in boldface are coordinated to the central iron atom; the same nomenclature is used in for compounds 1 and 2 below), [X

}, keywords = {Hydrogen peroxide, iron, kinetics, Oxidation, reaction mechanisms}, issn = {0947-6539}, doi = {10.1002/chem.201406061}, author = {Warner, Genoa R. and Mills, Matthew R. and Enslin, Clarissa and Pattanayak, Shantanu and Panda, Chakadola and Panda, Tamas Kumar and Sen Gupta, Sayam and Ryabov, Alexander D. and Collins, Terrence J.} } @article { ISI:000350842300005, title = {Recent developments in solar H-2 generation from water splitting}, journal = {Journal of Chemical Sciences}, volume = {127}, number = {1}, year = {2015}, month = {JAN}, pages = {33-47}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Hydrogen production from water and sunlight through photocatalysis could become one of the channels, in the not-so-distant future, to meet a part of ever growing energy demands. However, accomplishing solar water splitting through semiconductor particulate photocatalysis seems to be the {\textquoteleft}Holy Grail{\textquoteright} problem of science. In the present mini-review, some of the critical strategies of semiconductor photocatalysis are focused with the aim of enumerating underlying critical factors such as visible light harvesting, charge carrier separation, conduction and their utilization that determine the quantum efficiency. We attempted to bring out the essential requirements expected in a material for facile water splitting by explaining important and new designs contributed in the last decade. The newly emerged designs in semiconductor architecture employing nanoscience towards meeting the critical factors of facile photocatalysis are elucidated. The importance of band gap engineering is emphasized to utilize potential wide band gap semiconductors. Assistance of metal nanostructures and quantum dots to semiconductors attains vital importance as they are exuberant visible light harvesters and charge carrier amplifiers. Benevolent use of quantum dots in solar water splitting and photoelectrochemical water splitting provides scope to revolutionize the quantum efficiency by its multiple exciton generation features. A list of drawbacks and issues that hamper the much needed breakthrough in photocatalysis of water splitting is provided to invite attention to address them and move towards sustainable water splitting.

}, keywords = {Hydrogen, nanomaterial, Photocatalysis, quantum dot, Semiconductor, visible light, water splitting}, issn = {0974-3626}, doi = {10.1007/s12039-014-0747-0}, author = {Rajaambal, Sivaraman and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S.} } @article { ISI:000363416400072, title = {Recyclable ionic liquid iodinating reagent for solvent free, regioselective iodination of activated aromatic and heteroaromatic amines}, journal = {RSC Advances}, volume = {5}, number = {107}, year = {2015}, month = {OCT}, pages = {88311-88315}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This article describes a simple, efficient method for iodination of activated aromatic and heteroaromatic amines using recyclable 1-butyl-3-methylpyridinium dichloroiodate (BMPDCI) as an ionic liquid iodinating reagent, in the absence of any solvent. The main advantages are a simple efficient procedure, good yields and no need for any base/toxic heavy metals, or oxidizing agents. The ionic liquid was recovered and recycled in five subsequent reactions, without much loss of activity. This method was applied for the synthesis of the antiprotozoal drug iodoquinol and the antifungal drug clioquinol.

}, issn = {2046-2069}, doi = {10.1039/c5ra14702f}, author = {Deshmukh, Amarsinh and Gore, Babasaheb and Thulasiram, Hirekodathakallu V. and Swamy, Vincent P.} } @article { ISI:000365222000045, title = {Regioselective and diastereoselective iodocyclization reaction of alkene-thioureas: an efficient approach to bicyclic beta-lactams}, journal = {New Journal of Chemistry}, volume = {39}, number = {12}, year = {2015}, month = {SEP}, pages = {9422-9428}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Bicyclic beta-lactams, i.e. 3-thia-1-dethiacephams, were synthesized via a highly regioselective and diastereoselective iodocyclization reaction of alkene-thioureas with molecular iodine. Furthermore, the structure of 3-thia-1-dethiacepham was confirmed by a chemical method, the dehydrohalogenation reaction using DBU.

}, issn = {1144-0546}, doi = {10.1039/c5nj01963j}, author = {Garud, Dinesh R. and Sonawane, Amol D. and Auti, Jyoti B. and Rode, Navnath D. and Ranpise, Vinod R. and Joshi, Rohini R. and Joshi, Ramesh A.} } @article { ISI:000350674400031, title = {Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {10}, year = {2015}, month = {MAR}, pages = {3064-3069}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication depicts an intriguing example of hydrogen-bonding reversal upon introduction of a sulfonamide linkage at the N-terminus of a synthetic reverse-turn peptide motif. The ready availability of two sulfonyl oxygen atoms, as hydrogen-bonding acceptors, combined with the inherent twisted conformation of sulfonamides are seen to act as switches that engage/disengage the hydrogen-bond at the sticky ends/termini.

}, issn = {1477-0520}, doi = {10.1039/c4ob02438a}, author = {Vijayadas, Kuruppanthara N. and Kotmale, Amol S. and Thorat, Shridhar H. and Gonnade, Rajesh G. and Nair, Roshna V. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000365462600035, title = {Rh-catalyzed synthesis of coumarin derivatives from phenolic acetates and acrylates via C-H bond activation}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {22}, year = {2015}, month = {NOV}, pages = {11544-11550}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient annulation strategy involving the reaction of phenolic acetates with acrylates in the presence of [Rh-2(OAc)(4)] as catalyst and formic acid as reducing agent, leading to the high yield synthesis of coumarin derivatives, has been developed. The addition of NaOAc as a base increased the yield of the products. The reaction is quite Successful for both electron rich as well as electron deficient phenolic acetates, affording coumarins with excellent regioselectivity, and proceeds via, C-H bond activation proven by deuterium incorporation studies.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b01713}, author = {Gadakh, Sunita K. and Dey, Soumen and Sudalai, Arumugarn} } @article { ISI:000353689400017, title = {Rifampicin reduces advanced glycation end products and activates DAF-16 to increase lifespan in Caenorhabditis elegans}, journal = {Aging Cell}, volume = {14}, number = {3}, year = {2015}, month = {JUN}, pages = {463-473}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Advanced glycation end products (AGEs) are formed when glucose reacts nonenzymatically with proteins; these modifications are implicated in aging and pathogenesis of many age-related diseases including type II diabetes, atherosclerosis, and neurodegenerative disorders. Thus, pharmaceutical interventions that can reduce AGEs may delay age-onset diseases and extend lifespan. Using LC-MSE, we show that rifampicin (RIF) reduces glycation of important cellular proteins in vivo and consequently increases lifespan in Caenorhabditis elegans by up to 60\%. RIF analog rifamycin SV (RSV) possesses similar properties, while rifaximin (RMN) lacks antiglycation activity and therefore fails to affect lifespan positively. The efficacy of RIF and RSV as potent antiglycating agents may be attributed to the presence of a p-dihydroxyl moiety that can potentially undergo spontaneous oxidation to yield highly reactive p-quinone structures, a feature absent in RMN. We also show that supplementing rifampicin late in adulthood is sufficient to increase lifespan. For its effect on longevity, rifampicin requires DAF-18 (nematode PTEN) as well as JNK-1 and activates DAF-16, the FOXO homolog. Interestingly, the drug treatment modulates transcription of a different subset of DAF-16 target genes, those not controlled by the conserved Insulin-IGF-1-like signaling pathway. RIF failed to increase the lifespan of daf-16 null mutant despite reducing glycation, showing thereby that DAF-16 may not directly affect AGE formation. Together, our data suggest that the dual ability to reduce glycation in vivo and activate prolongevity processes through DAF-16 makes RIF and RSV effective lifespan-extending interventions.

}, keywords = {advanced glycation end products, aging, Caenorhabditis elegans, DAF-16, Glycation, lifespan, rifampicin}, issn = {1474-9718}, doi = {10.1111/acel.12327}, author = {Golegaonkar, Sandeep and Tabrez, Syed S. and Pandit, Awadhesh and Sethurathinam, Shalini and Jagadeeshaprasad, Mashanipalya G. and Bansode, Sneha B. and Sampathkumar, Srinivasa-Gopalan and Kulkarni, Mahesh J. and Mukhopadhyay, Arnab} } @article { ISI:000366339300003, title = {RNA stem-loop to G-quadruplex equilibrium controls mature MicroRNA production inside the cell}, journal = {Biochemistry}, volume = {54}, number = {48}, year = {2015}, month = {DEC}, pages = {7067-7078}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The biological role of the existence of overlapping structures in RNA is possible yet remains very unexplored. G-Rich tracts of RNA form G-quadruplexes, while GC-rich sequences prefer stem-loop structures. The equilibrium between alternate structures within RNA may occur and influence its functionality. We tested the equilibrium between G-quadruplex and stem-loop structure in RNA and its effect on biological processes using pre-miRNA as a model system. Dicer enzyme recognizes canonical stem-loop structures in pre-miRNA to produce mature miRNAs. Deviation from stem-loop leads to deregulated mature miRNA levels, providing readout of the existence of an alternate structure per se G-quadruplex-mediated structural interference in miRNA maturation. In vitro analysis using beacon and Dicer cleavage assays indicated that mature miRNA levels depend on relative amounts of K+: and Mg2+ ions, suggesting an ion-dependent structural shift. Further in cellulo studies with and without TmPyP4 (RNA G-quadruplex destabilizer) demonstrated that miRNA biogenesis is modulated by G-quadruplex to stem-loop equilibrium in a subset of pre-miRNAs. Our combined analysis thus provides evidence of the formation of noncanonical G-quaciruplexes in competition with canonical stem-loop structure inside the cell and its effect on miRNA maturation in a comprehensive manner.

}, issn = {0006-2960}, doi = {10.1021/acs.biochem.5b00574}, author = {Pandey, Satyaprakash and Agarwala, Prachi and Jayaraj, Gopal Gunanathan and Gargallo, Raimundo and Maiti, Souvik} } @article {45930, title = {Role of aliovalent cation doping in the activity of nanocrystalline CdS for visible-light-driven H-2 production from water}, journal = {International Journal of Hydrogen Energy}, volume = {40}, year = {2015}, month = {JUL }, pages = {8695-8705}, type = {Article}, abstract = {

This study was aimed at discerning the enhancement in the visible-light-driven water splitting activity of nanocrystalline CdS photocatalysts because of their doping with a small amount of an aliovalent cation (Ag+ or Cr3+). The CdS/Cr-x (x = 0-2.3 wt\%) and CdS/Ag-x (x = 0-1.5 wt\%) samples, which were synthesized using a one-step hydrothermal method, were characterized systematically for their crystallographic, morphological, interfacial, and photo-physical properties. The Rietveld refinement of the powder X-ray diffraction data enabled us to quantify the doping-effect on the phase composition and lattice parameters. As compared to pure CdS, the samples containing similar to 0.2 wt\% of Cr or Ag showed two or tenfold enhancement in the rate of H-2 evolution from water, respectively, when sulfide-sulfite ions were used as sacrificial electron donors. This pyramidal trend, i.e. maximum activity for a specific impurity content, which decreased on decreasing as well as increasing the amount of doping, did not occur owing to the presence of a secondary-phase metal sulfide or a dispersed metal cocatalyst. Our study revealed that instead of the widely advocated mechanism involving inter-semiconductor or semiconductor-to-metal electron transfer steps, the doping-modified photoactivity of CdS was governed by certain bulk and surface properties such as the cation-dependent particle nucleation, dominance of hex-CdS facets, and structural defects. Additionally, impurity-induced sub-bandgap charge-trapping states also contributed to the overall quantum efficiency. Copyright (C) 2015, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2015.05.019}, author = {Korake, Prakash V. and Achary, Srungarpu N. and Gupta, Narendra M.} } @article { ISI:000359654100006, title = {Role of tumor cell surface lysosome-associated membrane protein-1 (LAMP1) and its associated carbohydrates in lung metastasis}, journal = {Journal of Cancer Research and Clinical Oncology}, volume = {141}, number = {9}, year = {2015}, month = {SEP}, pages = {1563-1574}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Expression of lysosome-associated membrane protein-1 (LAMP1) on the surface correlates with metastatic potential of B16 melanoma cells. Downregulation of their expression in high metastatic (B16F10) cells reduced their surface expression and metastatic potential. Present investigations explore if overexpression of LAMP1 on the surface of low metastatic (B16F1) cells augment their metastatic ability, and if so, how? B16F1 cells were transduced with lentiviral vector carrying mutant-LAMP1 (Y386A) (mutLAMP1). Surface expression of LAMP1 and carbohydrates was analyzed by flow cytometry, immunofluorescence and/or immunoprecipitation and Western blotting. Cell spreading and motility were assessed on components of extracellular matrix (ECM) (fibronectin) and basement membrane (BM) (matrigel), and galectin-3-coated coverslips/plates. Metastatic potential was assessed using experimental metastasis assay. Pre-incubation with anti-LAMP1 antibodies significantly reduced lung metastasis of B16F10 cells. Overexpression of mutLAMP1 significantly increased its surface expression on B16F1 cells, resulting in increased cellular spreading and motility on fibronectin and matrigel. LAMP1 is the major carrier of poly-N-acetyllactosamine (polyLacNAc) on B16F10 cells. However, significantly higher expression of mutLAMP1 had no effect on galectin-3 binding on cell surface or on spreading or motility of cells on galectin-3-coated coverslips/plates. These cells also failed to show any gain in metastatic ability. This could be because LAMP1 from these cells carried significantly lower levels of polyLacNAc in comparison with B16F10 cells. PolyLacNAc on B16F10 cells and galectin-3 on lungs are the major participants in melanoma metastasis. Although surface LAMP1 promotes interactions with organ ECM and BM, carbohydrates on LAMP1 play a decisive role in dictating lung metastasis.

}, keywords = {6 branched N-oligosaccharides, beta 1, Cell surface LAMP1, Galectin-3, Motility, Organ-specific metastasis, Poly-N-acetyllactosamine}, issn = {0171-5216}, doi = {10.1007/s00432-015-1917-2}, author = {Agarwal, Akhil Kumar and Srinivasan, Nithya and Godbole, Rashmi K. and More, Shyam K. and Budnar, Srikanth and Gude, Rajiv P. and Kalraiya, Rajiv D.} } @article { ISI:000359951700161, title = {RXR-carbamate - a novel molecular transporter for skin}, journal = {Molecular Therapy}, volume = {23}, number = {1}, year = {2015}, note = {18th Annual Meeting of the American-Society-of-Gene-and-Cell-Therapy (ASGCT), New Orleans, LA, MAY 13-16, 2015}, month = {MAY}, pages = {S64-S64}, publisher = {Amer Soc Gene \& Cell Therapy}, address = {75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA}, issn = {1525-0016}, author = {Natarajan, Poornemaa and Patil, Kiran M. and Vij, Manika and Yadav, Amit K. and Kumar, Vaijayanti A. and Ganguli, Munia and Fernandes, Moneesha} } @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 { 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: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 { 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: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 { 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: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 {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: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: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: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 { 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: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: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 { 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: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: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 { 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:000362437900092, title = {Targeting a chemorefractory COLO205 (BRAF V600E) cell line using substituted benzo[alpha]phenoxazines}, journal = {RSC Advances}, volume = {5}, number = {100}, year = {2015}, month = {SEP}, pages = {82549-82563}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Mutational activations of the oncogene BRAF (especially BRAF V600E) result in a poor prognosis for colon cancer patients and are associated with chemoresistance rendering them refractory to treatment. The development of novel bioactive compounds with specific targeting abilities under such conditions is an urgent need in drug discovery. In this report we synthesize and characterize three fluorescent benzo[alpha]phenoxazine compounds (10R-benzo[alpha]phenoxazine-5-one, 1B; R = Cl, 2B; R = CH3, 3B; R = H) and their anticancer activities are evaluated in a COLO205 cell line. All three compounds with a log P value around 2 were cell permeable. However, 2B and 3B showed specific cytotoxicity in a malignant COLO205 cell line with a BRAF mutation (V600E) in comparison to a non-malignant wild-type BRAF HEK293T cell line. From further cell-based assays (cell cycle analysis, DNA fragmentation and caspase activation), we conclude that 2B and 3B treatment-induced selective cell death by inducing cell cycle arrest at the G0/G1 phase and caspase-mediated apoptosis (activation of the intrinsic and extrinsic pathways) are present only in BRAF V600E COLO205 cells. Further studies in the drug discovery pipeline might help develop these benzo[alpha]phenoxazines as promising chemotherapeutics for such refractory mutated cancers.

}, issn = {2046-2069}, doi = {10.1039/c5ra14949e}, author = {Pal, Sanjima and Konkimalla, V. Badireenath and Kathawate, Laxmi and Rao, Soniya S. and Gejji, Shridhar P. and Puranik, Vedavati G. and Weyhermueller, Thomas and Salunke-Gawali, Sunita} } @article { ISI:000362460800031, title = {Temperature and magnetic field-assisted switching of magnetization and observation of exchange bias in YbCrO3 nanocrystals}, journal = {Inorganic Chemistry}, volume = {54}, number = {19}, year = {2015}, month = {OCT}, pages = {9509-9516}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this paper, we demonstrate an interesting feature in YbCrO3 (YCO) nanocrystals, in which the material shows temperature and external magnetic field-assisted switching (a complete sign reversal) of zero field cooled magnetization (M-ZFC) and observation of exchange bias (EB) as a result of competing spin interaction at low temperature. This feature can be applied in nonvolatile memories, where, simply by changing the magnitude of the H-ext and T, the polarity of the magnetization can be switched between negative and positive. We also observed negative magnetization in YCO. Our results showed that, below its Neel temperature (T-N approximate to 119 K), the M-ZFC crosses over to negative sign for H \< 1000 Oe. At 60 K, YCO showed a significant negative M-ZFC approximate to -0.05 emu/g (at 100 Oe) due to the competing effects of Yb3+, Cr3+ spins, thermal activation energy, and Hext. At further lower temperatures, the M-ZFC showed a crossover to positive values, and the crossover temperature showed the dependence on H-ext (similar to 19 K for 100 Oe curve). The YCO also showed H-ext T-dependent H-EB, which changed its sign with T. The observed T-dependent sign reversal in the EB was closely associated with the sign reversal of M-ZFC. The symmetric shift in field-cooled isothermal hysteresis curves confirmed that the observed EB was not due to the unsaturated minor loop. The training cycle further confirmed that the H-EB value decreased to similar to 2\% of the initial value of observed EB, which was very small compared to the observed H-EB in YCO, which indicated stable spin configuration at the locally formed ferromagnetic/antiferromagnetic interface.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b01448}, author = {Gupta, Preeti and Poddar, Pankaj} } @article { ISI:000363023500010, title = {Temporal protein expression pattern in intracellular signalling cascade during T-cell activation: a computational study}, journal = {Journal of Biosciences}, volume = {40}, number = {4}, year = {2015}, month = {OCT}, pages = {769-789}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Various T-cell co-receptor molecules and calcium channel CRAC play a pivotal role in the maintenance of cell{\textquoteright}s functional responses by regulating the production of effector molecules (mostly cytokines) that aids in immune clearance and also maintaining the cell in a functionally active state. Any defect in these co-receptor signalling pathways may lead to an altered expression pattern of the effector molecules. To study the propagation of such defects with time and their effect on the intracellular protein expression patterns, a comprehensive and largest pathway map of T-cell activation network is reconstructed manually. The entire pathway reactions are then translated using logical equations and simulated using the published time series microarray expression data as inputs. After validating the model, the effect of in silico knock down of co-receptor molecules on the expression patterns of their downstream proteins is studied and simultaneously the changes in the phenotypic behaviours of the T-cell population are predicted, which shows significant variations among the proteins expression and the signalling routes through which the response is propagated in the cytoplasm. This integrative computational approach serves as a valuable technique to study the changes in protein expression patterns and helps to predict variations in the cellular behaviour.

}, keywords = {Boolean model, co-receptors and CRAC channel, synchronous and asynchronous simulation, T-cell signalling pathway, temporal gene expression patterns}, issn = {0250-5991}, doi = {10.1007/s12038-015-9561-1}, author = {Ganguli, Piyali and Chowdhury, Saikat and Bhowmick, Rupa and Sarkar, Ram Rup} } @article { ISI:000358624200005, title = {Terahertz spectroscopy and solid-state density functional theory calculations of cyanobenzaldehyde isomers}, journal = {Journal of Physical Chemistry A}, volume = {119}, number = {29}, year = {2015}, month = {JUL}, pages = {7991-7999}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Spectral signatures in the terahertz (THz) frequency region are mainly due to bulk vibrations of the molecules. These resonances are highly sensitive to the relative position of atoms in a molecule as well as the crystal packing arrangement. To understand the variation of THz resonances, THz spectra (2-10 THz) of three structural isomers: 2-, 3-, and 4-cyanobenzaldehyde have been studied. THz spectra obtained from Fourier transform infrared (FTIR) spectrometry of these isomers show that the resonances are distinctly different especially below 5 THz. For understanding the intermolecular interactions due to hydrogen bonds, four molecule cluster simulations of each of the isomers have been carried out using the B3LYP density functional with the 6-31G(d,p) basis set in Gaussian09 software and the compliance constants are obtained. However, to understand the exact reason behind the observed resonances, simulation of each isomer considering the full crystal structure is essential. The crystal structure of each isomer has been determined using X-ray diffraction (XRD) analysis for carrying out crystal structure simulations. Density functional theory (DFT) simulations using CRYSTAL14 software, utilizing the hybrid density functional B3LYP, have been carried out to understand the vibrational modes. The bond lengths and bond angles from the optimized structures are compared with the XRD results in terms of root-mean-square-deviation (RMSD) values. Very low RMSD values confirm the overall accuracy of the results. The simulations are able to predict most of the spectral features exhibited by the isomers. The results show that low frequency modes (\<3 THz) are mediated through hydrogen bonds and are dominated by intermolecular vibrations.

}, issn = {1089-5639}, doi = {10.1021/acs.jpca.5b01942}, author = {Dash, Jyotirmayee and Ray, Shaurnik and Nallappan, Kathirvel and Kaware, Vaibhav and Basutkar, Nitin B. and Gonnade, Rajesh G. and Ambade, Ashootosh V. and Joshi, Kavita and Pesala, Bala} } @article { ISI:000354735600005, title = {Theoretical insight of nitric oxide adsorption on neutral and charged Pd-n (n=1-5) clusters}, journal = {International Journal of Quantum Chemistry}, volume = {115}, number = {13}, year = {2015}, month = {JUL}, pages = {837-845}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Density functional theory (DFT) calculations within the framework of generalized gradient approximation have been used to systematically investigate the adsorption of nitric oxide (NO) molecule on neutral, cationic, and anionic Pd-n (n=1-5) clusters. NO coordinate to one Pd atom of the cluster by the end-on mode, where the tilted end-on structure is more favorable due to the additional electron in the * orbital. On the contrary, in the neutral and cationic Pd-2 system, NO coordinates to the bridge site of cluster preferably by the side-on mode. Charge transfer between Pd clusters and NO molecule and the corresponding weakening of NO bond is an essential factor for the adsorption. The NO stretching frequency follow the order of cationic\>neutral\>anionic. Binding energy of NO on anionic clusters is found to be greater than those of neutral and cationic clusters. (c) 2015 Wiley Periodicals, Inc.

}, keywords = {Density functional theory, electronic property, geometric configuration, NO adsorption, small palladium cluster}, issn = {0020-7608}, doi = {10.1002/qua.24914}, author = {Begum, Pakiza and Gogoi, Pranjal and Mishra, Bhupesh Kumar and Deka, Ramesh Chandra} } @article { ISI:000346236000077, title = {Thermodynamic and kinetic characterization of transmembrane helix association}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {2}, year = {2015}, month = {NOV}, pages = {1390-1398}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The transient dimerization of transmembrane proteins is an important event in several cellular processes and computational methods are being increasingly used to quantify their underlying energetics. Here, we probe the thermodynamics and kinetics of a simple transmembrane dimer to understand membrane protein association. A multi-step framework has been developed in which the dimerization profiles are calculated from coarse-grain molecular dynamics simulations, followed by meso-scale simulations using parameters calculated from the coarse-grain model. The calculated value of Delta G(assoc) is approx. -20 kJ mol(-1) and is consistent between three methods. Interestingly, the meso-scale stochastic model reveals low dimer percentages at physiologically-relevant concentrations, despite a favorable Delta G(assoc). We identify generic driving forces arising from the protein backbone and lipid bilayer and complementary factors, such as protein density, that govern self-interactions in membranes. Our results provide an important contribution in understanding membrane protein organization and linking molecular, nano-scale computational studies to meso-scale experimental data.

}, issn = {1463-9076}, doi = {10.1039/c4cp03732d}, author = {Pawar, Aiswarya B. and Deshpande, Sneha A. and Gopal, Srinivasa M. and Wassenaar, Tsjerk A. and Athale, Chaitanya A. and Sengupta, Durba} } @article { ISI:000363005100025, title = {Thermotropic liquid crystalline polyesters derived from bis-(4-hydroxybenzoyloxy)-2-methyl-1,4-benzene and aliphatic dicarboxylic acid chlorides}, journal = {Bulletin of Materials Science}, volume = {38}, number = {5}, year = {2015}, month = {SEP}, pages = {1301-1308}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A series of thermotropic liquid crystalline polyesters derived from bis-(4-hydroxybenzoyloxy)-2-methyl-1,4-benzene(BHBOMB) and aliphatic dicarboxylic acid chlorides were investigated. All these polyesters were synthesized by interfacial polycondensation method and characterized by differential scanning calorimetry and wide-angle X-ray diffractometer. These polyesters consist of BHBOMB as a mesogenic diol and aliphatic diacid chlorides were used as flexible spacers. The length of oligomethylene units in polymer was varied from the trimethylene to the dodecamethylene groups. The transition temperatures and thermodynamic properties were studied for all these polymers. All these polyesters were soluble in chlorinated solvents such as chloroform, dichloromethane, dichloroethane, etc. More importantly, all these polyesters exhibited very large mesophase stability.

}, keywords = {dicarboxylic acid chloride, interfacial polycondensation, Liquid crystalline polyesters, rigid diol, thermotropic}, issn = {0250-4707}, author = {Mulani, Khudbudin Baban and Momin, Mohasin Shamshuddin and Ganjave, Nitin V. and Chavan, Nayaku} } @article { ISI:000366878300084, title = {Three-component coupling involving arynes, aromatic tertiary amines, and aldehydes via aryl-aryl amino group migration}, journal = {Organic Letters}, volume = {17}, number = {24}, year = {2015}, month = {DEC}, pages = {6270-6273}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The transition-Metal-free multicomponent coupling of arynes, aromatic tertiary amines, and aldehydes proceeding via the aryl to aryl amino group migration has been demonstrated. This protocol allows rapid access to ortho-functionalized tertiary amines in moderate to good yields. Moreover, activated ketones can also be used as the aldehyde Component in the present reaction. The similarity of the aryl-aryl tertiary amino group migration with the Smiles rearrangement is striking.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b03319}, author = {Bhojgude, Sachin Suresh and Baviskar, Dnyaneshwar R. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000364074300007, title = {Titanium superoxide - a stable recyclable heterogeneous catalyst for oxidative esterification of aldehydes with alkylarenes or alcohols using TBHP as an oxidant}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {43}, year = {2015}, month = {SEP}, pages = {10631-10640}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Titanium superoxide efficiently catalysed the oxidative esterification of aldehydes with alkylarenes or alcohols, under truly heterogeneous conditions, to afford the corresponding benzyl and alkyl esters in excellent yields. Mechanistic studies have established that this {\textquoteleft}{\textquoteleft}one pot{\textquoteright}{\textquoteright} direct oxidative esterification process proceeds through a radical pathway, proven by a FTIR spectral study of a titanium superoxide-aldehyde complex as well as spin trapping experiments with TEMPO. The intramolecular version of this protocol has been successfully demonstrated in the concise synthesis of 3-butylphthalide, an anti-convulsant drug.

}, issn = {1477-0520}, doi = {10.1039/c5ob01586c}, author = {Dey, Soumen and Gadakh, Sunita K. and Sudalai, A.} } @article {45946, title = {Towards comprehension of complex chemical evolution and diversification of terpene and phenylpropanoid pathways in Ocimum species}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {NOV}, pages = {106886-106904}, type = {Article}, abstract = {

Ocimum species present a wide array of diverse secondary metabolites possessing immense medicinal and economic value. The importance of this genus is undisputable and exemplified in the ancient science of Chinese and Indian (Ayurveda) traditional medicine. Unlike several other plant species of Artemisia, Salvia, Catharanthus, Taxus, Mentha, etc. that are largely exploited, detailed characterization and identification of important metabolites from Ocimum species remained unexplored. Till date, most of the analyzed Ocimum species are predominantly rich in either phenylpropanoids or terpenoids. Metabolite data suggests domination of a unique set of signature compounds in all species. However, molecular pathways leading to the production, accumulation and metabolism of these compounds are poorly understood. The past few years have witnessed an upsurge in our understanding of the complex and intricately woven secondary metabolic pathways. Such information is generated through systematic analysis and correlation of metabolite profiling with transcriptomics data sets from different Ocimum species. The present review is aimed at integrating our current knowledge to understand the active secondary metabolic pathways, the key players in flux regulation including external stimuli, differential gene expression, transcription factors, microRNAs, enzyme promiscuity, etc. Extensive analysis of available data identifies events that may have contributed to evolve Ocimum species rich with a specific set of metabolites, thus, shedding light on pathway diversification. We believe that a better understanding of the multi-level regulation of intermediates and metabolites will help us harness the inherent diversity of Ocimum species optimally.

}, issn = {2046-2069}, doi = {10.1039/c5ra16637c}, author = {Singh, Priyanka and Kalunke, Raviraj M. and Giri, Ashok P.} } @article { ISI:000365070700106, title = {Two new potential barcodes to discriminate dalbergia species}, journal = {Plos One}, volume = {10}, number = {11}, year = {2015}, month = {NOV}, pages = {Article Number: e0142965}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

DNA barcoding enables precise identification of species from analysis of unique DNA sequence of a target gene. The present study was undertaken to develop barcodes for different species of the genus Dalbergia, an economically important timber plant and is widely distributed in the tropics. Ten Dalbergia species selected from the Western Ghats of India were evaluated using three regions in the plastid genome (matK, rbcL, trnH-psbA), a nuclear transcribed spacer (nrITS) and their combinations, in order to discriminate them at species level. Five criteria: (i) inter and intraspecific distances, (ii) Neighbor Joining (NJ) trees, (iii) Best Match (BM) and Best Close Match (BCM), (iv) character based rank test and (v) Wilcoxon signed rank test were used for species discrimination. Among the evaluated loci, rbcL had the highest success rate for amplification and sequencing (97.6\%), followed by matK (97.0\%), trnH-psbA (94.7\%) and nrITS (80.5\%). The inter and intraspecific distances, along with Wilcoxon signed rank test, indicated a higher divergence for nrITS. The BM and BCM approaches revealed the highest rate of correct species identification (100\%) with matK, matK+rbcL and matK+trnH-psb loci. These three loci, along with nrITS, were further supported by character based identification method. Considering the overall performance of these loci and their ranking with different approaches, we suggest matK and matK+rbcL as the most suitable barcodes to unambiguously differentiate Dalbergia species. These findings will potentially be helpful in delineating the various species of Dalbergia genus, as well as other related genera.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0142965}, author = {Bhagwat, Rasika M. and Dholakia, Bhushan B. and Kadoo, Narendra Y. and Balasundaran, M. and Gupta, Vidya S.} } @article { ISI:000349942400010, title = {Ultrafast electron injection, hole transfer, and charge recombination dynamics in cdse QD super-sensitized Re(I)-polypyridyl complexes with catechol and resorcinol moiety: effect of coupling}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {7}, year = {2015}, month = {FEB}, pages = {3522-3529}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Ultrafast charge-transfer dynamics have been demonstrated in CdSe quantum dots (QD) using two Re(I)-polypyridyl complexes having pendent catechol (Re1,2) and resorcinol (Re1,3) as the sensitizer molecules. The energy level diagram of CdSe QD and Re1,2 and Re1,3 sensitizer reveals that photoexcited hole of CdSe QD can be transferred to both Re1,2 and Re1,3 molecule, and photoexcited Re1,2 and Re1,3 can inject electron in the conduction band, which has been confirmed by steady-state and time-resolved photoluminescence studies with selective photoexcitation. Femtosecond transient absorption studies have been carried out to monitor charge-transfer dynamics in early time scale. Transient absorption spectra show formation of cation radicals for both Re1,2 and Re1,3 in the 550-650 nm region with a peak at 590 nm region and broad absorption in the 650-1000 nm region, which can be attributed to photoexcited electron in the conduction band of CdSe QD. Charge recombination was determined by monitoring the decay of cation radicals as well as decay of an electron and found to be slower in the Re1,3/CdSe system as compared to that of the Re1,2/CdSe system, which is due to weaker electronic coupling in the former system.

}, issn = {1932-7447}, doi = {10.1021/jp5122068}, author = {Debnath, Tushar and Maity, Partha and Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000349435000092, title = {Unprecedented ferrocene-quinoline conjugates: facile proton conduction via 1D helical water chains and a selective chemosensor for Zn(II) ions in water}, journal = {RSC Advances}, volume = {5}, number = {20}, year = {2015}, month = {JAN}, pages = {15690-15694}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two novel ferrocene-quinoline derivatives 3 (C22H19O2N3Fe) and 4 (C34H28O4N6Fe) have been synthesized and structurally characterized. Compound 3 exhibits good proton conductivity through 1D helical water chains. In addition, both compounds 3 and 4 selectively detect Zn2+ ions in water with a detection limit of 2 ppb through multiple channels.

}, issn = {2046-2069}, doi = {10.1039/c4ra13877e}, author = {Ponniah, Joseph S. and Barik, Subrat Kumar and Borthakur, Rosmita and Thakur, Arunabha and Garai, Bikash and Janaa, Sourita and Ghosh, Sundargopal} } @article { ISI:000348144100002, title = {Using Raman and dielectric spectroscopy to elucidate the spin phonon and magnetoelectric coupling in DyCrO3 nanoplatelets}, journal = {RSC Advances}, volume = {5}, number = {14}, year = {2015}, month = {JAN}, pages = {10094-10101}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this study, we report the phonon-mode assignment of DyCrO3 nanoplatelets by Raman spectroscopy. The temperature dependent Raman studies indicate the shift in the phonon frequency of most intense modes of DyCrO3 and the observed change in Raman line-width is correlated with the spin-phonon coupling. The impedance spectroscopy reveals anomalies in the dielectric constant vs. temperature curve in the proximity of the magnetic transitions, thereby hinting towards possible weak magnetoelectric coupling in DyCrO3 nanoplatelets. For the first time, UV-vis absorption spectroscopy and photocatalytic activity of DyCrO3 nanoplatelets have been reported. The optical absorption spectrum gives the band gap similar to 2.8 eV for DyCrO3 nanoplatelets suggesting them as a good candidate for studying photocatalytic activity. The DyCrO3 nanoplatelets showed an efficient photocatalytic activity by degrading 65\% methyl orange after 8 h irradiation.

}, issn = {2046-2069}, doi = {10.1039/c4ra11022f}, author = {Gupta, Preeti and Poddar, Pankaj} } @article { ISI:000359166300077, title = {Zinc inhibits glycation induced structural, functional modifications in albumin and protects erythrocytes from glycated albumin toxicity}, journal = {International Journal of Biological Macromolecules}, volume = {79}, year = {2015}, month = {AUG}, pages = {601-610}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The present work aims to investigate the concentration and time dependant effect of zinc on the in vitro non enzymatic modifications of albumin by diabetic levels of glucose. Further, preventive and curative effect of zinc was studied by adding zinc before and after initiation of glycation respectively. Glycation of albumin was done at different concentrations of zinc (125, 250 and 500 mu M) at different time intervals (21,28 and 35 days) with appropriate controls. The antiglycation potential of zinc was assessed by estimating different markers of albumin glycation (fructosamines, carbonyls, bound sugar, AGEs), structural modifications (free amino, thiol group, beta amyloid, native PAGE, ANS binding, fluorescence lifetime decay and CD analysis) and functional properties (antioxidant activity, hemolysis). Zinc at highest concentration (500 mu M) significantly reduced modifications of albumin which was comparable to aminoguanidine and also protected secondary and tertiary structure of albumin after 28 days of incubation. Zinc exhibited significant protective effect on erythrocytes by inhibiting hemolysis. Thus the present study indicate preventive mode of albumin glycation inhibition by zinc. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Albumin, Erythrocytes, Glycation}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2015.05.028}, author = {Tupe, Rashmi and Kulkarni, Amruta and Adeshara, Krishna and Sankhe, Neena and Shaikh, Shamim and Dalai, Sayli and Bhosale, Siddharth H. and Gaikwad, Sushama M.} } @article {43576, title = {[2]Pseudorotaxane formation with fret based luminescence response: demonstration ofboolean operations through self sorting on solid surface}, journal = {Journal of Organic Chemistry}, volume = {81}, year = {2016}, month = {OCT}, pages = {8977-8987}, abstract = {Binary pseudorotaxane formation between an aza crown derivative as host (H) and two different imidazolium derivatives as guests (G(1) and G(2)) have been studied in detail by NMR (H-1 NMR, 2D NOESY), optical (steady state electronic and emission spectroscopy), and mass spectroscopy. Binding stoichiometry (1:1), association constant for the respective [2]pseudorotaxane formation (K-a(H center dot G1) = (2.61 +/- 0.015) X 10(3) M-1 and K-a(H center dot G2) = (1.27 +/- 0.16) X 10(3) M-1), and associated thermodynamic parameters are also evaluated based on isothermal titration calorimetric (ITC) studies. FRET based luminescence ON responses are observed on formation of the binary pseudorotaxane (H center dot G(1) and H center dot G(2)) in a nonpolar medium like dichlororriethane. The thermodynamic feasibility of such an energy transfer process is also examined. The higher affinity of H and 18-crown-6 toward K+, as compared to those toward G(1) or G(2), and the reversibility in the host- guest binding process are utilized in demonstrating the self-sorting phenomena with associated changes in luminescence responses that could be correlated for Boolean operators like YES, INHIBIT, OR, and AND gates.}, doi = {10.1021/acs.joc.6b01631}, author = {Gangopadhyay, Monalisa and Maity, Arunava and Dey, Ananta and Das, Amitava} } @article {43630, title = {3-Aminothiophenecarboxylic acid (3-Atc)-induced folding in peptides}, journal = {New Journal of Chemistry}, volume = {40}, year = {2016}, month = {SEP}, pages = {9205-9210}, abstract = {This paper describes the consequences of incorporating a constrained heterocyclic aromatic b-amino acid 3-aminothiophenecarboxylic acid (3-Atc) into peptides containing beta-turn forming elements such as Pro-Gly motif and the effect on the secondary structural architecture of the entire peptide backbone. Conformational investigations of oligomers comprising an alpha,beta,alpha peptide sequence were carried out by single-crystal X-ray diffraction, solution-state NMR, nOe-restrained MD simulation and circular dichroism studies. The results suggested that these peptide sequences assume helical architecture. The helical folding in the oligomers was found to be devoid of inter-residual H-bonding, instead found to be stabilized by a co-operative effect of 6-membered H-bonding within the 3-Atc unit and conformational restrictions of individual amino acids in the peptide backbone.}, doi = {10.1039/c6nj01667g}, author = {Ingole, Tukaram S. and Kotmale, Amol S. and Gawade, Rupesh L. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article {42976, title = {3D Polyaniline architecture by concurrent inorganic and organic acid doping for superior and robust high rate supercapacitor performance}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {FEB}, pages = {Article No. 21002}, doi = {10.1038/srep21002}, author = {Gawli, Yogesh and Banerjee, Abhik and Dhakras, Dipti and Deo, Meenal S. and Bulani, Dinesh and Wadgaonkar, Prakash P. and Shelke, Manjusha and Ogale, Satishchandra} } @article { ISI:000373747700077, title = {Additive mediated syn-anti conformational tuning at nucleation to capture elusive polymorphs: remarkable role of extended pi-stacking interactions in driving the self-assembly}, journal = {Crystal Growth \& Design}, volume = {16}, number = {4}, year = {2016}, month = {APR}, pages = {2416-2428}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Understanding the process of prenucleation clustering at supersaturating stage is of significant importance to envisage the polymorphism in crystalline materials. Preferential formation of a thermodynamically stable crystal form suggests energetically favored patterns of interactions which control molecular aggregation during nucleation. Introduction of additives during crystallization is sometimes used as a suitable strategy to obtain metastable polymorphs in cases where it is not easy to capture the same by conventional crystallization methods. Comparative analysis of energy relationships and intermolecular interactions between thermodynamically stable and metastable crystal forms provides valuable clues about the nature of growth synthons at prenucleation clustering and preferential crystallization of the thermodynamic form. Conformationally flexible sulfonamide/sulfoester derivatives constituting electron rich and electron deficient aromatic rings were synthesized to study the interplay between pi-stacking and hydrogen bonding synthons. We have identified and characterized the thermodynamically stable and metastable elusive polymorphs of aromatic sulfonamides 1 and 2 and sulfoesters 3 and 4. However, these compounds eluded polymorphism during crystallisation from various common solvents/conditions and only produced thermodynamically stable crystals forms (form I crystals). Surprisingly, exploitation of pyrazinamide as an additive in different stoichiometric ratios during crystallization gave elusive polymorphs [three for 1 (form 1II, form 1III, and form 1IV) and one each for 2 (form 2II), 3 (form 3II), and 4 (form 4II)]. Molecules in stable crystal forms of these compounds are linked via extended chains of parallel displaced pi...pi stacking interactions that seem to play a vital role in driving the self-assembly of molecules and subsequently governing the nucleation process. In contrast, molecules in metastable polymorphs are devoid of such extended pi-stacking assemblies. Interestingly, differential scanning calorimetry, hot stage microscopy, and X-ray crystallographic studies confirmed the thermal crystal-to-crystal transition of all three metastable polymorphs of 1 (form 1II, form 1III, and form 1IV) to its thermodynamically stable crystal form (form 1I). Conformational analysis of molecule 1 using density functional theory calculations also validated higher stability for syn conformation (observed in Form 1I crystals) over anti and midway conformations (seen in metastable polymorphs). Melt crystallization of form 1I crystals of 1 on the larger face (001) of delta-pyrazinamide and lattice matching analysis (GRACE) revealed that the layered arrangement of molecules of delta-pyrazinamide (on 001 face) during heterogeneous nucleation acts as a template (heteroepitaxy) to provide a preferential site for the nucleation of new metastable polymorphs by selectively inhibiting the most preferred crystal form from growing into the nucleus. Solution state one- and two-dimensional (NOESY) H-1 NMR, scanning electron microscopy, and a Cambridge Structural Database survey were conducted to substantiate the role of additives during crystallization.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.6b00204}, author = {Gawade, Rupesh L. and Chakravarty, Debamitra K. and Kotmale, Amol and Sangtani, Ekta and Joshi, Pranaya V. and Ahmed, Awais and Mane, Manoj V. and Das, Susanta and Vanka, Kumar and Rajamohanan, Pattuparambil R. and Puranik, Vedavati G. and Gonnade, Rajesh G.} } @article { ISI:000378790600010, title = {Anti-oxidant properties of ficus religiosa L. Bark extract on human keratinocytes}, journal = {Science of Advanced Materials}, volume = {8}, number = {6}, year = {2016}, month = {JUN}, pages = {1221-1226}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Ficus religiosa (Sacred Fig) is a medicinally important tree, native to the Indian subcontinent. It has been extensively pharmacologically researched species having wide spectrum of medicinal properties. All parts of F. religiosa tree are known to possess important medicinal properties such as anti-oxidant, anti-inflammatory, wound healing and skin diseases etc. However, effects of F. religiosa on skin cells line HaCaT was not studied for its antioxidant properties. In this report we have investigated F. religiosa bark aqueous extract for its antioxidant properties on human keratinocytes (HaCaT) cell line using DPPH, superoxide dismutase 1, superoxide dismutase 2 and catalase assay. We observed that F. religiosa bark aqueous extract efficiently scavenged (80\%) DPPH radicals. Superoxide dismutase1 assay of F. religiosa bark aqueous extract effectively scavenged superoxide radicals (O-2(-)) and showed dose dependent activity. Reactive oxygen species were trapped by superoxide dismutase 2 assay of F. religiosa bark aqueous extract and form hydrogen peroxide. Catalase assay results revelled that hydrogen peroxide was further decomposed to give water and oxygen. Thus various anti-oxidant assays of F. religiosa bark aqueous extract indicate that it efficiently reduced the reactive oxygen species in skin cells.

}, keywords = {Anti-Oxidant, Catalase Assay, DPPH Assay, Ficus religiosa, Keratinocyte HaCaT Cell Line, Moraceae, SOD Assay}, issn = {1947-2935}, doi = {10.1166/sam.2016.2740}, author = {Dixit, Shailesh S. and Kulkarni, Atul and Seo, Hyo Hyun and Gadgil, Jayant and Dingre, Medini and Umar, Ahmad and Moh, Sang Hyun and Parasharami, Varsha A.} } @article { ISI:000382713800008, title = {Application of roof-shape amines as chiral solvating agents for discrimination of optically active acids by NMR spectroscopy: study of match-mismatch effect and crystal structure of the diastereomeric salts}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {17}, year = {2016}, month = {SEP}, pages = {7384-7392}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Optically active roof-shape amines were prepared and scanned as chiral solvating agents to study molecular recognition of acids by NMR analysis. Three types of amines were studied to establish a match mismatch effect for structurally diverse acid analytes. Single-crystal X-ray diffraction analysis was performed on the diastereomeric salts of roof shape amines and both isomers of mandelic acid to establish molecular conformation and correlate the absolute configuration with the observed NMR shift. The present system also recognizes the two isomers of weakly acidic BINOL and its derivatives.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.6b00935}, author = {Gupta, Riddhi and Gonnade, Rajesh G. and Bedekar, Ashutosh V.} } @article {42417, title = {Aryne [2,3] stevens rearrangement}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {OCT}, pages = {5428-5431}, abstract = {

Arynes are employed in the transition-metal-free and mild [2,3] Stevens rearrangement of tertiary allylic amines for the synthesis of functionalized homoallylic amines in moderate to good yield with a broad substrate scope. The key nitrogen ylide intermediate was generated by the N-arylation of allyl amines using arynes. Moreover, the reaction of chiral allyl amines with arynes resulted in the enantiospecific synthesis of homoallylic amines. In addition, preliminary studies on the [1,2] Stevens rearrangement is also presented.

}, doi = {10.1021/acs.orglett.6b02809}, author = {Roy, Tony and Thangaraj, Manikandan and Kaicharla, Trinadh and Kamath, Rupa V. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {42830, title = {Attempt to correlate surface physics and chemical properties : molecular beam and Kelvin probe investigations of Ce 1-x Zr x O 2 thin films}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, year = {2016}, month = {SEP}, pages = {27594-27602}, type = {Article}, abstract = {

What is the correlation between physical properties of the surfaces (such as surface potential, electronic nature of the surface), and chemical and catalysis properties (such as chemisorption, sticking probability of surface)? An attempt has been made to explore any correlation that might exist between the physical and chemical properties of thin film surfaces. Kelvin probe microscopy (KPM) and the molecular beam (MB) methods were employed to carry out the surface potential, and oxygen adsorption and oxygen storage capacity (OSC) measurements on Ce1-xZrxO2 thin films. A sol{\textendash}gel synthesis procedure and spin-coating deposition method have been applied to make continuous nanocrystalline Ce1-xZrxO2 (x = 0{\textendash}1) (CZ) thin films with uniform thickness (35{\textendash}50 nm); however, surface roughness and porosity inherently changes with CZ composition. MB studies of O2 adsorption on CZ reveal high OSC for Ce0.9Zr0.1O2, which also exhibits highly porous and significantly rough surface characteristics. The surface potential observed from KPM studies varied between 30 and 80 mV, with Ce-rich compositions exhibiting the highest surface potential. Surface potential shows large changes after reduction or oxidation of the CZ film demonstrating the influence of Ce3+/Ce4+ on surface potential, which is also a key to catalytic activity for ceria-based catalysts. The surface potential measured from KPM and the OSC measured from MB vary linearly and they depend on the Ce3+/Ce4+ ratio. More and detailed studies are suggested to arrive at a correlation between the physical and chemical properties of the surfaces.

}, issn = {1463-9076}, doi = {10.1039/C6CP04700A}, author = {Kolekar, Sadhu K. and Dubey, Anjani and Date, Kalyani S. and Datar, Suwarna and Gopinath, Chinnakonda S.} } @article {42844, title = {Au(I)/Ag(I) co-operative catalysis: interception of Ag-bound carbocations with α-gold(I) enals in the imino-alkyne cyclizations with N-allenamides}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {NOV}, pages = {14462-14465}, doi = {10.1039/C6CC08385D}, author = {Bagle, Pradip N. and Mane, Manoj V. and Vanka, Kumar and Shinde, Dinesh R. and Shaikh, Samir R. and Gonnade, Rajesh G. and Patil, Nitin T.} } @article { ISI:000380574100066, title = {Azadirachta indica triterpenoids promote osteoblast differentiation and mineralization in vitro and in vivo}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {15}, year = {2016}, month = {AUG}, pages = {3719-3724}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Terpenoids were isolated using chromatographic purification through solvent purification technique and identified as Azadirone (1), Epoxyazadiradione (2) Azadiradione (3) Gedunin (4) Nimbin (5) Salannin (6) Azadirachtin A (7) and Azadirachtin B (8) from Azadirachta indica. Out of eight compounds, only three compounds had osteogenic activity and enhanced osteoblast proliferation, differentiation and mineralization in osteoblast cells. Active compounds stimulated osteogenic genes ALP, RunX-2 and OCN expressions in vitro, but Azadirachtin A had a maximum ability to stimulate osteoblast differentiation and mineralization compared to other two active compounds. For in vivo study, Azadirachtin A injected subcutaneously in pups, which enhanced osteogenic gene expressions and promoted bone formation rate significantly. Here, we conclude that active compounds of Azadirachta indica have osteogenic activity and Azadirachtin A has a beneficial effects on bone. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {ALP and mineralization assay, Balb/c mice pups, Calvarial osteoblast cells, Gene expressions}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.05.076}, author = {Kushwaha, Priyanka and Khedgikar, Vikram and Haldar, Saikat and Gautam, Jyoti and Mulani, Fayaj A. and Thulasiram, Hirekodathakallu V. and Trivedi, Ritu} } @article {43440, title = {Azadirachtin a interacts with er alpha domain and regulates bone formation}, journal = {Osteoporosis International}, volume = {27}, year = {2016}, month = {NOV}, pages = {S778-S778}, type = {Meeting Abstract}, author = {Kushwaha, P. and Khedgikar, V. and Gautam, J. and Kumar, A. and Thulasiram, Hirekodathakallu V. and Mishra, P. R. and Trivedi, P. K. and Trivedi, R.} } @inbook {45837, title = {Balancing omega-6: Omega-3 ratios in oilseeds}, booktitle = {Omega-3 fatty acids: keys to nutritional health}, year = {2016}, pages = {203-220}, publisher = {Springer International Publishing}, organization = {Springer International Publishing}, abstract = {Fats and oils are the essential constituents of human diet, and nearly 80 \% of these are obtained from plants. The predominant fatty acids present in plant oils are saturated and unsaturated compounds with straight aliphatic chains of carbon atoms and a single carboxyl group. Depending on the position of the first double bond from the methyl end in the fatty acyl chain, the mono- and polyunsaturated fatty acids can be denoted as -9, -6, or -3. Excess consumption of -6 fatty acids has greatly and unfavorably increased the -6: -3 ratio up to 25:1, which is associated with prevalence of many negative health effects, including cardiovascular diseases, cancer, osteoporosis, and inflammatory and autoimmune diseases. Because the -3 fatty acids (FAs) are the precursors for synthesis of anti-inflammatory eicosanoids, balancing the -6: -3 ratio is vital. The easiest approach to achieve this would be consumption of oils rich in -3 FAs, such as linseed oil. Alternatively, the fatty acid biosynthetic pathway in plants producing high -6 FAs can be altered by biotechnological means, so that they produce higher proportion of -3 FAs. This chapter describes the current knowledge of the fatty acid biosynthesis pathway in plants, including the genes involved, their temporal and spatial expression patterns, and various fluxes that they drive. The choice of oilseeds, genes, and promoters for modulating the fatty acid biosynthesis flux from -6 to -3 fatty acids is also dealt with. The potential hurdles in achieving these and possible solutions have also been described.}, doi = {10.1007/978-3-319-40458-5_15}, author = {Chirmade, T. P. and Sanghi, S. and Rajwade, A .V. and Gupta, V. S. and Kadoo, N. Y.} } @article {43051, title = {Benz{\textendash}amidinato stabilized a monomeric calcium Iodide and a lithium calciate(II) cluster featuring group 1 and group 2 elements}, journal = {ChemistrySelect}, volume = {1}, year = {2016}, month = {APR}, pages = {1066{\textendash}1071}, abstract = {

Soluble calcium halides reported so far are mostly dimeric in nature. The halides occupy the bridging position and thus provide additional coordination to the metal. We obtained a monomeric calcium iodide [{PhC(NiPr)(2)} CaI(thf)(3)] (1) from the reaction of [PhC(NiPr)(2)] Li with Cal(2) in THF. The compound has been stabilized by electronic donation and steric shielding from the amidinate ligand as well as coordination of three THF molecules. 1 does not show any propensity towards ligand exchange reaction. When the same reaction is carried out in diethyl ether instead of THF, it led to the formation of a Li calciate(II) cluster of composition L2Ca4I8Li4O (L= PhC(NiPr)(2)) (2) with an encapsulated O2+ in the middle of a tetrahedron spanned by four Ca2+ ions. 2 represents a metal-rich halide comprising of both alkali and alkaline earth metals which is quite unprecedented. Another notable aspect is that the amidinate ligand binds to the calcium atom in chelating bidentate mode in 1, whereas in 2 each N atom of the amidinate ligands binds to two Ca atoms leading to bridging bis-chelating coordination mode.

}, doi = {10.1002/slct.201600285}, author = {Yadav, Sandeep and Swamy, V. S. V. S. N. and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {43614, title = {Bilayer cryogel wound dressing and skin regeneration grafts for the treatment of acute skinwounds}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {JUN}, pages = {15145-15159}, abstract = {In this study, the potential of cryogel bilayer wound dressing and skin regenerating graft for the treatment of surgically created full thickness wounds was evaluated. The top layer was composed of polyvinylpyrrolidone-iodine (PVP-I) and served as the antiseptic layer, while the bottom regenerative layer was made using gelatin cryogel. Both components of the bilayer showed typical features of a cryogel interconnected macropore network, rapid swelling, high water uptake capacity of about 90\%. Both PVP and gelatin cryogel showed high tensile strength of 45 and 10 kPa, respectively. Gelatin cryogel sheets were essentially elastic and could be stretched without any visible deformation. The antiseptic PVP-I layer cryogel sheet showed sustained iodine release and suppressed microbial growth when tested with skin pathogens (zone of inhibition cm for sheet of 0.9 cm diameter). The gelatin cryogel sheet degraded in vitro in weeks. The gelatin cryogel sheet supported cell infiltration, attachment, and proliferation of fibroblasts and keratinocytes. Microparticles loaded with bioactive molecules (mannose-6-phosphate and human fibrinogen) were also incorporated in the gelatin cryogel sheets for their role in enhancing skin regeneration and scar free wound healing. In vivo evaluation of healing capacity of the bilayer cryogel was checked in rabbits by creating full thickness wound, defect (diameter 2 cm). Macroscopic and microscopic observation at regular time intervals for 4 weeks demonstrated better and faster skin regeneration in the wound treated with cryogel bilayer as compared to untreated defect and the repair was comparable to commercial skin regeneration scaffold Neuskin-F. Complete skin regeneration was observed after 4 weeks{\textquoteright} of implantation with no sign of inflammatory response. Defects implanted with cryogel having mannose-6-phosphate showed no scar formation,, while the wound treated with bilayer incorporated with human fibrinogen microparticles showed early signs of skin regeneration; epidermis formation occurred at 2 weeks after implantation.}, doi = {10.1021/acsami.6b04711}, author = {Priya, S. Geetha and Gupta, Ankur and Jain, Era and Sarkar, Joyita and Damania, Apeksha and Jagdale, Pankaj R. and Chaudhari, Bhushan P. and Gupta, Kailash C. and Kumar, Ashok} } @article {42832, title = {Bimetallic and plasmonic Ag-Au on TiO2 for solar water splitting : an active nanocomposite for entire visible light region absorption}, journal = {Chemcatchem}, volume = {8}, year = {2016}, month = {OCT}, pages = {3294-3301}, abstract = {

The current study demonstrates a potential method for maximum utilization of the entire visible light region of the solar spectrum by designing a plasmonic-metals semiconductor composite. A combination of Ag+Au nanoclusters would broaden the visible-light absorption at least between 400 and 650nm. This hypothesis was evaluated through solar water splitting (SWS) activity of Au-TiO2, Ag-TiO2, and Ag on Au-TiO2 (AgAuT) composites. AgAuT bimetallic nanocomposite shows the maximum apparent quantum yield of 3.3\% with hydrogen generation (718molh.g(-1)) from aqueous methanol, and overall water splitting activity (7molg.h(-1), AQY=0.04\%) under one sun conditions. Enhanced photocatalytic activity of AgAuT is partly attributed to the formation of hot electrons. A thin layer of Ag coating on Au particles leads to a core-shell morphology with Au in the core. Fermi level equilibration between metal and titania, and Schottky junction formation are directly demonstrated. The strong electronic interaction between Ag and Au, and with TiO2 is evident from its electron rich character and confirmed by Raman spectroscopy, X-ray photoelectron spectroscopy, photoluminescence, and high-resolution TEM measurements. Electronic factors seem to be responsible for the high rate of hydrogen production.

}, doi = {10.1002/cctc.201600937}, author = {Patra, Kshirodra K. and Gopinath, Chinnakonda S.} } @article {42555, title = {Biosynthesis of anti-proliferative gold using endophytic fusarium oxysporum strain isolated from neem (A-indica) leaves}, journal = {Current topics in medicinal chemistry}, volume = {16}, year = {2016}, month = {JAN}, pages = {2036-2042}, abstract = {

Here we report a simple, rapid, environment friendly approach for the synthesis of gold nanoparticles using neem (Azadirachta indica A. Juss.) fungal endophyte, which based upon morphological and cultural characteristics was eventually identified as Fusarium oxysporum. The aqueous precursor (HAuCl4) solution when reacted with endophytic fungus resulted in the biosynthesis of abundant amounts of well dispersed gold nanoparticles of 10-40 nm with an average size of 22nm. These biosynthesized gold nanoparticles were then characterized by standard analytical techniques such as UV-Visible spectroscopy, X-ray diffraction, Transmission Electron Microscopy and Fourier Transform Infrared Spectroscopy. Cytotoxic activity of these nanoparticles was checked against three different cell types including breast cancer (ZR-75-1), Daudi (Human Burkitt{\textquoteright}s lymphoma cancer) and normal human peripheral blood mononuclear cells (PBMC), where it was found that our gold nanoparticles are anti-proliferative against cancer cells but completely safe toward normal cells. In addition to this, assessment of toxicity toward human RBC revealed less than 0.1 \% hemolysis as compared to Triton X-100 suggesting safe nature of our biosynthesized gold nanoparticles on human cells. Also, our nanoparticles exhibited no anti-fungal (against Aspergillus niger) or anti-bacterial [against Gram positive (Bacillus subtilis \& Staphylococcus aureus) and Gram negative (Escherichia coli \& Pseudomonas aeruginosa) bacteria] activity thus suggesting their non-toxic, biocompatible nature. The present investigation opens up avenues for eco-friendly, biocompatible nanomaterials to be used in a wide variety of application such as drug delivery, therapeutics, theranostics and so on.

}, doi = {10.2174/1568026616666160215160644}, author = {Siddiqui, Ejaz Ahmad and Ahmad, Absar and Julius, Anju and Syed, Asad and Khan, Shadab and Kharat, Mahesh and Pai, Kalpana and Kadoo, Narendra Y. and Gupta, Vidya} } @article {43634, title = {Biosynthesis of fluorescent Bi2S3 nanoparticles and their application as dual-functionSPECT-CT probe for animal imaging}, journal = {Current Topics In Medicinal Chemistry}, volume = {16}, year = {2016}, month = {OCT}, pages = {2019-2025}, abstract = {Bismuth sulphide (Bi2S3) is an excellent semiconductor and its nanoparticles have numerous significant applications including photovoltaic materials, photodiode arrays, bio-imaging, etc. Nevertheless, these nanoparticles when fabricated by chemical and physical routes tend to easily aggregate in colloidal solutions, are eco-unfriendly, cumbrous and very broad in size distribution. The aim of the present manuscript was to ecologically fabricate water dispersible, safe and stable Bi2S3 nanoparticles such that these may find use in animal imaging, diagnostics, cell labeling and other biomedical applications. Herein, we for the first time have biosynthesized highly fluorescent, natural protein capped Bi2S3 nanoparticles by subjecting the fungus Fusarium oxysporum to bismuth nitrate pentahydrate [Bi(NO3)(3).5H(2)O] alongwith sodium sulphite (Na2SO3) as precursor salts under ambient conditions of temperature, pressure and pH. The nanoparticles were completely characterized using recognized standard techniques. These natural protein capped Bi2S3 nanoparticles are quasi-spherical in shape with an average particle size of 15 nm, maintain long term stability and show semiconductor behavior having blue shift with a band gap of 3.04 eV. Semiconductor nanocrystals are fundamentally much more fluorescent than the toxic fluorescent chemical compounds (fluorophores) which are presently largely employed in imaging, immunohistochemistry, biochemistry, etc. Biologically fabricated fluorescent nanoparticles may replace organic fluorophores and aid in rapid development of biomedical nanotechnology. Thus, biodistribution study of the so-formed Bi2S3 nanoparticles in male Sprague Dawley rats was done by radiolabelling with Technitium-99m (Tc-99m) and clearance time from blood was calculated. The nanoparticles were then employed in SPECT-CT probe for animal imaging where these imparted iodine equivalent contrast.}, doi = {10.2174/1568026616666160215155347}, author = {Uddin, Imran and Ahmad, Absar and Siddiqui, Ejaz Ahmad and Rahaman, Sk. Hasanur and Gambhir, Sanjay} } @article {43407, title = {Budding trends in integrated pest management using advanced micro- and nano-materials: challenges and perspectives}, journal = {Journal of Environmental Management}, volume = {184}, year = {2016}, month = {DEC}, pages = {157-169}, abstract = {One of the most vital supports to sustain human life on the planet earth is the agriculture system that has been constantly challenged in terms of yield. Crop losses due to insect pest attack even after excessive use of chemical pesticides, are major concerns for humanity and environment protection. By the virtue of unique properties possessed by micro and nano-structures, their implementation in Agri-biotechnology is largely anticipated. Hence, traditional pest management strategies are now forestalling the potential of micro and nanotechnology as an effective and viable approach to alleviate problems pertaining to pest control. These technological innovations hold promise to contribute enhanced productivity by providing novel agrochemical agents and delivery systems. Application of these systems engages to achieve: i) control release of agrochemicals, ii) site-targeted delivery of active ingredients to manage specific pests, iii) reduced pesticide use, iv) detection of chemical residues, v) pesticide degradation, vi) nucleic acid delivery and vii) to mitigate post-harvest damage. Applications of micro and nano-technology are still marginal owing to the perception of low economic returns, stringent regulatory issues involving safety assessment and public awareness over their uses. In this review, we highlight the potential application of micro and nano-materials with a major focus on effective pest management strategies including safe handling of pesticides. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.jenvman.2016.09.071}, author = {Khandelwal, Neha and Barbole, Ranjit S. and Banerjee, Shashwat S. and Chate, Govind P. and Biradar, Ankush V. and Khandare, Jayant J. and Giri, Ashok P.} } @article {45839, title = {Capsicum annuum proteinase inhibitor ingestion negatively impacts the growth of sorghum pest Chilo partellus and promotes differential protease expression}, journal = {Biochemistry and Biophysics Reports}, volume = {78}, year = {2016}, month = {DEC}, pages = {302-309}, type = {Article}, abstract = {Background Chilo partellus is an important insect pest infesting sorghum and maize. The larvae internalize in the stem, rendering difficulties in pest management. We investigated the effects of Capsicum annuum proteinase inhibitors (CanPIs) on C. partellus larvae by in-vitro and in-vivo experiments. Methods Recombinant CanPI-7 (with four-Inhibitory Repeat Domains, IRDs), -22 (two-IRDs) and insect proteinase activities were estimated by proteinase assays, dot blot assays and in gel activity assays. Feeding bioassays of lab reared C. partellus with CanPI-7 and -22 were performed. C. partellus proteinase gene expression was done by RT-PCR. In-silico structure prediction of proteinases and CanPI IRDs was carried out, their validation and molecular docking was done for estimating the interaction strength. Results Larval proteinases of C. partellus showed higher activity at alkaline pH and expressed few proteinase isoforms. Both CanPIs showed strong inhibition of C. partellus larval proteinases. Feeding bioassays of C. partellus with CanPIs revealed a dose dependent retardation of larval growth, reduction of pupal mass and fecundity, while larval and pupal periods increased significantly. Ingestion of CanPIs resulted in differential up-regulation of C. partellus proteinase isoforms, which were sensitive to CanPI-7 but were insensitive to CanPI-22. In-silico interaction studies indicated the strong interaction of IRD-9 (of CanPI-22) with Chilo proteinases tested. Conclusions Of the two PIs tested, CanPI-7 prevents induction of inhibitor insensitive proteinases in C. partellus so it can be explored for developing C. partellus tolerance in sorghum. General significance Ingestion of CanPIs, effectively retards C. partellus growth; while differentially regulating the proteinases.}, doi = {10.1016/j.bbrep.2016.09.016}, author = {Jadhav, A. R. and War, A. R. and Nikam, A. N. and Adhav, A. S. and Gupta, V. S. and Sharma, H. C. and Giri, A. P. and Tamhane, V.A.} } @inbook {45843, title = {Catalyst deactivation and regeneration}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {187-219}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {

Catalysis plays a vital role in the manufacture of fuels, industrial chemicals, fine chemicals, and specialty chemicals. A catalyst is not only expected to be highly active, it should be stable for long hours on stream and should be recyclable, if required. However, in reality, all the catalysts have finite life. Hence, a most important goal of any catalyst development is to get a catalyst that is highly active for long periods without needing any regeneration. This chapter addresses various causes of catalyst deactivation with reference to different catalyst systems. It discusses various forms coke (carbon) forms on catalysts and the side reactions that drive their formation. The role of support on carbon formation as well as how carbon can be limited using bimetallic catalysts is discussed. Various mechanisms responsible for sintering of metals have been discussed while suggesting means to suppress the same. This chapter also discusses loss of catalyst activity due to strong chemisorption of impurities or byproducts. Typical poisons to different catalysts are listed. The effect of various poisons and how they can influence the course of a catalytic reaction are described. A catalyst may also lose its activity due to mechanical failures such as (i) crushing of catalyst pellets or granules, (ii) breakup of catalyst pellets followed by its attrition, and (iii) erosion of catalyst particles or monolith wash coats. Various solutions to prevent or delay catalyst deactivation as well as various catalyst regeneration methods are summarized.

}, doi = {10.1016/B978-0-12-801457-8.00005-7}, author = {Satyanarayana, C. V. and Srikant, D. and Gurav, H. R.} } @inbook {45844, title = {Catalytic reaction engineering}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {263-314}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {hemical reaction engineering has contributed remarkably in bringing laboratory-developed chemistry into commercial practice. Reaction engineering is useful for analysis of reactions, identifying rate-limiting steps, determining overall rates, selection of reactor configuration and design and scale-up of reactors. Reaction engineering also provides useful insights into catalytic cycles and provides clues for improving catalyst systems. It essentially includes all the activities necessary to evolve best possible hardware and operating protocol for the reactor to carry out the desired transformation of raw materials (or reactants) into value-added products. This chapter provides an overview of reaction engineering aspects of catalytic processes.}, doi = {10.1016/B978-0-12-801457-8.00007-0}, author = {Gunjal, P. R. and Ranade, V. V.} } @article { ISI:000378725800123, title = {Catecholase and phenoxazinone synthase activities of a ferromagnetically coupled tetranuclear Cu(II) complex}, journal = {RSC Advances}, volume = {6}, number = {63}, year = {2016}, month = {JUN}, pages = {58831-58838}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A crystallographically characterized tetranuclear Cu(II) complex [Cu-4(II)(L)(4)] (1) [H2L = N-(2-hydroxyethyl)-3-methoxysalicylaldimine] is found to show overall ferromagnetic exchange coupling. Complex (1) mimics the catalytic activity of the plant enzyme catechol oxidase by oxidising 3,5-di-tert-butylcatechol to its corresponding quinone in methanol and dichloromethane medium in the presence of aerial oxygen. The reaction follows Michaelis-Menten enzymatic reaction kinetics with turnover numbers (K-cat) 6.99 x 10(3) and 1.85 x 10(3) h(-1) in methanol and dichloromethane, respectively. 1 is also phenoxazinone synthase active in methanol medium with a turnover number of 1.21 x 10(5) h(-1).

}, issn = {2046-2069}, doi = {10.1039/c6ra11433d}, author = {Mitra, Merry and Kundu, Tanay and Kaur, Gurpreet and Sharma, Gyaneswar and Choudhury, Angshuman Roy and Singh, Yogesh and Ghosh, Rajarshi} } @article {42828, title = {C-H activation of methane to formaldehyde on Ce1-xZrxO2 thin films: a step to bridge the material gap}, journal = {ChemCatChem}, volume = {8}, year = {2016}, month = {DEC}, pages = {3650{\textendash}3656}, type = {Article}, abstract = {

Ce1-xZrxO2 (CZ) thin films were prepared by a combination of sol{\textendash}gel and spin-coating methods and were evaluated for the C-H activation of methane by using a molecular beam set-up with the aim to bridge the material gap. The C-H activation of methane begins at 950 K, and a Ce-rich CZ composition displays a high selectivity (4{\textendash}12 \%) to the partially oxidised product, formaldehyde. A 10{\textendash}12 \% selectivity towards HCHO with 1.6 \% methane conversion was observed with methane-rich CH4/O2 reactant compositions at 1050 K. Short contact times, prevalent under molecular beam conditions, could be a possible reason for HCHO formation. Although combustion products were observed instantly upon shining the mixture of reactants on CZ surfaces, up to 20 s delay was observed before formaldehyde generation, which indicates that the oxygen vacancy migration contributes to the rate-determining step and the diffusion-controlled nature of the reaction. A burst in HCHO generation at the point of molecular beam opening, after beam-closed conditions, suggests that the diffusion of oxygen vacancies to the surface is the reason for HCHO formation. Kinetics results also indicate the necessity of reduction sites for HCHO generation.

}, doi = {10.1002/cctc.201600670}, author = {Dubey, Anjani and Kolekar, Sadhu K. and Gopinath, Chinnakonda S.} } @article {42856, title = {C-H activation of methane to syngas on MnxCe1-x-yZryO2 - a molecular beam study}, journal = {Chemcatchem}, volume = {8}, year = {2016}, month = {JUL}, pages = {2296-2306}, type = {Article}, abstract = {

Mn-doped ceria zirconia thin films (MnxCe1-x-yZryO2, MCZ) were employed as flat model catalyst surfaces for CH4 activation. MCZ films exhibit characteristics of single crystal and powder materials, such as smooth surfaces and porosity. From molecular-beam studies, it has been identified that the oxygen storage capacity increases with Mn content. Mutually exclusive observation of H2O or a mixture of products (CO2+ CO + H-2) occurs, when the reactants was allowed to react directly on MCZ, underscoring their formation or prevention (and consumption), respectively. The results suggest that there is competition and cooperation among different elementary reactions under complementary conditions. From a significant partial oxidation of CH4 through C-H activation, it is found that formation of syngas begins at 700 K and the reaction rate increases with increasing temperature. Kinetic evidences indicate that the reaction proceeds through a combustion-reformation pathway.

}, doi = {10.1002/cctc.201600365}, author = {Dubey, Anjani and Kolekar, Sadhu K. and Gopinath, Chinnakonda S.} } @article {43431, title = {Characterization of roseomonas and nocardioides spp. for arsenic transformation}, journal = {Journal of Hazardous Materials}, volume = {318}, year = {2016}, month = {NOV}, pages = {742-750}, abstract = {The metalloid arsenic predominantly exists in the arsenite [As(III)] and arsenate [As(V)]. These two forms are respectively oxidized and reduced by microbial redox processes. This study was designed to bioprospect arsenic tolerating bacteria from Lonar lake and to characterize their arsenic redoxing ability. Screening of sixty-nine bacterial species isolated from Lonar lake led to identification of three arsenic oxidizing and seven arsenic-reducing species. Arsenite oxidizing isolate Roseomonas sp. L-159a being closely related to Roseomonas cervicalis ATCC 49957 oxidized 2 mM As(III) in 60 h. Gene expression of large and small subunits of arsenite oxidase respectively showed 15- and 17-fold higher expression. Another isolate Nocardioides sp. L-37a formed a clade with Nocardioides ghangwensis JC2055, exhibited normal growth with different carbon sources and pH ranges. It reduced 2 mM As(V) in 36 h and showed constitutive expression of arsenate reductase which increased over 4-fold upon As(V) exposure. Genetic markers related to arsenic transformation were identified and characterized from the two isolates. Moderate resistance against the arsenicals was exhibited by the two isolates in the range of 1-5 mM for As(III) and 1-200 mM for As(V). Altogether we provide multiple evidences to indicate that Roseomonas sp. and Nocardioides sp. exhibited arsenic transformation ability. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jhazmat.2016.07.062}, author = {Bagade, Aditi V. and Bachate, Sachin P. and Dholakia, Bhushan B. and Giri, Ashok P. and Kodam, Kisan M.} } @article { ISI:000378450800001, title = {Characterization of two coleopteran alpha-amylases and molecular insights into their differential inhibition by synthetic alpha-amylase inhibitor, acarbose}, journal = {Insect Biochemistry and Molecular Biology}, volume = {74}, year = {2016}, month = {JUL}, pages = {1-11}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Post-harvest insect infestation of stored grains makes them unfit for human consumption and leads to severe economic loss. Here, we report functional and structural characterization of two coleopteran alpha-amylases viz. Callosobruchus chinensis alpha-amylase (CcAmy) and Tribolium castaneum alpha-amylase (TcAmy) along with their interactions with proteinaceous and non-proteinaceous alpha-amylase inhibitors. Secondary structural alignment of CcAmy and TcAmy with other coleopteran alpha-amylases revealed conserved motifs, active sites, di-sulfide bonds and two point mutations at spatially conserved substrate or inhibitor binding sites. Homology modeling and molecular docking showed structural differences between these two enzymes. Both the enzymes had similar optimum pH values but differed in their optimum temperature. Overall, pattern of enzyme stabilities were similar under various temperature and pH conditions. Further, CcAmy and TcAmy differed in their substrate affinity and catalytic efficiency towards starch and amylopectin. HPLC analysis detected common amylolytic products like maltose and maltotriose while glucose and malto-tetrose were unique in CcAmy and TcAmy catalyzed reactions respectively. At very low concentrations, wheat alpha-amylase inhibitor was found to be superior over the acarbose as far as complete inhibition of amylolytic activities of CcAmy and TcAmy was concerned. Mechanism underlying differential amylolytic reaction inhibition by acarbose was discussed. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Acarbose, alpha-amylase, alpha-amylase inhibitor, Callosobruchus chinensis, Coleoptera, Tribolium castaneum}, issn = {0965-1748}, doi = {10.1016/j.ibmb.2016.04.009}, author = {Channale, Sonal M. and Bhide, Amey J. and Yadav, Yashpal and Kashyap, Garima and Pawar, Pankaj K. and Maheshwari, V. L. and Ramasamy, Sureshkumar and Giri, Ashok P.} } @article { ISI:000375969000056, title = {Charge delocalization in the cascade band structure CdS/CdSe and CdS/CdTe core-shell sensitized with Re(I)-polypyridyl complex}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {18}, year = {2016}, month = {MAY}, pages = {10051-10061}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Charge-carrier dynamics of CdS quantum dot (QD) and CdS/CdSe type-I and CdS/CdTe type-II core shell nanocrystals (NCs) sensitized with a Re(I)-polypyridyl complex have been carried with special emphasis on studies on carrier delocalization and the role of Re-complex as a hole acceptor and sensitizer molecule. Our investigation confirmed photoexcited hole transfer from CdS and CdS/CdSe to the Re-complex, while no hole transfer was observed in the CdS/CdTe Re-complex system. This was rationalized by the evaluation of the relative energy levels, which revealed that such hole migration was not energetically favorable due to low-lying highest occupied molecular orbital (HOMO) of the Re-complex as compared with the valence band (VB) of CdTe shell; however, luminescence quenching from upper excited states of Re-complex was observed in the presence of all three QD and core shell systems, which has been attributed to electron injection from hot state (energetically higher than the LUMO state) of the Re-complex to the conduction band (CB) of the QDs. Transient absorption (lambda(pump) = 400 nm, lambda(probe) = 450-750 nm) spectra recorded for Re complex-sensitized CdS and CdS/CdSe composite in the femtosecond time domain revealed a broad transient absorption band in the 580-750 nm region with a peak around 595 nm, and this was attributed to the cation radical formation for Re-complex, either by capturing photoexcited hole from the NCs or by injecting electron to the CB of the NCs. As anticipated, no such spectrum was observed for the CdS/CdTe Re-complex composite system after 400 nm excitation. Electron injection from photoexcited Re-complex to CdS QD and CdS/CdSe core shell was found to be \<100 fs, while the hole transfer from photoexcited CdS QD and CdS/CdSe core shell to Re-complex took place within the time scale of 900 fs and 2.5 ps, respectively.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.6b01654}, author = {Maity, Partha and Debnath, Tushar and Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article {43574, title = {"Click" polymerization: a convenient strategy to prepare designer fullerene materials}, journal = {Materials \& Design}, volume = {108}, year = {2016}, month = {OCT}, pages = {34-41}, abstract = {"Click" polymeric assemblies of fullerenes, thiophenes and aryl compounds were prepared for the first time to study their spectroscopic/chemical/electronic characteristics and possible applications in photovoltaic cells. The GPC and NMR spectroscopic data confirmed a moderate to high degree of polymerization while microscopic pictures showed well-defined arrangements of fullerenes. The FTIR studies indicated that the product is free from starting azide materials, whereas thermogravimetric analysis data suggested a good stability. Band gap of the material was determined using UV-Vis spectroscopy, cyclic voltammetric techniques and compared with computational investigation. The fullerene copolymer was fabricated as acceptor material in a bulk heterojunction photovoltaic cell. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.matdes.2016.06.059}, author = {Krishnamurthy, Munusamy and Krishnamoorthy, Kothandam and Arulkashmir, Arulraj and Raghavendra, V. and Murali, Adhigan and Jaisankar, Sellamuthu N. and Murugan, P. and Gurusamy-Thangavelu, Senthil A. and Nasar, A. Sultan and Mandal, Asit Baran and Samanta, Debasis} } @article {42999, title = {Comparative functional characterization of eugenol synthase from four different ocimum species: implications on eugenol accumulation}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1864}, year = {2016}, month = {NOV}, pages = {1539-1547}, abstract = {

Isoprenoids and phenylpropanoids are the major secondary metabolite constituents in Ocimum genus. Though enzymes from phenylpropanoid pathway have been characterized from few plants, limited information exists on how they modulate levels of secondary metabolites. Here, we performed phenylpropanoid profiling in different tissues from five Ocimum species, which revealed significant variations in secondary metabolites including eugenol, eugenol methyl ether, estragole and methyl cinnamate levels. Expression analysis of eugenol synthase (EGS) gene showed higher transcript levels especially in young leaves and inflorescence; and were positively correlated with eugenol contents. Additionally, transcript levels of coniferyl alcohol acyl transferase, a key enzyme diverting pool of substrate to phenylpropanoids, were in accordance with their abundance in respective species. In particular, eugenol methyl transferase expression positively correlated with higher levels of eugenol methyl ether in Ocimum tenuiflorum. Further, EGSs were functionally characterized from four Ocimum species varying in their eugenol contents. Kinetic and expression analyses indicated, higher enzyme turnover and transcripts levels, in species accumulating more eugenol. Moreover, biochemical and bioinformatics studies demonstrated that coniferyl acetate was the preferred substrate over coumaryl acetate when used, individually or together, in the enzyme assay. Overall, this study revealed the preliminary evidence for varied accumulation of eugenol and its abundance over chavicol in these Ocimum species. Current findings could potentially provide novel insights for metabolic modulations in medicinal and aromatic plants. (C) 2016 Elsevier B.V. All rights reserved.

}, doi = {10.1016/j.bbapap.2016.08.004}, author = {Anand, Atul and Jayaramaiah, Ramesha H. and Beedkar, Supriya D. and Singh, Priyanka A. and Joshi, Rakesh S. and Mulani, Fayaj A. and Dholakia, Bhushan B. and Punekar, Sachin A. and Gade, Wasudeo N. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article { ISI:000368941700025, title = {Comparative study of dG affinity vs. DNA methylation modulating properties of side chain derivatives of procainamide: insight into its DNA hypomethylating effect}, journal = {RSC Advances}, volume = {6}, number = {7}, year = {2016}, month = {JAN}, pages = {5350-5358}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Procainamide derivatives have been synthesized to investigate the role of side chains in modulating the DNA methylation level in cancer cells and gain insight into its mechanism of action. The synthesized derivatives comprised of flexible (dimethyl), constrained (pyrrolidine, piperidine, morpholine) and planar aromatic (pyridine, phenyl) side chain motifs. The affinity of procainamide and its derivatives towards the deoxyguanosine (dG) base in neutral form has been assessed by performing Differential Pulse Voltammetry (DPV) under physiological conditions. Further, molecular docking with hemimethylated CpG rich DNA acquired from an active mDNMT-1-DNA (PDB ID-4DA4) crystal structure, reveals their preferential non-covalent interaction with dG nucleobase in the intercalation cavity of the minor groove. Differential affinity of the derivatives to dG base in neutral and bound forms (DNA) is correlated with their DNA methylation modulating properties at sub-lethal concentrations. Among all the derivatives, a compound with an aromatic phenyl side chain (1) has shown a highest binding affinity for dG nucleobase in neutral form as well as for partially denatured CpG rich DNA which is attributed to the formation of p/p stacking interaction in addition to N-H/O hydrogen bonding with the pyrimidine ring of dG base. It also shows the highest cytotoxicity and global hypomethylation at a sub-lethal level in the MCF-7 cancer cell line compared to other derivatives and procainamide. A docking study has also illustrated the plausible structural basis of DNA methylation modulating a property of procainamide. Strong association of procainamide with dG bases of partially denatured CpG rich DNA via H-bonding and other non-covalent interactions may alter the active topology of DNA required by the DNA-binding regulatory proteins (e. g. DNMT-1) which is validated by a DNMT-1 inhibition assay. This systematic investigation leads to a new potent alternative to procainamide being found and gives a plausible insight into the DNA hypomethylating effect of procainamide.

}, issn = {2046-2069}, doi = {10.1039/c5ra20012a}, author = {Gawade, Rupesh L. and Chakravarty, Debamitra K. and Debgupta, Joyashish and Sangtani, E. and Narwade, S. and Gonnade, Rajesh G. and Puranik, Vedavati G. and Deobagkar, D. D.} } @article { ISI:000380296000007, title = {Controlled synthesis of end-functionalized mannose-6-phosphate glycopolypeptides for lysosome targeting}, journal = {ACS Macro Letters}, volume = {5}, number = {7}, year = {2016}, month = {JUL}, pages = {809-813}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The ubiquitous expression of the mannose-6-phosphate receptor on the majority of human cells makes it a valid target in the quest to deliver therapeutics selectively to the lysosome. In this work end-functionalized polyvalent mannose-6-phosphate glycopolypeptides (M6P-GPs) with high molecular weights (up to 22 kDa) have been synthesized via NCA polymerization. These synthetic M6P-GPs were found to display minimal toxicity to cells in vitro and show exceptional selectivity for trafficking into lysosomes in various cell lines. Comparison of the cellular uptake behavior of M6P-GP and the corresponding mannose-GP polymer reveals that incorporation of the phosphate moiety at the 6-position of mannose completely alters its trafficking behavior and becomes exclusively lysosome specific. We also demonstrate that trafficking of M6P-GPs in mammalian cells is likely associated with the CI-MPR receptor pathway.

}, issn = {2161-1653}, doi = {10.1021/acsmacrolett.6b00297}, author = {Das, Soumen and Parekh, Nimisha and Mondal, Basudeb and Sen Gupta, Sayam} } @article {45827, title = {Coordination polymers of Fe(III) and Al(III) ions with TCA ligand: distinctive fluorescence, CO2 uptake, redox-activity and oxygen evolution reaction}, journal = {Dalton Transactions}, volume = {45}, year = {2016}, month = {FEB}, pages = {6901-6908}, type = {Article}, abstract = {

Fe and Al belong to different groups in the periodic table, one from the p-block and the other from the d-block. In spite of their different groups, they have the similarity of exhibiting a stable 3+ oxidation state. Here we have prepared Fe(III) and Al(III) based coordination polymers in the form of metal-organic gels with the 4,4{\textquoteright}, 4 {\textquoteleft}{\textquoteright}-tricarboxyltriphenylamine (TCA) ligand, namely Fe-TCA and Al-TCA, and evaluated some important physicochemical properties. Specifically, the electrical conductivity, redox-activity, porosity, and electrocatalytic activity (oxygen evolution reaction) of the Fe-TCA system were noted to be remarkably higher than those of the Al-TCA system. As for the photophysical properties, almost complete quenching of the fluorescence originating from TCA was observed in case of the Fe-TCA system, whereas for the Al-TCA system a significant retention of fluorescence with red-shifted emission was observed. Quantum mechanical calculations based on density functional theory (DFT) were performed to unravel the origin of such discriminative behaviour of these coordination polymer systems.

}, issn = {1477-9226}, doi = {10.1039/c6dt00009f}, author = {Dhara, Barun and Sappati, Subrahmanyam and Singh, Santosh K. and Kurungot, Sreekumar and Ghosh, Prasenjit and Ballav, Nirmalya} } @article { ISI:000373408600014, title = {Correlating the role of hydrophilic/hydrophobic nature of Rh(I) and Ru(II) supported organosilica/silica catalysts in organotransformation reactions}, journal = {Applied Catalysis A-General}, volume = {513}, year = {2016}, month = {MAR}, pages = {138-146}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Highly reactive and hydrophobic triphenyl phosphine based rhodium(I) and ruthenium(II) organometallic complexes over benzene containing periodic mesoporous organosilica (PMOB) have been synthesized. This has been achieved by the immobilization of neat metal complexes like RhCl(PPh3)(3) [Wilkinson catalyst], RuHCl(CO)(PPh3)(3) and RuCl2(PPh3)(3) over aminofunctionalized PMOB to get RhCl(PPh3)(2)-PrNH2PMOB, RuHCl(CO)(PPh3)(2)-PrNH2PMOB and RuCl2(PPh3)(3)-PrNH2PMOB, respectively. The physico-chemical properties of the functionalized catalysts were analyzed by elemental analysis, ICP-OES, XRD, N-2 sorption analyses, FT-IR, solid state C-13 and Si-29 NMR spectra, XPS, SEM, TEM and contact angle measurements. The XRD and N-2 sorption analyses showed excellent textural properties with ordered mesoporous channel structure of all synthesized catalysts. The organic moieties anchored in PMOB were confirmed by C-13 CPMAS NMR and Fr-IR spectroscopy with Si-29 CPMAS NMR spectroscopy providing the information about the degree of functionalization of surface silanol groups with organic moiety. The Rh(I) and Ru(II) complexes supported on MCM-41/SBA-15/PMOE (ethane-PMO) were synthesized, and their catalytic activities in hydrogenation and sulfoxidation reactions were compared with Rh(I) and Ru(II) complexes supported on PMOB. The results show that PMOB based catalysts exhibit higher activities and selectivities than MCM-41/SBA-15/PMOB supported catalysts, neat homogeneous complexes and without catalyst. The better catalytic performance of PMOB based catalyst is attributed to the hydrophobic nature and high surface area of the PMOB support. The recycling studies of anchored catalysts show no major deactivation of the catalyst. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Heterogeneous catalysts, Hydrogenation and sulfoxidation, Hydrophobic, Periodic mesoporous organosilica}, issn = {0926-860X}, doi = {10.1016/j.apcata.2015.12.026}, author = {Lazar, Anish and George, Shoy C. and Jithesh, P. R. and Vinod, C. P. and Singh, A. P.} } @article {45645, title = {Counteranion driven homochiral assembly of a cationic C-3-symmetric gelator through ion-pair assisted hydrogen bond}, journal = {Journal of the American Chemical Society}, volume = {138}, year = {2016}, month = {SEP }, pages = {11113-11116}, type = {Article}, abstract = {

The helical handedness in achiral self-assemblies is mostly complex due to spontaneous symmetry breaking or kinetically controlled random assembly formation. Here an attempt has been made to address this issue through chiral anion exchange. A new class of cationic achiral C-3-symmetric gelator devoid of any conventional gelation assisting functional units is found to form both right-and left-handed helical structures. A chiral counteranion exchange-assisted approach is successfully introduced to control the chirality sign and thereby to obtain preferred homochiral assemblies. Formation of anion-assisted chiral assembly was confirmed by circular dichroism (CD) spectroscopy, microscopic images, and crystal structure. The X-ray crystal structure reveals the construction of helical assemblies with opposite handedness for (+)- and (-)-chiral anion reformed gelators. The appropriate counteranion driven ion-pair-assisted hydrogen-bonding interactions are found responsible for the helical bias control in this C-3-symmetric gelator.

}, issn = {0002-7863}, doi = {10.1021/jacs.6b06312}, author = {Maity, Arunava and Gangopadhyay, Monalisa and Basu, Arghya and Aute, Sunil and Babu, Sukumaran Santhosh and Das, Amitava} } @article {42631, title = {Crystal engineering of a zwitterionic drug to neutral cocrystals: a general solution for floxacins}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {SEP}, pages = {12610-12613}, abstract = {

The transformation of zwitterionic Sparfloxacin (SPX) to the neutral form is achieved by cocrystallization. Neutral forms of drugs are important for higher membrane permeability, while zwitterions are more soluble in water. The twin advantages of higher solubility/dissolution rate and good stability of neutral SPX are achieved in a molecular cocrystal compared to its zwitterionic SPX hydrate. The amine-phenol supra-molecular synthon drives cocrystal formation, with the paraben ester acting as a "proton migrator{\textquoteright}{\textquoteright} for the ionic to neutral transformation.

}, doi = {10.1039/c6cc06627e}, author = {Gunnam, Anilkumar and Suresh, Kuthuru and Ganduri, Ramesh and Nangia, Ashwini} } @article {43014, title = {Culture conditions for the production of thermostable lipase by thermomyces lanuginosus}, journal = {Journal of Basic and Applied Sciences}, year = {2016}, month = {NOV}, abstract = {

In the present investigation lipase production by three strains of thermophilic Thermomyces lanuginosus (GSLMBKU-10, GSLMBKU-13 and GSLMBKU-14) was carried out in submerged fermentation process. Olive oil and triacetin (0.1\%) were added to the basal medium, which stimulated the lipase production. The maximum lipase was produced by GSLMBKU-10 and GSLMBKU-13 in yeast extract starch medium supplemented with triacetin (0.1\%). The optimum pH was recorded at 6.0, 6.5 and 7.0 by GSLMBKU-10, GSLMBKU-13 and GSLMBKU-14 respectively. T. lanuginosus GSLMBKU-10 strains failed to produce lipase at pH 8.0. The optimum temperature for lipase production was observed at 45 {\textdegree}C by GSLMBKU-14 and GSLMBKU-10, while that for GSLMBKU-13 was at 50 {\textdegree}C. The marginal temperature ranged from 45 {\textdegree}C to 50 {\textdegree}C for both lipase production and vegetative growth by the three strains of T. lanuginosus under study. In conclusion, the GSLMBKU-13 strain was comparatively superior in the production of lipase than the other two strains under investigation.

}, doi = {10.1016/j.bjbas.2016.11.010}, author = {Sreelatha, B. and Vankudoth, Koteswara Rao and Kumar, R. Ranjith and Girisham, Sivadevuni and Reddy, S. M.} } @article {43622, title = {Cutaneous exposure to clinically-relevant pigeon pea (Cajanus cajan) proteins promote T(H)2-dependent sensitization and IgE-mediated anaphylaxis in Balb/c mice}, journal = {Journal of Immunotoxicology}, volume = {13}, year = {2016}, month = {JAN}, pages = {827-841}, abstract = {Epicutaneous (EC) sensitization to food allergens may occur when the skin has been lightly damaged. The study here tested whether cutaneous exposure to pigeon pea protein(s) may cause allergic sensitization. BALB/c mice were either orally gavaged or epicutaneously sensitized by repeated application of pigeon pea crude protein extract (CPE) on undamaged areas of skin without any adjuvant; afterwards, both groups were orally challenged with the pigeon pea CPE. Anaphylactic symptoms along with measures of body temperature, MCPT-1, TSLP, pigeon pea-specific IgE and IgG(1), myeloperoxidase (MPO) activity, T(H)2 cytokines, T(H)2 transcription factors (TFs) and filaggrin expression were determined. Mast cell staining, eosinophil levels and histopathological analysis of the skin and intestines were also performed. In the epicutaneously-sensitized mice, elevated levels of specific IgE and IgG(1), as well as of MCPT-1, TSLP, T(H)2 cytokines and TFs, higher anaphylactic scores and histological changes in the skin and intestine were indicative of sensitization ability via both routes in the pigeon pea CPE-treated hosts. Elevated levels of mast cells were observed in both the skin and intestine; increased levels of eosinophils and MPO activity were noted only in the skin. Decreased levels of filaggrin in skin may have played a key role in the skin barrier dysfunction, increasing the chances of sensitization. Therefore, the experimental data support the hypothesis that in addition to oral exposure, skin exposure to food allergens can promote T(H)2-dependent sensitization, IgE-mediated anaphylaxis and intestinal changes after oral challenge. Based on this, an avoidance of cutaneous exposures to allergens might prevent development of food anaphylaxis.}, doi = {10.1080/1547691X.2016.1205159}, author = {Gupta, Rinkesh Kumar and Kumar, Sandeep and Gupta, Kriti and Sharma, Akanksha and Roy, Ruchi and Verma, Alok Kumar and Chaudhari, Bhushan P. and Das, Mukul and Ansari, Irfan Ahmad and Dwivedi, Premendra D.} } @article {45849, title = {Data of in vitro synthesized dsRNAs on growth and development of helicoverpa armigera}, journal = {Data in Brief}, volume = {7}, year = {2016}, month = {JUN}, pages = {1602-1605}, type = {Article}, abstract = {The data presented in this article is related to the research article "RNAi of selected candidate genes interrupts growth and development of Helicoverpa armigera" (Chikate et al., 2016) [1]. RNA interference (RNAi) is emerging as a potent insect pest control strategy over current methods and their resistance by pest. In this study we tested 15 different in vitro synthesized dsRNAs for gene silencing in Helicoverpa armigera. These dsRNAs were specific against H. armigera enzymes/proteins such as proteases like trypsins (HaTry2, 3, 4 and 6), chymotrypsin (HaChy4) and cysteine proteases such as cathepsin (HaCATHL); glutathione S-transferases (HaGST1a, 6 and 8); esterases (HaAce4, HaJHE); catalase (HaCAT); super-oxide-dismutase (HaCu/ZnSOD); fatty acid binding protein (HaFabp) and chitin deacetylase (HaCda5b). These dsRNAs were fed to second instar larvae at an optimized dose (60 μg/day) for 3 days separately. Effects of dsRNA feeding were observed in terms of larval mass gain, percentage mortality and phenotypic abnormalities in later developmental stages of H. armigera. These findings might provide potential new candidates for designing sequence-specific dsRNA as pesticide in crop protection. }, doi = {10.1016/j.dib.2016.04.026}, author = {Chikate, Y. R. and Dawkar, V. V. and Barbole, R. S. and Tilak, P. V. and Gupta, V. S. and Giri, A. P.} } @article {45850, title = {Data on changes in the fatty acid composition during fruit development and ripening of three mango cultivars (Alphonso, Pairi and Kent) varying in lactone content}, journal = {Data in Brief}, volume = {9}, year = {2016}, month = {DEC}, pages = {480-491}, type = {Article}, abstract = {Data in this article presents fatty acid composition of three mango cultivars; Alphonso, Pairi and Kent through fruit development and ripening. Change in the ω-6 and ω-3 fatty acids level during mango fruit development and ripening is depicted. Also, data on aroma volatile {\textquoteleft}lactones{\textquoteright} composition from pulp and skin tissues of these cultivars at their ripe stage, respectively is provided. Statistical data is also shown, which correlates modulation in lactone content with that of fatty acid composition and content during fruit development and ripening in all the three mango cultivars.}, doi = {10.1016/j.dib.2016.09.018}, author = {Deshpande, A. B. and Chidley, H. G. and Oak, P. S. and Pujari, K. H. and Giri, A. P. and Gupta, V. S.} } @article {43623, title = {Design and fabrication of mechanically strong nano-matrices of linseed oil based polyesteramide blends}, journal = {Medchemcomm}, volume = {7}, year = {2016}, month = {SEP}, pages = {2299-2308}, abstract = {New nanomaterials of bio-origin with improved mechanical properties are in demand for biomedical application. Therefore, we propose to design and fabricate bioactive nano-matrices with good mechanical strength using polyesteramides derived from linseed oil. Polyesteramide was synthesized from linseed oil and blended with poly(L-lactide) and human serum albumin to enhance the mechanical strength, biodegradation, biocompatibility and hydrophilicity. The various blend solutions with and without drugs (triclosan and metronidazole) were electrospun into non-woven nano-matrices. The morphology of the nano-matrices represented smooth and fine nanofibers with the diameter ranging from 300 to 400 nm. Drug binding efficiency, cytotoxicity, hydrophilicity, thermal and mechanical studies indicated their suitability as biomaterials. To demonstrate their utility, the drug release kinetics and antibacterial properties were evaluated. The metronidazole loaded nano-matrices showed drug release up to 8 h, beyond which no release was observed until 72 h. Antibacterial studies were done using the drugs triclosan and metronidazole. The antibacterial activity of the drug loaded nanofiber mats increased with the increase in drug concentration. The uniqueness of the developed nano-matrices of polyesteramide blends is that their mechanical strength is 3-fold higher than that of the nano-matrices of poly(L-lactide), which is one of the essential features of these nano-matrices to be used as a biomaterial for biomedical applications.}, doi = {10.1039/c6md00380j}, author = {Killi, Naresh and Dhakare, Runali Arjun and Singam, Amarnath and Lokanadham, Metta and Chitikeshi, Harshavardhan and Gundloori, Rathna Venkata Naga} } @article {42942, title = {Design, synthesis and biological evaluation of novel azaspiro analogs of linezolid as antibacterial and antitubercular agents}, journal = {European Journal of Medicinal Chemistry}, volume = {122}, year = {2016}, month = {OCT}, pages = {475-487}, abstract = {

The design, synthesis and antimicrobial evaluation of a novel series of azaspiro analogues of linezolid (1) have been described. Linezolid comprises of a morpholine ring which is known for its metabolism related liabilities. Therefore, the key modification made in the linezolid structure was the replacement of morpholine moiety with its bioisostere, 2-oxa-6-azaspiro[3.3]heptane. Furthermore, the replacement of N-acetyl terminal of 1 with various aromatic or aliphatic functionalities was carried out. The title compounds were evaluated against a panel of Gram-positive and Gram-negative bacteria and Mycobacterium tuberculosis. Subsequent structure-activity relationship (SAR) studies identified several compounds with mixed antibacterial and antitubercular profiles. Compound 22 (IC50 0.72, 0.51, 0.88, 0.49 mu g/mL for Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus subtilis, respectively) exhibited similar antibacterial profile as I. The N-acetyl derivative 18 was similar to 1 in antitubercular profile. Thus, the present study successfully demonstrated the use of azaspiro substructure in the medicinal chemistry of antibacterial and antitubercular agents. (C) 2016 Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.ejmech.2016.07.001}, author = {Gadekar, Pradip K. and Roychowdhury, Abhijit and Kharkar, Prashant S. and Khedkar, Vijay M. and Arkile, Manisha A. and Manek, Hardik and Sarkar, Dhiman and Sharma, Rajiv and Vijayakumar, V. and Sarveswari, S.} } @article { ISI:000368264800002, title = {Detection of clostridium tetani in human clinical samples using tetX specific primers targeting the neurotoxin}, journal = {Journal of Infection and Public Health}, volume = {9}, number = {1}, year = {2016}, month = {JUL}, pages = {105-109}, publisher = {ELSEVIER SCIENCE LONDON}, address = {84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND}, abstract = {

Tetanus resulting from ear injury remains an important health problem, particularly in the developing world. We report the successful detection of Clostridium tetani using tetX specific primers targeting the Cl. tetani neurotoxin. The sample was obtained from an ear discharge of a case of otogenic tetanus in a 2-year-old male child. Based on the culture results of the ear discharge, Gram staining and virulence testing by genotyping, a diagnosis of tetanus was confirmed. This is the first report from India on the successful detection of Cl. tetani in a human clinical sample using tetX specific primers targeting the Cl. tetani neurotoxin. (C) 2015 King Saud Bin Abdulaziz University for Health Sciences. Published by Elsevier Limited. All rights reserved.

}, keywords = {Cl. tetani, Neurotoxin, Otogenic tetanus, Trismus}, issn = {1876-0341}, doi = {10.1016/j.jiph.2015.06.014}, author = {Ganesh, Madhu and Sheikh, Nasira K. and Shah, Pooja and Mehetre, Gajanan T. and Dharne, Mahesh S. and Nagoba, Basavraj S.} } @conference { ISI:000382147300038, title = {Development of genetic programming based softsensor model for styrene polymerization process and its application in model based control}, booktitle = {2016 Indian Control Conference (ICC)}, year = {2016}, note = {2nd Indian Control Conference (ICC), Indian Inst Technol, Hyderabad, INDIA, JAN 04-06, 2016}, month = {JAN}, pages = {238-244}, publisher = {IEEE Control Syst Soc; Honeywell; Mathworks; ABB R \& D Div; GE; Mahindra Ecole Centrale}, organization = {IEEE Control Syst Soc; Honeywell; Mathworks; ABB R \& D Div; GE; Mahindra Ecole Centrale}, address = {345 E 47th ST, New York, NY 10017 USA}, abstract = {

In recent years, soft sensors have been established as a valuable alternative to the traditional hardware sensors for the acquisition of critical information regarding {\textquoteleft}{\textquoteleft}difficult-to-measure{\textquoteright}{\textquoteright} process variables and/or parameters in chemical process monitoring and control. Soft sensors can also be modified as a novel process identification tool for process monitoring and model based control. Often, in polymer industries the main polymerization reaction is highly nonlinear and complex to model accurately by the conventional {\textquoteleft}{\textquoteleft}first principles{\textquoteright}{\textquoteright} approach. In such cases, genetic programming (GP)-a novel artificial intelligence-based exclusively data driven modeling technique-can be employed for process identification. In this work GP-based soft sensors have been developed for a continuous styrene polymerization reactor. The resulting GP-based models (soft sensor) showed high prediction and generalization performances. The best performing model was successfully utilized in designing a model predictive control (MPC) scheme for the polymerization reactor.

}, keywords = {Artificial intelligence, genetic programming, Model Predictive Control, process identification, Styrene Polymerization}, isbn = {978-1-4673-7993-9}, author = {Ghugare, Suhas B. and Tambe, Sanjeev S.} } @article {45851, title = {Disinfection of water using vortex diode as hydrodynamic cavitation reactor}, journal = {Asian Journal of Chemistry}, volume = {28}, year = {2016}, month = {AUG}, pages = {1867-1870}, type = {Article}, abstract = {Hydrodynamic cavitation offers distinct advantages for water disinfection and wastewater treatment particularly at large scales of operations. Vortex Diode is a fluidic device, which is conventionally used as a leaky non-return valve in nuclear industry. Recently this device was shown to be effective hydrodynamic cavitation device. In the present study, we have investigated use of cavitation in vortex diode for water disinfection application. Escherichia coli contaminated water is treated successfully using vortex diode. The operating parameters desirable for the disinfection are investigated. The performance is evaluated based on the reduction in the colony forming unit (CFU/mL) of E. coli count estimated by standard spread plate method. The presented results will be useful for identifying appropriate operating conditions for using vortex diode to effectively reduce the bacterial load and disinfect water.}, doi = {10.14233/ajchem.2016.19991}, author = {Gaikwad, V. and Ranade, V.} } @article { ISI:000372848000021, title = {Disruption of native beta-turns: consequence of folding competition between native and orthanilic acid proline-based pseudo beta-turn}, journal = {European Journal of Organic Chemistry}, number = {7}, year = {2016}, month = {MAR}, pages = {1380-1388}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Five tetrapeptides comprising beta-turn-forming elements and a pseudo beta-turn (C9 H-bonding) based on an SAntPro (orthanilic acid - proline) motif were designed and synthesized. Their extensive conformational investigation by single-crystal X-ray crystallography, solution-state 2D NMR spectroscopic, and nOe-restrained MD simulation studies revealed the formation of C14 or C9 folding and disruption of the native beta-turn (C10 H-bonding) architecture. The striking difference between the psi(psi(2)) angle of {\textquoteleft}{\textquoteleft}i + 2{\textquoteright}{\textquoteright} residues of native beta-turn and designed peptides suggest that formation of the native beta-turn is not favored. The results suggest that other turn-forming motifs can dramatically modulate the stability of the native beta-turn structure.

}, keywords = {Conformation analysis, hydrogen bonds, Peptidomimetics, structure elucidation}, issn = {1434-193X}, doi = {10.1002/ejoc.201501558}, author = {Ingole, Tukaram S. and Vijayadas, Kuruppanthara N. and Chaitanya, K. N. and Kotmale, Amol S. and Gawade, Rupesh L. and Gonnade, Rajesh G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @conference {45852, title = {Diversity of arsenic resistant bacteria from Lonar lake: A meteorite impact alkaline crater lake in Indi}, booktitle = {Arsenic Research and Global Sustainability - Proceedings of the 6th International Congress on Arsenic in the Environment, AS 2016}, year = {2016}, month = {JUN}, publisher = {CRC Press/Balkema}, organization = {CRC Press/Balkema}, address = {Stockholm; Sweden}, abstract = {Lonar lake known for its meteorite impact origin and highly alkaline environment harbors a plethora of diverse organisms. Arsenic transforming microbe diversity from Lonar remains unexplored. We attempted to explore the microorganisms causing arsenic transformation using culture-dependent and independent approaches. Amongst the 67 microbes isolated, Bacillus infantis L4-18 and Bacillus solimangrovi L4-7b could oxidise 15 mM arsenite in 8 days. None of the cultures could reduce arsenate. All the other isolates resisted 2 mM arsenic. In the culture independent approach, microbial diversity revealed Bacteroides (41.9\%), followed by Proteobacteria (17.9\%), Firmicutes (14.2\%), Actinobacteria (13.9\%), occurring in the Lonar sediment sample. This study provides foundation to study microbial arsenic biogeochemical cycle along with other biochemical cycles and microbial function in Lonar lake eco system.}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85017026744\&origin=inward\&txGid=63266bcb17f730d2678898ea486dffa6}, author = {Bagade, A. V. and Paul, D. and Rikame, T. and Giri, A. P. and Dhotre, D. and Pawar, S. and Kodam, K.} } @article { ISI:000377374500003, title = {Does the position of the electron-donating nitrogen atom in the ring system influence the efficiency of a dye-sensitized solar cell? A computational study}, journal = {Journal of Molecular Modeling}, volume = {22}, number = {6}, year = {2016}, month = {JUN}, pages = {121}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

We have reported a number of new metal-free organic dyes (2-6) that have cyclic asymmetric benzotripyrrole derivatives as donor groups with peripheral nitrogen atoms in the ring, fluorine and thiophene groups as pi-spacers, and a cyanoacrylic acid acceptor group. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were employed to examine the influence of the position of the donor nitrogen atom and pi-conjugation on solar cell performance. The calculated electron-injection driving force (Delta G(inject)), electron-regeneration driving force (Delta G(regen)), light-harvesting efficiency (LHE), dipole moment (mu(normal)), and number of electrons transferred (Delta q) indicate that dyes 3, 4, and 6 have significantly higher efficiencies than reference dye 1, which exhibits high efficiency. We also extended our comparison to some other reported dyes, 7-9, which have a donor nitrogen atom in the middle of the ring system. The computed results suggest that dye 6 possesses a higher incident photon to current conversion efficiency (IPCE) than reported dyes 7-9. Thus, the use of donor groups with peripheral nitrogen atoms appears to lead to more efficient dyes than those in which the nitrogen atom is present in the middle of the donor ring system.

}, keywords = {DFT, Dye-sensitized solar cells, Organic dyes, Position effect, TD-DFT}, issn = {1610-2940}, doi = {10.1007/s00894-016-2976-2}, author = {Biswas, Abul Kalam and Barik, Sunirmal and Das, Amitava and Ganguly, Bishwajit} } @article { ISI:000376882500147, title = {Dynamics of colonization and expression of pathogenicity related genes in fusarium oxysporum f.sp ciceri during chickpea vascular wilt disease progression}, journal = {Plos One}, volume = {11}, number = {5}, year = {2016}, month = {MAY}, pages = {Article Number: e0156490}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Fusarium wilt caused by Fusarium oxysporum f.sp. ciceri (Foc) is a constant threat to chickpea productivity in several parts of the world. Understanding the molecular basis of chickpea-Foc interaction is necessary to improve chickpea resistance to Foc and thereby the productivity of chickpea. We transformed Foc race 2 using green fluorescent protein (GFP) gene and used it to characterize pathogen progression and colonization in wilt-susceptible (JG62) and wilt-resistant (Digvijay) chickpea cultivars using confocal microscopy. We also employed quantitative PCR (qPCR) to estimate the pathogen load and progression across various tissues of both the chickpea cultivars during the course of the disease. Additionally, the expression of several candidate pathogen virulence genes was analyzed using quantitative reverse transcriptase PCR (qRT-PCR), which showed their characteristic expression in wilt-susceptible and resistant chickpea cultivars. Our results suggest that the pathogen colonizes the susceptible cultivar defeating its defense; however, albeit its entry in the resistant plant, further proliferation is severely restricted providing an evidence of efficient defense mechanism in the resistant chickpea cultivar.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0156490}, author = {Upasani, Medha L. and Gurjar, Gayatri S. and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article { ISI:000379531300011, title = {Effect of donors on the activation mechanism in ziegler-natta catalysis: a computational study}, journal = {Chemcatchem}, volume = {8}, number = {10}, year = {2016}, month = {MAY}, pages = {1809-1818}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Full quantum chemical calculations, using density functional theory (DFT), have been conducted to explain the effect of donors on the {\textquoteleft}{\textquoteleft}activation mechanism{\textquoteright}{\textquoteright} in the Ziegler-Natta (Z-N) catalyst system. In the activation mechanism, the inactive (TiCl4)-Cl-IV catalyst converts into the active (TiCl2Et)-Cl-III catalyst with the help of the AlEt3 present in the system. The donors that have been considered in this study are: ethyl benzoate (eb), two representative diether cases, a phthalate donor, and a silyl ester donor. The results indicate that eb and the diether donor cases donor have a negative effect on the barriers for the activation mechanism. However, the eb donor can be displaced from the MgCl2 surface by AlEt3, which matches experimental observations. For the phthalate, silyl ester and TiCl3-OC4H8Cl cases, the results indicate that a significant induction period would be present in Z-N systems employing such donors or having such a catalytic center, before catalysis could commence.

}, keywords = {Alkylation, aluminum, Density functional calculations, surface chemistry, titanium}, issn = {1867-3880}, doi = {10.1002/cctc.201600281}, author = {Kumawat, Jugal and Gupta, Virendra Kumar and Vanka, Kumar} } @article {45855, title = {Effect of orifice shape on water disinfection efficacy}, journal = {Pollution Research}, volume = {35}, year = {2016}, month = {SEP}, pages = {765-771}, type = {Article}, abstract = {Hydrodynamic cavitation offers distinct advantages for water disinfection and waste watei treatment particularly at large scales of operations. For applying hydrodynamic cavitation foi water disinfection/treatment, water stream to be treated is passed through a fluidic device ir which there exists a low pressure region. Cavities are generated in this region when the pressurt falls below vapour pressure (in absence of any dissolved gases). These cavities are then collapsec when they travel to regions of higher pressure and lead to very high shear, temperatures anc pressures in localized regions. These high pressure/temperature as well as high shear facilitati disinfection as well as reduction in chemical oxygen demand, colour and amonical nitrogen in the water. In this work, we have investigated hydrodynamic cavitation generated by five difieren orifices have been studied which have different shapes with same fractional open area and have tested their effectiveness for water disinfection. The efficacy of generated cavitation on wate disinfection was quantified based on measurements of non-pathogenic E. coli colony forminj units (CFU/mL). The presented results and analysis will be useful for designing hydrodynamii cavitation based systems for water disinfection}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85019205889\&origin=inward\&txGid=ce34b9a17392bdd05364dde2f57a1e52}, author = {Gaikwad, V. and Gaikwad, S. and Ranade, V.} } @article { ISI:000377257000076, title = {Effect of plasma treatment on multilayer graphene: X-ray photoelectron spectroscopy, surface morphology investigations and work function measurements}, journal = {RSC Advances}, volume = {6}, number = {54}, year = {2016}, month = {MAY}, pages = {48843-48850}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report here the effect of plasma treatment on multilayer graphene samples as determined by X-ray photoelectron spectroscopy and surface morphology studies with atomic force microscopy, scanning electron microscopy and transmission electron microscopy. The plasma treatment was modified to introduce controlled levels of defects and functionalities to the graphene samples to give tunable properties. The elemental composition and structure were investigated by XPS and micro Raman spectroscopy. The XPS study showed that there was a slight variation in the sp(2)/sp(3) hybridization ratio between the plasma-treated samples and the pristine sample. Kelvin probe measurements were carried out on all the multilayer graphene samples and indicated a slight variation in the work function of the graphene samples after plasma treatment.

}, issn = {2046-2069}, doi = {10.1039/c6ra03046g}, author = {Patil, Urmila V. and Pawbake, Amit S. and Machuno, Luis G. B. and Gelamo, Rogerio V. and Jadkar, Sandesh R. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000376515100003, title = {Effect of plug temperature on the strain and thickness distribution ofcomponents made by plug assist thermoforming}, journal = {International Polymer Processing}, volume = {31}, number = {2}, year = {2016}, month = {MAY}, pages = {166-178}, publisher = {CARL HANSER VERLAG}, address = {KOLBERGERSTRASSE 22, POSTFACH 86 04 20, D-81679 MUNICH, GERMANY}, abstract = {

Plug temperature is a key parameter affecting the thickness distribution of thermoplastic components made by plug assist thermoforming. For a specified pair of plug and plastic sheet, the variation in plug temperature can alter the coefficient of friction (COF) between the pair. We show here how the temperature dependence of COF influences the nature and extent of biaxial stretching of the sheet and consequently the thickness distribution of the thermoformed component. In the present study, high impact polystyrene (HIPS) sheets were thermoformed into axisymmetric cups using a plug-assist process in which the aluminum plug temperature (T-plug) was varied from ambient to above the glass transition temperature of HIPS (similar to 100 degrees C). Biaxial strain maps on the surfaces of the formed cups were measured and quantified using Grid Strain Analysis (GSA). Thickness distributions of the cups were also measured. Temperature dependent COF between HIPS and aluminum was determined independently using a rotational rheometer. The measured COF was low for T \< 100 degrees C, whereas it increased appreciably at and above 100 degrees C. We conclude that when T-plug \< 100 degrees C the HIPS sheet slips on the plug during forming, and this results in biaxial stretching of the base and walls of the formed cup. In contrast for T-plug \> 100 degrees C, a significant reduction in the magnitude of slip is expected. Here the sheet is gripped at the clamp and by the plug during forming which causes reduced biaxial stretching of the base and increased uniaxial stretching of the walls of the cup. Simulations of plug-assist thermoforming using a temperature dependent COF showed qualitative agreement with the GSA data thereby supporting our inferences.

}, issn = {0930-777X}, doi = {10.3139/217.3060}, author = {Marathe, D. and Rokade, D. and Azad, Lal Busher and Jadhav, Kishor and Mahajan, Sunil and Ahmad, Zubair and Gupta, S. and Kulkarni, S. and Juvekar, Vinay A. and Lele, Ashish K.} } @article { ISI:000371139400018, title = {Effect of sequence on the ionization of guanine in DNA}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {9}, year = {2016}, month = {MAR}, pages = {6526-6533}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The accurate estimation of the ionization energies and understanding the nature of the ionized states of the nucleic acid bases (NABs) are crucial to the understanding of the DNA damage mechanism. The vertical ionization energy (VIE) of guanine is the lowest among the NABs and the ionization energies are strongly affected by the environment, such as solvation and characteristics of nearby NABs. Therefore, we investigate the sequence dependence of the VIEs of guanine in B-DNA. We use the equation of motion coupled cluster method for the estimation of ionization potential with single and double excitations (EOM-IP-CCSD) and density functional theory with dispersion corrected omega B97x-D for the estimation of VIEs. A significant amount of non-additivity or cooperativity, directly proportional to charge delocalization, is noticed in the change in VIE due to the interaction with the nearby NABs. While the change in VIE due to base pairing originates predominantly from charge-dipole interactions, stacking between base pairs is a more complicated balance of dispersion and charge-dipole interactions as well as stabilization due to the delocalization of the positive charge. The long range interactions are however dominated by 1/r(3) distance dependence which shows the major role played by charge-dipole interactions. The extent of localization of positive holes on guanine is also estimated for various sequences.

}, issn = {1463-9076}, doi = {10.1039/c5cp07804k}, author = {Chakraborty, Rahul and Ghosh, Debashree} } @article { ISI:000376417400010, title = {Effect of solvation on electron detachment and excitation energies of a green fluorescent protein chromophore variant}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {19}, year = {2016}, month = {MAY}, pages = {4410-4420}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Hybrid quantum mechanics/molecular mechanics (QM/MM) is applied to the fluorinated green fluorescent protein (GFP) chromophore (DFHBDI) in its deprotonated form to understand the solvatochromic shifts in its vertical detachment energy (VDE) and vertical excitation energy (VEE). This variant of the GFP chromophore becomes fluorescent in an RNA environment and has a wide range of applications in biomedical and biochemical fields. From microsolvation studies, we benchmark (with respect to full QM) the accuracy of our QM/MM calculations with effective fragment potential (EFP) as the MM method of choice. We show that while the solvatochromic shift in the VEE is minimal (0.1 eV blue shift) and its polarization component is only 0.03 eV, the effect of the solvent on the VDE is quite large (3.85 eV). We also show by accurate calculations on the solvatochromic shift of the VDE that polarization accounts for similar to 0.23 eV and therefore cannot be neglected. The effect of the counterions on the VDE of the deprotonated chromophore in solvation is studied in detail, and a charge-smearing scheme is suggested for charged chromophores.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.6b03723}, author = {Bose, Samik and Chakrabarty, Suman and Ghosh, Debashree} } @article {42853, title = {Effective and selective oxidation of 2-butanol over Mn supported catalyst systems}, journal = {Applied Catalysis A-General}, volume = {525}, year = {2016}, month = {SEP}, pages = {237-246}, abstract = {

Oxidation of alcohols to their corresponding aldehydes/ketones is an important reaction in industries as well as in academic perspective. Selective oxidation (Selox) of alcohols like methanol, ethanol and propanol are well studied in literature; however, alcohols like butanol, pentanol, octanol is a challenging task. Selective oxidation of 2-butanol to methyl ethyl ketone (MEK) is an important reaction due to its wide range of applications. Herein, we demonstrated the selective oxidation of 2-butanol to MEK over Mn supported on different oxide supports. A series of MnxOy-Al2O3 (MA), MnxOy-CeO2 (MC), MnxOy-ZrO2 (MZ) and MnxOy-SiO2 (MS) catalysts were prepared by co-precipitation followed by hydrothermal method. As synthesised catalysts were characterised by various physico-chemical characterisation techniques. It was found that the presence of Mn3O4 species in MA and MZ catalysts is responsible for maximum catalytic activity towards 2-butanol oxidation. MA catalyst conferred a maximum 2-butanol conversion of 51\% and 88\% selectivity towards MEK. XPS analysis revealed that Mn in MA catalyst exists in +2 and +3 oxidation states and responsible for 2-butanol oxidation. Moreover it was found that the acidity of the catalyst also plays an important role in catalytic activity. (C) 2016 Published by Elsevier B.V.

}, doi = {10.1016/j.apcata.2016.08.005}, author = {Prabu, Kandasamy and Prabu, Marimuthu and Venugopal, Ashok Kumar and Venugopalan, Aswathy Thareparambil and Sandilya, W. V. Y. Sai and Gopinath, Chinnakonda S. and Raja, Thirumalaiswamy} } @article {43620, title = {Effective noncovalent functionalization of poly(ethylene glycol) to reduced graphene oxidenanosheets through gamma-radiolysis for enhanced lubrication}, journal = {Journal of Physical Chemistry C}, volume = {120}, year = {2016}, month = {FEB}, pages = {2139-2148}, abstract = {High-quality reduced graphene oxide (rGO) nanosheets (NSs) were synthesized by the oxidation of graphite followed by hydrazine treatment for the reduction of the oxygen functionalities. gamma-Radiolysis was then used for the functionalization of the rGO-NSs with poly(ethylene glycol) 200 (PEG200). The functionalization resulted in the intercalation of PEG200 molecules in rGO through hydrogen bonding between the hydroxyl groups of rGO and the oxygen atoms of PEG200 molecules. This resulted in an increase in the d spacing of the graphene sheets and a decrease in the defect density of the carbon network in the rGO. The friction coefficient and wear of sliding steel surfaces were reduced by 38\% and 55\%, respectively, when 0.03 mg mL(-1) PEG200-functionalized rGO dispersed in PEG200 was used. The lubrication properties can be described by bipolar interactions between PEG200 and rGO, leading to effective dispersion. Chemical analysis of wear particles showed decomposition of rGO into nanosized graphite domains, as exhibited by mechanical energy produced in tribo-contact. Moreover, these domains formed effective and stable tribofilms on the steel wear tracks that easily sheared under the action of contact stress. This significantly enhanced the antifriction and antiwear properties, resulting in improved oxidation resistance of PEG200 under the tribo-contact. It was found that, at high rGO concentrations, the lubrication efficiency decreased as a result of graphene-graphene intersheet collisions, producing mechanical energy and chemical defects at contact interfaces.}, doi = {10.1021/acs.jpcc.5b08762}, author = {Gupta, Bhavana and Kumar, Niranjan and Panda, Kalpataru and Melvin, Ambrose A. and Joshi, Shailesh and Dash, Sitaram and Tyagi, Ashok Kumar} } @article { ISI:000373611700015, title = {Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics}, journal = {Journal of Materials Chemistry C}, volume = {4}, number = {14}, year = {2016}, month = {DEC}, pages = {2793-2801}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Four benzoxazole-substituted GFP chromophores that differ by the length of their alkyl chain (from C1 to C12) were synthesized. In solution, the four compounds showed identical spectroscopic behavior, emitting blue light with moderate quantum yield. In the solid state, the butyl, pentyl and dodecyl derivatives strongly emitted orange light, while the methyl derivative was only weakly emissive. Based on the X-ray data and DFT calculations, emission in the solid state was explained by the formation of excimers. A very unusual {\textquoteleft}{\textquoteleft}hot-dog{\textquoteright}{\textquoteright}-type excimer was found for the dodecyl derivative, in which two overlapping chromophores are separated by an alkyl chain.

}, issn = {2050-7526}, doi = {10.1039/c5tc03776j}, author = {Ghodbane, Abdelhamid and Fellows, W. Brett and Bright, John R. and Ghosh, Debashree and Saffon, Nathalie and Tolbert, Laren M. and Fery-Forgues, Suzanne and Solntsev, Kyril M.} } @article { ISI:000377424600004, title = {Efficient cellular entry of (r-x-r)-type carbamate-plasmid DNA complexes and its implication for noninvasive topical DNA delivery to skin}, journal = {Molecular Pharmaceutics}, volume = {13}, number = {6}, year = {2016}, month = {JUN}, pages = {1779-1790}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Arginine-rich cell penetrating peptides are powerful tools for in vitro as well as in vivo delivery of a wide plethora of biomolecules. However, presence of consecutive arginine residues leads to enhanced amenability for proteolytic degradation as well as steric hindrances for membrane interactions which compromise its bioavailability. In order to overcome these limitations we previously reported a safe and stable octaarginine based oligomer, i.e., (r-x-r)4-carbamate, where the backbone amide linkages were replaced by carbamate linkages and 6-aminohexanoic acid based spacer moieties were incorporated for better flexibility, hydrophobicity, optimal spacing of guanidinium groups, and protection against proteolytic cleavage; resulting in improved transfection efficiency over its amide counterpart. In the present work we have investigated the mechanism behind this enhanced transfection efficiency and, based on our observations, demonstrate how the synergistic effect of rationalized oligomer designing, complex characteristics, and cell type contributes to overall effective intracellular delivery. Our results indicate that the (r-x-r)4-carbamate plasmid DNA complexes primarily utilize lipid raft dependent pathway of cellular entry more than other pathways, and this possibly facilitates their increased entry in the lipid raft rich milieu of skin cells. We also emphasize the utility of oligomer (r-x-r)4-carbamate as an efficient carrier for topical delivery of nucleic acids in skin tissue. This carrier can be utilized for safe, efficient, and noninvasive delivery of therapeutically relevant macromolecular hydrophilic cargo like nucleic acids to skin.

}, keywords = {Cell penetrating peptides, endocytosis, nucleic acid delivery, skin penetration, transfection}, issn = {1543-8384}, doi = {10.1021/acs.molpharmaceut.5b00915}, author = {Vij, Manika and Natarajan, Poornemaa and Yadav, Amit K. and Patil, Kiran M. and Pandey, Tanuja and Gupta, Nidhi and Santhiya, Deenan and Kumar, Vaijayanti A. and Fernandes, Moneesha and Ganguli, Munia} } @article {45835, title = {Efficient synthesis of potent anti-tubercular drug candidate BM212}, journal = {Rasayan Journal of Chemistry}, volume = {9}, year = {2016}, month = {OCT}, pages = {806-811}, type = {Article}, abstract = {

A novel five step total synthesis route for an anti-tubercular drug BM212 starting from 4-chlorophenacyl bromide was developed with 48\% overall yield. The synthesis is amiable for the synthesis of biologically active derivatives of BM 212.

}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85006821396\&origin=inward\&txGid=dd9ebfd9dd46604a8f7c425b110c73d0}, author = {More, N. A. and Patil, M. D. and Garud, D. R. and Gajbhiye, J. M.} } @article {43638, title = {Electrocatalytic water oxidation by a molecular cobalt complex through a high valent cobalt oxo intermediate}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {AUG}, pages = {11787-11790}, abstract = {Biuret-modified tetraamidomacrocyclic cobalt complex [Co-III-bTAML]- is shown to catalyze electrochemical water oxidation at basic pH leading to the formation of O-2. Electrochemical and spectroscopic studies indicate a high valent cobalt oxo intermediate isoelectronic to Co-V(O) as the active oxidant. The kinetic isotope effect of 8.63 indicates an atom proton transfer mechanism.}, doi = {10.1039/c6cc05773j}, author = {Das, Debasree and Pattanayak, Santanu and Singh, Kundan K. and Garai, Bikash and Sen Gupta, Sayam} } @article { ISI:000377203300030, title = {Electronic structure and properties of layered gallium telluride}, journal = {Chemical Physics Letters}, volume = {651}, year = {2016}, month = {MAY}, pages = {148-154}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Layer-dependent electronic structure and properties of gallium monochalcogenides, GaX where X=S, Se, Te, have been investigated using first-principles calculations based on various functionals, with a motivation to assess their use in photocatalytic water splitting. Since hydrogen evolution by water splitting using visible light provides a promising way for solar energy conversion, both theoretical and experimental studies have been carried out on the photochemical hydrogen evolution by GaTe. We also present the Raman spectra of GaTe examined by both theory and experiment. (C) 2016 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2016.03.045}, author = {Shenoy, U. Sandhya and Gupta, Uttam and Narang, Deepa S. and Late, Dattatray J. and Waghmare, Umesh V. and Rao, C. N. R.} } @article { ISI:000366864700011, title = {Employing carboxylic acids in aryne multicomponent coupling triggered by aziridines/azetidines}, journal = {Organic Chemistry Frontiers}, volume = {3}, number = {1}, year = {2016}, month = {NOV}, pages = {71-76}, publisher = {CHINESE CHEMICAL SOC}, address = {PO BOX 1-18, NANKANG, TAIPEI 115, TAIWAN}, abstract = {

The transition-metal-free aryne multicomponent coupling (MCC) involving carboxylic acids initiated by aziridines/azetidines has been reported. The use of aziridines as nucleophiles afforded N-aryl beta-amino alcohol derivatives and the application of azetidines as nucleophilic triggers furnished N-aryl gamma-amino alcohol derivatives in moderate to good yields. These reactions proceed under mild conditions and result in the formation of a new carbon-nitrogen bond and a new carbon-oxygen bond. The utility of carboxylic acids in aryne MCCs has been demonstrated, and the synthetic potential of phenols as acid surrogates in the present aryne MCCs has been realized.

}, issn = {2052-4129}, doi = {10.1039/c5qo00328h}, author = {Roy, Tony and Bhojgude, Sachin Suresh and Kaicharla, Trinadh and Thangaraj, Manikandan and Garai, Bikash and Biju, Akkattu T.} } @article { ISI:000371239900016, title = {Enantioselective modular total synthesis of macrolides Sch725674 and C-4-epi-Sch725674}, journal = {European Journal of Organic Chemistry}, number = {6}, year = {2016}, month = {FEB}, pages = {1215-1226}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The convergent total synthesis of Sch725674 has been accomplished by starting from (R)-1,2-epoxyheptane and assembling five modules in a highly stereoselective manner to give the final product in 6.6\% overall yield. The same strategy was extended to the synthesis of its C-4 epimer. Key reactions of the synthetic pathway include a Jacobsen hydrolytic kinetic resolution of an epoxide followed by its regioselective opening through a Yamaguchi-Hirao alkynylation, and ring-closing metathesis reaction to furnish the unique 14-membered ring macrolactone. In addition, the influence of protecting groups on the efficiency of the ring-closing metathesis (RCM) macrocyclization has been studied to maximize its yields.

}, keywords = {Asymmetric synthesis, Hydrolytic kinetic resolution, Macrocycles, Metathesis, Natural products}, issn = {1434-193X}, doi = {10.1002/ejoc.201501531}, author = {Sharma, Brijesh M. and Gontala, Arjun and Kumar, Pradeep} } @article { ISI:000368065300033, title = {Enantioselective synthesis of spirocyclohexadienones by NHC-catalyzed formal [3+3] annulation reaction of enals}, journal = {Angewandte Chemie-International Edition}, volume = {55}, number = {1}, year = {2016}, month = {JAN}, pages = {268-272}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The enantioselective synthesis of pyrazolone-fused spirocyclohexadienones was demonstrated by the reaction of alpha,beta-unsaturated aldehydes with alpha-arylidene pyrazolinones under oxidative N-heterocyclic carbene (NHC) catalysis. This atom-economic and formal [3+3] annulation reaction proceeds through a vinylogous Michael addition/spiroannulation/dehydrogenation cascade to afford spirocyclic compounds with an all-carbon quaternary stereocenter in moderate to good yields and excellent ee values. Key to the success of the reaction is the cooperative NHC-catalyzed generation of chiral alpha,beta-unsaturated acyl azoliums from enals, and base-mediated tandem generation of dienolate/enolate intermediates from pyrazolinones.

}, keywords = {annulation reactions, asymmetric catalysis, N-heterocyclic carbenes, organocatalysis, spiro compounds}, issn = {1433-7851}, doi = {10.1002/anie.201507802}, author = {Yetra, Santhivardhana Reddy and Mondal, Santigopal and Mukherjee, Subrata and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000382587400004, title = {Encapsulation of yeast (Saccharomyces cereviciae) by spray drying for extension of shelf life}, journal = {Drying Technology}, volume = {34}, number = {11}, year = {2016}, month = {JAN}, pages = {1307-1318}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

The objective of the present work was to encapsulate yeast using different carrier materials and examine their efficacy in retaining viability of cells after spray drying. Slurry containing yeast cells along with known amount of carrier material (maltodextrin, corn starch, gum arabic, acacia gum, polyethylene glycol 8000, -cyclodextrin, and skimmed milk powder, one at a time) was added and served as feed. Among these carrier materials attempted, corn starch and maltodextrin showed the best results with respect to powder yield (59\%, w/w) and cell survival (80.5\%), respectively. However, considering both survival and powder yield (67 and 59\% w/w, respectively), corn starch was observed to be the most suitable carrier material.

}, keywords = {Cell viability, Encapsulation, freeze-drying, spray drying, Yeast}, issn = {0737-3937}, doi = {10.1080/07373937.2015.1112808}, author = {Chandralekha, A. and Tavanandi, A. Hrishikesh and Amrutha, N. and Hebbar, H. Umesh and Raghavarao, K. S. M. S. and Gadre, Ramchandra V.} } @article {43578, title = {Engineering and in vitro evaluation of acid labile cholesterol tethered MG132 nanoparticle fortargeting ubiquitin-proteasome system in cancer}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {OCT}, pages = {5099-5106}, abstract = {In recent years, proteasome has evolved as one of the important alternative targets in cancer chemotherapy. However, selective targeting of proteasome system in cancer cells still remains a major challenge. To address this, a potent peptide based proteasome inhibitor MG132 was chemically conjugated with biocompatible-biodegradable cholesterol by acid cleavable hydrazone linkage. Spherical nanoparticles (MG132-NPs) were engineered from cholesterol-MG132 conjugate. Increased amount of free MG132 was released from these nanoparticles in acidic environment compared to physiological milieu in a slow and controlled manner. These MG132-NPs were taken up by breast cancer MCF7 cells into lysosomes within 6 h. Proteasome system was inhibited by these MG132-NPs leading to stabilization of beta-catenin, cyclin A and cyclin B in HEK-293T cells. Interestingly, MG132-NPs induced much improved cell death in drug resistant MDA-MB-231 cells with insignificant toxicity in healthy cells (HEK293 and L929) even in higher concentration.}, doi = {10.1002/slct.201601117}, author = {Ghosh, Chandramouli and Gupta, Neha and More, Piyush and Sengupta, Poulomi and Mallick, Abhik and Santra, Manas Kumar and Basu, Sudipta} } @article {43441, title = {Engineering crystals that facilitate the acyl-transfer reaction: insight from a comparison of the crystal structures of myo-inositol-1,3,5-orthoformate-derived benzoates and carbonates}, journal = {ACTA Crystallographica Section C-Structural Chemistry}, volume = {72}, year = {2016}, month = {NOV}, pages = {875-+}, abstract = {Minor variations in the molecular structure of constituent molecules of reactive crystals often yield crystals with significantly different properties due to altered modes of molecular association in the solid state. Hence, these studies could provide a better understanding of the complex chemical processes occurring in the crystalline state. However, reactions that proceed efficiently in molecular crystals are only a small fraction of the reactions that are known to proceed (with comparable efficiency) in the solution state. Hence, for consistent progress in this area of research, investigation of newer reactive molecular crystals which support different kinds of reactions and their related systems is essential. The crystal structures and acyl-transfer reactivity of a myo-inositol-1,3,5-orthoformate-derived dibenzoate and its carbonate (4-O-benzoyl-2-O-phenoxycarbonyl-myo-inositol 1,3,5-orthoformate, C21H18O9) and thiocarbonate (4-O-benzoyl-2-O-phenoxythiocarbonyl-myo-inositol 1,3,5-orthoformate, C21H18O8S) analogs are compared with the aim of understanding the relationship between crystal structure and acyl-transfer reactivity. Insertion of an O atom in the acyl (or thioacyl) group of an ester gives the corresponding carbonate (or thiocarbonate). This seemingly minor change in molecular structure results in a considerable change in the packing of the molecules in the crystals of myoinositol-1,3,5-orthoformate-derived benzoates and the corresponding carbonates. These differences result in a lack of intermolecular acyl-transfer reactivity in crystals of myo-inositol-1,3,5-orthoformate-derived carbonates. Hence, this study illustrates the sensitivity of the relative orientation of molecules, their packing and ensuing changes in the reactivity of resulting crystals to minor changes in molecular structure.}, doi = {10.1107/S205322961601603X}, author = {Tamboli, Majid I. and Krishanaswamy, Shobhana and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article {43336, title = {Enhanced electrochemical performance of polypyrrole coated MoS2 nanocomposites as electrode material for supercapacitor application}, journal = {Journal of Electroanalytical Chemistry}, volume = {782}, year = {2016}, month = {DEC}, pages = {278-287}, abstract = {Binary nanocomposites of polypyrrole (PPY) and Molybdenum disulfide (MoS2), with varying weight\% of MoS2 viz. MP1, MP2, and MP3 corresponding to 12.5, 25, and 50\% of MoS2 respectively, were prepared via. in-situ polymerization method. X-ray diffraction (XRD), field emission scanning microscopy (FESEM), and transmission electron microscopy (TEM) were employed to study the structure and morphology of the prepared nanocomposites. The electrochemical properties were studied by cyclic voltammetry (CV), galvanostatic charge-discharge (GCD), and electrochemical impedance spectroscopy (EIS) techniques. The nanocomposite electrode material MP2 reached a specific capacitance of 400 F/g at the current density 1 A/g which was higher than that of pure PPY and the other two nanocomposites viz. MP1 and MP3 having different compositions of MoS2 and PPY than that of MP2. It was noteworthy that the maximum capacitance value was obtained only for an optimum dose of MoS2 (MP2 in this case with 25\% of MoS2) and any deviation from which ultimately degraded the capacitive performance of the nanocomposite electrode material. This could be attributed to the occurrence of maximum interaction between MoS2 and PPY in the nanocomposite only at a particular concentration of its host materials. The results showed that the specific capacitance of MP2 nanocomposite declined by 7.2\% after 5000 cycles. Further, MP2 nanocomposite electrode showed much higher energy density (8.88 Wh/kg) as well as power density (2286 W/kg) which were higher than that shown by PPY electrode. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jelechem.2016.10.050}, author = {Thakur, Anukul K. and Choudhary, Ram Bilash and Majumder, Mandira and Gupta, Govind and Shelke, Manjusha V.} } @article {42831, title = {Enhancement in rate of photocatalysis upon catalyst recycling}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {OCT}, pages = {Article Number: 35075}, abstract = {

Recyclability is an important aspect for heterogeneous photo-catalysts. Ease of recovery and stability of the photo-catalyst in terms of efficiency over the number of cycles are highly desired and in fact it is ideal if the efficiency is constant and it should not decrease marginally with each cycle. Presented here is a seminal observation in which the photocatalytic activity is shown to improve with increasing number of catalytic cycles (it is 1.7 times better after the 1st cycle and 3.1 times better after the 2nd cycle). Specifically, nanorods of pure TiO2 and TiO2 doped with controlled amount of tungsten have been used to degrade two model pollutants: Phenol and Rhodamine B under exclusive visible light illumination. It was found that, in case of 1 mol.\% W incorporation, rate of photocatalysis and also the range of visible light absorption of the photocatalyst increased after the photocatalysis as compared to before photocatalysis. This aspect is unique for doped TiO2 and hence provides an intriguing way to mitigate low photoactivity.

}, doi = {10.1038/srep35075}, author = {Sorathiya, Kalpesh and Mishra, Biswajit and Kalarikkal, Abhishek and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S. and Khushalani, Deepa} } @article {43434, title = {Evaluation of uttroside B, a saponin from Solanum nigrum Linn, as a promising chemotherapeutic agent against hepatocellular carcinoma}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {NOV}, pages = {Article Number: 36318}, abstract = {We report, for the first time, the remarkable efficacy of uttroside B, a potent saponin from Solanum nigrum Linn, against liver cancer. The compound has been isolated and characterized from the leaves of Solanum nigrum Linn, a plant widely used in traditional medicine and is a rich resource of several anticancer molecules. Uttroside B, that comprises of beta-D-glucopyranosyl unit at C-26 of the furostanol and beta-lycotetraosyl unit at C-3, is ten times more cytotoxic to the liver cancer cell line, HepG2 (IC50: 0.5 mu M) than sorafenib (IC50: 5.8 mu M), the only FDA-approved drug for liver cancer. Moreover, it induces cytotoxicity in all liver cancer cell lines, irrespective of their HBV status, while being non-toxic to normal immortalized hepatocytes. It induces apoptosis in HepG2 cells by down-regulating mainly the activation of MAPK and mTOR pathways. The drastic reduction in HepG2-xenograft tumor size achieved by uttroside B in NOD-SCID mice and substantiation of its biological safety through both acute and chronic toxicity studies in Swiss albino mice warrants clinical validation of the molecule against hepatic cancer, for which, the chemotherapeutic armamentarium currently has limited weapons.}, doi = {10.1038/srep36318}, author = {Nath, Lekshmi R. and Gorantla, Jaggaiah N. and Thulasidasan, Arun Kumar T. and Vijayakurup, Vinod and Shah, Shabna and Anwer, Shabna and Joseph, Sophia M. and Antony, Jayesh and Veena, Kollery Suresh and Sundaram, Sankar and Marelli, Udaya K. and Lankalapalli, Ravi S. and Anto, Ruby John} } @article { ISI:000378508900020, title = {Experimental and computational analysis of supramolecular motifs involving C-sp2(aromatic)-F and CF3 groups in organic solids}, journal = {New Journal of Chemistry}, volume = {40}, number = {6}, year = {2016}, month = {JUN}, pages = {4981-5001}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A detailed experimental (SCXRD) and theoretical (PIXEL and QTAIM) investigation of the evolution of different supramolecular motifs formed via the presence of both C(sp(2))/(sp(3))-F groups in the crystal packing has been performed in a series of newly synthesized substituted benzanilides (containing {\textquoteleft}{\textquoteleft}both{\textquoteright}{\textquoteright} the fluorine and the trifluoromethyl group in the same molecule) along with previously reported similarly related crystal structures [CrystEngComm, 2008, 10, 54-67; CrystEngComm, 2012, 14, 1972-1989, CrystEngComm, 2013, 15, 3711-3733]. It was observed that the highest stabilized molecular motifs primarily consist of C(sp(2))-H center dot center dot center dot F-C(sp(2)) H-bonds in preference to C(sp(2))-H center dot center dot center dot F-C(sp(3)) H-bonds in the crystal. The motifs involving C(sp(2))-H center dot center dot center dot F-C(sp(2))/(sp(3)) H bonds were observed to be present over the entire distance range between 2.2 and 2.7 angstrom, albeit the difference in energies of stabilization involving fluorine atoms attached to sp(2) and sp(3) carbon is not significant in molecular crystals. From QTAIM analysis, the C(sp(2))/(sp(3))-F center dot center dot center dot F-C(sp(2))/(sp(3)) interactions were observed to be a closed shell in nature and provide local stabilization, indicating the formation of bonds, similar to weak hydrogen bonds observed in crystals.

}, issn = {1144-0546}, doi = {10.1039/c5nj03211c}, author = {Panini, Piyush and Gonnade, Rajesh G. and Chopra, Deepak} } @article { ISI:000379484200023, title = {Exploration of magnetically separable Ag@AgxNiy core/graded-alloy-shell nanostructures}, journal = {Chemical Communications}, volume = {52}, number = {56}, year = {2016}, month = {JUN}, pages = {8737-8740}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report novel bimetallic Ag@AgxNiy core@graded-alloy-shell nanoparticles (CGAS NPs), i.e. single Ag core NPs shelled by an AgxNiy graded alloy and stabilized by the CTAB surfactant employing a novel synthesis method. These Ag@AgxNiy CGAS NPs demonstrated superior catalytic performance in the synthesis of biologically active 3-amino alkylated indoles under green conditions.

}, issn = {1359-7345}, doi = {10.1039/c6cc04087j}, author = {Kumar, Mukesh and Soni, Kiran and Satpati, Biswarup and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article { ISI:000368829000007, title = {Expression of proteins involved in digestion and detoxification are regulated in helicoverpa armigera to cope up with chlorpyrifos insecticide}, journal = {Insect Science}, volume = {23}, number = {1}, year = {2016}, month = {FEB}, pages = {68-77}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Helicoverpa armigera is a key pest in many vital crops, which is mainly controlled by chemical strategies. To manage this pest is becoming challenging due to its ability and evolution of resistance against insecticides. Further, its subsequent spread on nonhost plant is remarkable in recent times. Hence, decoding resistance mechanism against phytochemicals and synthetic insecticides is a major challenge. The present work describes that the digestion, defense and immunity related enzymes are associated with chlorpyrifos resistance in H. armigera. Proteomic analysis of H. armigera gut tissue upon feeding on chlorpyrifos containing diet (CH) and artificial diet (AD) using nano-liquid chromatography-mass spectrometry identified upregulated 23-proteins in CH fed larvae. Database searches combined with gene ontology analysis revealed that the identified gut proteins engrossed in digestion, proteins crucial for immunity, adaptive responses to stress, and detoxification. Biochemical and quantitative real-time polymerase chain reaction analysis of candidate proteins indicated that insects were struggling to get nutrients and energy in presence of CH, while at the same time endeavoring to metabolize chlorpyrifos. Moreover, we proposed a potential processing pathway of chlorpyrifos in H. armigera gut by examining the metabolites using gas chromatography-mass spectrometry. H. armigera exhibit a range of intriguing behavioral, morphological adaptations and resistance to insecticides by regulating expression of proteins involved in digestion and detoxification mechanisms to cope up with chlorpyrifos. In these contexts, as gut is a rich repository of biological information; profound analysis of gut tissues can give clues of detoxification and resistance mechanism in insects.

}, keywords = {chlorpyrifos, Helicoverpa armigera, insecticide resistance, proteomics, real-time PCR}, issn = {1672-9609}, doi = {10.1111/1744-7917.12177}, author = {Dawkar, Vishal V. and Chikate, Yojana R. and More, Tushar H. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000379991000011, title = {Extension of the effective fragment potential method to macromolecules}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {27}, year = {2016}, month = {JUL}, pages = {6562-6574}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The effective fragment potential (EFP) approach, which can be described as a nonempirical polarizable force field, affords an accurate first-principles treatment of noncovalent interactions in extended systems. EFP can also describe the effect of the environment on the electronic properties (e.g., electronic excitation energies and ionization and electron-attachment energies) of a subsystem via the QM/EFP (quantum mechanics/EFP) polarizable embedding scheme. The original formulation of the method assumes that the system can be separated, without breaking covalent bonds, into closed-shell fragments, such as solvent and solute molecules. Here, we present an extension of the EFP method to macromolecules (mEFP). Several schemes for breaking a large molecule into small fragments described by EFP are presented and benchmarked. We focus on the electronic properties of molecules embedded into a protein environment and consider ionization, electron-attachment, and excitation energies (single-point calculations only). The model systems include chromophores of green and red fluorescent proteins surrounded by several nearby amino acid residues and phenolate bound to the T4 lysozyme. All mEFP schemes show robust performance and accurately reproduce the reference full QM calculations. For further applications of mEFP, we recommend either the scheme in which the peptide is cut along the C-alpha-C bond, giving rise to one fragment per amino acid, or the scheme with two cuts per amino acid, along the C-alpha-C and C-alpha-N bonds. While using these fragmentation schemes, the errors in solvatochromic shifts in electronic energy differences (excitation, ionization, electron detachment, or electron-attachment) do not exceed 0.1 eV. The largest error of QM/mEFP against QM/EFP (no fragmentation of the EFP part) is 0.06 eV (in most cases, the errors are 0.01-0.02 eV). The errors in the QM/molecular mechanics calculations with standard point charges can be as large as 0.3 eV.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.6b04166}, author = {Gurunathan, Pradeep Kumar and Acharya, Atanu and Ghosh, Debashree and Kosenkov, Dmytro and Kaliman, Ilya and Shao, Yihan and Krylov, Anna I. and Slipchenko, Lyudmila V.} } @article { ISI:000369516100068, title = {Field emission properties of highly ordered low-aspect ratio carbon nanocup arrays}, journal = {RSC Advances}, volume = {6}, number = {12}, year = {2016}, month = {JAN}, pages = {9932-9939}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we design and develop a field emission device utilizing highly porous carbon nanocup (CNC) films. These three-dimensional (3D) low-aspect ratio CNC structures were fabricated by a combination of anodization and chemical vapor deposition techniques. The low turn-on fields of 2.30 V mu m(-1) were observed to draw an emission current density of 1 mu A cm(-2) and a maximum emission current density of similar to 1.802 mA cm(-2) drawn at an applied field of similar to 4.20 V mu m(-1). The enhanced field emission behavior observed from the CNC films is attributed to an excellent field enhancement factor of 1645. The observed field emission properties of CNC arrays are attributed to a synergistic combination of high aspect ratio, nano-sized radius of curvature, highly organized distribution of the emitters over the whole area of specimen and lower screening effect of the CNC arrays. These observations shed light on the effect of the stacking carbon layers of CNC on their electronic properties and open up possibilities to integrate new morphologies of graphitic carbon in nanotechnology applications. Thus, the low turn on field, high emission current density and better emission current stability enable CNC based future field emission applications.

}, issn = {2046-2069}, doi = {10.1039/c5ra25682h}, author = {Gupta, Bipin Kumar and Kedawat, Garima and Kumar, Pawan and Singh, Satbir and Suryawanshi, Sachin R. and Agrawal, Neetu and Gupta, Govind and Kim, Ah Ra and Gupta, R. K. and More, Mahendra A. and Late, Dattatray J. and Hahm, Myung Gwan} } @article {42990, title = {Fine tuning the composition and nanostructure of Fe-based core-shell nanocatalyst for efficient CO2 hydrogenation}, journal = {Chemnanomat}, volume = {2}, year = {2016}, month = {OCT}, pages = {989-996}, abstract = {

Hydrogenation of CO2 to hydrocarbons is one of the crucial technologies to address the energy deficit and increasing environmental pollution. In this work, we have synthesized and systematically studied the influence of composition and nanostructure of a Fe-based, carbon-coated core shell nanocatalyst. The synthesis method offered good control over the thickness of the carbon coating in the core shell catalyst, which in turn controlled the chemical composition of the core. The results emphasized an optimal amount of Fe3O4, Fe5C2 in the core and partially graphitized carbon in the shell for a high catalytic activity in the conversion of CO2 at atmospheric pressure with higher selectivity to C-2-C-4 olefins.

}, doi = {10.1002/cnma.201600234}, author = {Gupta, Sharad and Jain, Vivek K. and Jagadeesan, Dinesh} } @article { ISI:000368207600006, title = {Formal total synthesis of anti-helicobacter pylori agent (+)-spirolaxine methyl ether}, journal = {Tetrahedron Letters}, volume = {57}, number = {1}, year = {2016}, month = {JAN}, pages = {25-28}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A convergent, formal enantioselective synthesis of anti-Helicobacter pylori agent, (+)-spirolaxine methyl ether 2 has been achieved in high enantiomeric purity starting from commercially available 1,5-pentanediol. The strategy mainly comprises of the Noyori{\textquoteright}s asymmetric reduction and Brown allylation/Cu-catalyzed lactonization as the key step for the construction of key chiral intermediates, spiroketal 3 and phthalide fragment 4. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Brown allylation, Cu-catalyzed lactonization, Noyori{\textquoteright}s asymmetric reduction, Phthalide, Spiroketal}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.11.047}, author = {Gadakh, Sunita K. and Sudalai, Arumugam} } @article { ISI:000369200500019, title = {Functional and conformational transitions of mevalonate diphosphate decarboxylase from Bacopa monniera}, journal = {International Journal of Biological Macromolecules}, volume = {83}, year = {2016}, month = {FEB}, pages = {160-170}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Functional and conformational transitions of mevalonate diphosphate decarboxylase (MDD), a key enzyme of mevalonate pathway in isoprenoid biosynthesis, from Bacopa monniera (BmMDD), cloned and overexpressed in Escherichia coli were studied under thermal, chemical and pH-mediated denaturation conditions using fluorescence and Circular dichroism spectroscopy. Native BmMDD is a helix dominant structure with 45\% helix and 11\% sheets and possesses seven tryptophan residues with two residues exposed on surface, three residues partially exposed and two situated in the interior of the protein. Thermal denaturation of BmMDD causes rapid structural transitions at and above 40 degrees C and transient exposure of hydrophobic residues at 50 degrees C, leading to aggregation of the protein. An acid induced molten globule like structure was observed at pH 4, exhibiting altered but compact secondary structure, distorted tertiary structure and exposed hydrophobic residues. The molten globule displayed different response at higher temperature and similar response to chemical denaturation as compared to the native protein. The surface tryptophans have predominantly positively charged amino acids around them, as indicated by higher K-SV for IC as compared to that for CsCl. The native enzyme displayed two different lifetimes, vi (1.203 +/- 0.036 ns) and tau 2 (3.473 +/- 0.12 ns) indicating two populations of tryptophan. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Aggregation, CD spectroscopy, Fluorescence quenching, Mevalonate diphosphate decarboxylase, Unfolding}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2015.11.067}, author = {Shakeel, Abbassi and Patel, Krunal and Khan, Bashir Mohammad and Bhosale, Siddharth H. and Gaikwad, Sushama M.} } @article { ISI:000374800700041, title = {Functional characterization and transient expression manipulation of a new sesquiterpene synthase involved in beta-caryophyllene accumulation in Ocimum}, journal = {Biochemical And Biophysical Research Communications}, volume = {473}, number = {1}, year = {2016}, month = {APR}, pages = {265-271}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The genus Ocimum has a unique blend of diverse secondary metabolites, with major proportion of terpenoids including mono- and sesquiterpenes. Although, beta-Caryophyllene, bicyclic sesquiterpene, is one of the major terpene found in Ocimum species and known to possess several biological activities, not much is known about its biosynthesis in Ocimum. Here, we describe isolation and characterization of beta-caryophyllene synthase gene from Ocimum kilimandscharicum Gurke (OkBCS- GenBank accession no. KP226502). The open reading frame of 1629 bp encoded a protein of 542 amino acids with molecular mass of 63.6 kDa and pl value of 5.66. The deduced amino acid sequence revealed 50-70\% similarity with known sesquiterpene synthases from angiosperms. Recombinant OkBCS converted farnesyl diphosphate to beta-caryophyllene as a major product (94\%) and 6\% alpha-humulene. Expression variation of OkBCS well corroborated with beta-caryophyllene levels in different tissues from five Ocimum species. OkBCS transcript revealed higher expression in leaves and flowers. Further, agro-infiltration based transient expression manipulation with OkBCS over-expression and silencing confirmed its role in beta-caryophyllene biosynthesis. These findings may potentially be further utilized to improve plant defense against insect pests. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {beta-Caryophyllene, Natural product biosynthesis, Ocimum, Terpene synthase, Transient expression}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2016.03.090}, author = {Jayaramaiah, Ramesha H. and Anand, Atul and Beedkar, Supriya D. and Dholakia, Shushan B. and Punekar, Sachin A. and Kalunke, Raviraj M. and Gade, Wasudeo N. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article { ISI:000380864900003, title = {Functionalization and isoreticulation in a series of metal-organic frameworks derived from pyridinecarboxylates}, journal = {Inorganic Chemistry}, volume = {55}, number = {15}, year = {2016}, month = {AUG}, pages = {7200-7205}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The partially fluorinated metal-organic frameworks (F-MOFs) have been constructed from 3-fltoro-4-pyridinecarboxylic acid and trans-3-fluoro-4-pyridineacrylic acid linkers using Mn2+, Co2+, and, Cd2+ metals via the solvothetrnal method, which show isostructural isomerism with their nonfluorinated counterparts synthesized using 4-pyridinecarboxylic acid and trans-4-pyridineacrylic acid, respectively. The simultaneous effect of partial fluorination and isoreticulation on structure and H-2 adsorption has been studied systematically in isostructural nonfluorinated and partially fluorinated MOFs, which shows that the increment in the hydrogen uptake properties in F-MOFs is not a universal phenomenon but is rather system-specific and changes from one system to another.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.6b00758}, author = {Pachfule, Pradip and Garai, Bikash and Banerjee, Rahul} } @article { ISI:000378741200010, title = {Fusarium oxysporum mediates systems metabolic reprogramming of chickpea roots as revealed by a combination of proteomics and metabolomics}, journal = {Plant Biotechnology Journal}, volume = {14}, number = {7}, year = {2016}, month = {JUL}, pages = {1589-1603}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Molecular changes elicited by plants in response to fungal attack and how this affects plant-pathogen interaction, including susceptibility or resistance, remain elusive. We studied the dynamics in root metabolism during compatible and incompatible interactions between chickpea and Fusarium oxysporum f. sp. ciceri (Foc), using quantitative label-free proteomics and NMR-based metabolomics. Results demonstrated differential expression of proteins and metabolites upon Foc inoculations in the resistant plants compared with the susceptible ones. Additionally, expression analysis of candidate genes supported the proteomic and metabolic variations in the chickpea roots upon Foc inoculation. In particular, we found that the resistant plants revealed significant increase in the carbon and nitrogen metabolism; generation of reactive oxygen species (ROS), lignification and phytoalexins. The levels of some of the pathogenesis-related proteins were significantly higher upon Foc inoculation in the resistant plant. Interestingly, results also exhibited the crucial role of altered Yang cycle, which contributed in different methylation reactions and unfolded protein response in the chickpea roots against Foc. Overall, the observed modulations in the metabolic flux as outcome of several orchestrated molecular events are determinant of plant{\textquoteright}s role in chickpea-Foc interactions.

}, keywords = {Chickpea, fusarium oxysporum, Metabolomics, NMR, plant-pathogen interaction, proteomics}, issn = {1467-7644}, doi = {10.1111/pbi.12522}, author = {Kumar, Yashwant and Zhang, Limin and Panigrahi, Priyabrata and Dholakia, Bhushan B. and Dewangan, Veena and Chavan, Sachin G. and Kunjir, Shrikant M. and Wu, Xiangyu and Li, Ning and Rajmohanan, Pattuparambil R. and Kadoo, Narendra Y. and Giri, Ashok P. and Tang, Huiru and Gupta, Vidya S.} } @article { ISI:000371021000006, title = {GAME9 regulates the biosynthesis of steroidal alkaloids and upstream isoprenoids in the plant mevalonate pathway}, journal = {Nature Communications}, volume = {7}, year = {2016}, month = {FEB}, pages = {Article Number: 10654}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Steroidal glycoalkaloids (SGAs) are cholesterol-derived molecules produced by solanaceous species. They contribute to pathogen defence but are toxic to humans and considered as anti-nutritional compounds. Here we show that GLYCOALKALOID METABOLISM 9 (GAME9), an APETALA2/Ethylene Response Factor, related to regulators of alkaloid production in tobacco and Catharanthus roseus, controls SGA biosynthesis. GAME9 knockdown and overexpression in tomato and potato alters expression of SGAs and upstream mevalonate pathway genes including the cholesterol biosynthesis gene STEROL SIDE CHAIN REDUCTASE 2 (SSR2). Levels of SGAs, C24-alkylsterols and the upstream mevalonate and cholesterol pathways intermediates are modified in these plants. Delta(7)-STEROL-C5(6)-DESATURASE (C5-SD) in the hitherto unresolved cholesterol pathway is a direct target of GAME9. Transactivation and promoter-binding assays show that GAME9 exerts its activity either directly or cooperatively with the SlMYC2 transcription factor as in the case of the C5-SD gene promoter. Our findings provide insight into the regulation of SGA biosynthesis and means for manipulating these metabolites in crops.

}, issn = {2041-1723}, doi = {10.1038/ncomms10654}, author = {Cardenas, Pablo D. and Sonawane, Prashant D. and Pollier, Jacob and Vanden Bossche, Robin and Dewangan, Veena and Weithorn, Efrat and Tal, Lior and Meir, Sagit and Rogachev, Ilana and Malitsky, Sergey and Giri, Ashok P. and Goossens, Alain and Burdman, Saul and Aharoni, Asaph} } @article { ISI:000372172800019, title = {Gas-solid interaction of H-2-Ce0.95Zr0.05O2: new insights into surface participation in heterogeneous catalysis}, journal = {Catalysis Science \& Technology}, volume = {6}, number = {6}, year = {2016}, month = {OCT}, pages = {1746-1756}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A direct interaction between a reduction medium (H-2) and a Ce0.95Zr0.05O2 (CZ) solid surface was explored through ambient pressure photoelectron spectroscopy (APPES), with conventional X-ray and He-I photon sources, in H-2 atmosphere up to 0.1 mbar pressure and 773 K. A porous CZ thin film was prepared by a combination of sol-gel and spin-coating methods, and was employed to understand the redox nature of ceria under reduction conditions. The maximum of 45\% Ce3+ along with the corresponding oxygen vacancy was observed due to reduction. An unprecedented decrease in the valence band (VB) energy up to 1.4 eV was observed on reduction along with a narrowing of VB. The highest occupied energy band derived from Ce 4f also shifts closer to E-F. H-2 molecular vibration observed in VB-APPES was employed as a probe to explore the surface potential changes along with the dynamic change in the nature of the surface under reduction conditions. The surface potential decreases by 0.27 eV up to 673 K, and then it reverts by 0.24 eV on further reduction at 773 K for different reasons. Further, an enhancement in the Ce 5d-O 2p interaction occurs at the expense of the Ce 4f-O 2p interaction under the above reduction conditions. Vacuum annealing and H-2 reduction after that show significantly more VB shift and enhanced reduction than H-2 reduction alone. Although Ce reduction occurs on high temperature vacuum annealing of CZ, a significantly lower amount of oxygen vacancies appears. This study shows the dynamic changes in the nature of the surface due to a gas (H-2)-solid (CZ) interaction and ensuing electronic structure changes that influence heterogeneous catalysis. It also underscores the necessity to study the catalytic materials under in situ conditions or closer to that.

}, issn = {2044-4753}, doi = {10.1039/c5cy01428j}, author = {Jain, Ruchi and Dubey, Anjani and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S.} } @article {45639, title = {Glycopolypeptide-grafted bioactive polyionic complex vesicles (PICsomes) and their specific polyvalent interactions}, journal = {ACS Omega}, volume = {1}, year = {2016}, month = {OCT}, pages = {600-612}, type = {Article}, abstract = {

Glycopolypeptide-based self-assembled nano-/microstructures with surface-tethered carbohydrates are excellent mimics of glycoproteins on the cell surface. To expand the broad repertoire of glycopolypeptide-based supramolecular soft structures such as polymersomes formed via self-assembly of amphiphilic polymers, we have developed a new class of polyionic complex vesicles (PICsomes) with glycopolypeptides grafted on the external surface. Oppositely charged hydrophilic block copolymers of glycopolypeptide(20)-b-poly-L-lysine(100) and PEG(2k)-b-poly-L-glutamate(100) [PEG = poly(ethylene glycol)] were synthesized using a combination of ring-opening polymerization of N-carboxyanhydrides and {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry. Under physiological conditions, the catiomer and aniomer self-assemble to form glycopolypeptide-conjugated PICsomes (GP-PICsomes) of micrometer dimensions. Electron and atomic force microscopy suggests a hollow morphology of the PICsomes, with inner aqueous pool (core) and peripheral PIC (shell) regions. Owing to their relatively large (similar to micrometers) size, the hollowness of the supramolecular structure could be established via fluorescence microscopy of single GP-PICsomes, both in solution and under dry conditions, using spatially distributed fluorescent probes. Furthermore, the dynamics of single PICsomes in solution could be imaged in real time, which also allowed us to test for multivalent interactions between PICsomes mediated by a carbohydrate (mannose)-binding protein (lectin, Con-A). The immediate association of several GP-PICsomes in the presence of Con-A and their eventual aggregation to form large insoluble aggregate clusters reveal that upon self-assembly carbohydrate moieties protrude on the outer surface which retains their biochemical activity. Challenge experiments with excess mannose reveal fast deaggregation of GP-PICsomes as opposed to that in the presence of excess galactose, which further establishes the specificity of lectin-mediated polyvalent interactions of the GP-PICsomes.

}, issn = {2470-1343}, doi = {10.1021/acsomega.6b00142}, author = {Pandey, Bhawana and Mahato, Jaladhar and Cotta, Karishma Berta and Das, Soumen and Sharma, Dharmendar Kumar and Sen Gupta, Sayam and Chowdhury, Arindam} } @article { ISI:000374436800034, title = {Gold(I)-catalyzed hydroaminaloxylation and petasis-ferrier rearrangement cascade of aminaloalkynes}, journal = {Organic Letters}, volume = {18}, number = {8}, year = {2016}, month = {APR}, pages = {1844-1847}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient method has been developed to generate a diverse array of indolizidines and quinolizidines from readily available aminaloalkynes via a gold(I)-catalyzed hydroaminaloxylation and Petasis-Ferrier rearrangement cascade. The method enabled a formal synthesis of (+/-)-antofine.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b00585}, author = {Gade, Amol B. and Patil, Nitin T.} } @article {43615, title = {Graphene based nanocomposites for alloy (SnO2), and conversion (Fe3O4) type efficient anodes for Li-ion battery applications}, journal = {Composites Science and Technology}, volume = {130}, year = {2016}, month = {JUN}, pages = {88-95}, abstract = {Two types of trigol reduced one pot synthesized graphene (TRG) based nanocomposites (SnO2-TRG, and Fe3O4-TRG) are examined as potential anodes for Lithium ion battery (LIB) applications. The two specific systems represent different electrode reaction mechanisms, namely alloying, and conversion respectively. The high resolution transmission electron microscopy (HR-TEM) analysis confirms the uniform distribution of SnO2 (similar to 2 nm), and Fe3O4 (similar to 8 nm) particulates on ultrathin TRG nanosheets and highlights the importance of surfactant free synthesis. The SnO2-TRG, and Fe3O4-TRG exhibited the maximum reversible capacity of similar to 947, and similar to 1024 mA h g(-1), respectively. The results show that such graphene based composite materials can be effectively used as prospective anodes for LIB applications. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.compscitech.2016.05.008}, author = {Mhamane, Dattakumar and Aravindan, Vanchiappan and Taneja, Divya and Suryawanshi, Anil and Game, Onkar and Srinivasan, Madhavi and Ogale, Satishchandra B.} } @article {42855, title = {Green leaf to inorganic leaf: a case study of ZnO}, journal = {Journal of Nanoscienceand Nanotechnology}, volume = {16}, year = {2016}, month = {SEP}, pages = {9203-9208}, abstract = {

Can we use green leaves, available freely in our gardens, as a template for making inorganic leaf, while retaining the nanospace available within the leaf architecture. The answer is {\textquoteright}yes{\textquoteright}, and it is demonstrated with inorganic leaf made up of ZnO, by intercalating Zn2+ ions into the porous channels of the champa (Plumeria, Magnolia champaca) tree leaves. TEM studies reveal a variety of macro-micro-nanospace available in the inorganic leaf ZnO (IL-ZnO), and suggest the possibility of exploiting the same to produce natural nano-architecture for various applications. A speciality of the present work is the maximum suppression of defects in photoluminescence of IL-ZnO leaf, compared to the commercial ZnO, which is exploited for light harvesting through chemical conversion. Benzene to phenol conversion was studied in UV light and IL-ZnO show significant conversion and yield demonstrating C-H activation at ambient temperature.

}, doi = {10.1166/jnn.2016.12912}, author = {Sathu, Naveen K. and Devaraji, Perumal and Gopinath, Chinnakonda S.} } @article { ISI:000371177100032, title = {Green synthesis of stable Cu(0) nanoparticles onto reduced graphene oxide nanosheets: a reusable catalyst for the synthesis of symmetrical biaryls from arylboronic acids under base-free conditions (vol 5, pg 1251, 2015)}, journal = {Catalysis Science \& Technology}, volume = {6}, number = {4}, year = {2016}, month = {FEB}, pages = {1234-1234}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Correction for {\textquoteleft}Green synthesis of stable Cu(0) nanoparticles onto reduced graphene oxide nanosheets: a reusable catalyst for the synthesis of symmetrical biaryls from arylboronic acids under base-free conditions{\textquoteright} by Najrul Hussain et al., Catal. Sci. Technol., 2015, 5, 1251{\textendash}1260.

}, issn = {2044-4753}, doi = {10.1039/c6cy90017h}, author = {Hussain, Najrul and Gogoi, Pranjal and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V. and Das, Manash R.} } @article { ISI:000378715600028, title = {High hydroxide conductivity in a chemically stable crystalline metal-organic framework containing a water-hydroxide supramolecular chain}, journal = {Chemical Communications}, volume = {52}, number = {54}, year = {2016}, month = {JUN}, pages = {8459-8462}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A chemically stable cationic MOF encapsulating an in situ formed water-hydroxide supramolecular anionic chain is realized for high hydroxide (OH-) ion conductivity in the solid-state (Type A). High OH- ion conductivity and low activation energy of the MOF demonstrate the advantage of the in situ incorporation of OH- ions to achieve efficient OH- ion conduction in the solid-state.

}, issn = {1359-7345}, doi = {10.1039/c6cc04436k}, author = {Nagarkar, Sanjog S. and Anothumakkool, Bihag and Desai, Aamod V. and Shirolkar, Mandar M. and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article { ISI:000371753500044, title = {High loading of pd nanoparticles by interior functionalization of mofs for heterogeneous catalysis}, journal = {Inorganic Chemistry}, volume = {55}, number = {5}, year = {2016}, month = {MAR}, pages = {2345-2354}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this report, the issue related to nanoparticle (NP) agglomeration upon increasing their loading amount into metal-organic frameworks (MOFs) has been addressed by functionalization of MOFs with alkyne groups. The alkynophilicity of the Pd2+ (or other noble metals) ions has been utilized successfully for significant loading of Pd NPs into alkyne functionalized MOFs. It has been shown here that the size and loading amount of Pd NPs are highly dependent on the surface area and pore width of the MOFs. The loading amount of Pd NPs was increased monotonically without altering their size distribution on a particular MOF. Importantly, the distinct role of alkyne groups for Pe(2+) stabilization has also been demonstrated by performing a control experiment considering a MOF without an alkyne moiety. The preparation of NPs involved two distinct steps viz. adsorption of metal ions inside MOFs and reduction of metal ions. Both of these steps were monitored by microscopic techniques. This report also demonstrates the applicability of Pd@MOF NPs as extremely efficient heterogeneous catalysts for Heck-coupling and hydrogenation reactions of aryl bromides or iodides and alkenes, respectively.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b02739}, author = {Gole, Bappaditya and Sanyal, Udishnu and Banerjee, Rahul and Mukherjee, Partha Sarathi} } @article {45832, title = {High-index faceted Au nanocrystals with highly controllable optical properties and electro-catalytic activity}, journal = {Nanoscale}, volume = {8}, year = {2016}, month = {NOV}, pages = {19224-19228}, type = {Article}, abstract = {

We introduce a new and naturally abundant mild reducing agent, tannic acid, to improve the seed-mediated growth method for the synthesis of elongated tetrahexahedral Au nanocrystals enclosed with high-index (730) planes, at room-temperature. The control of the dimensions, plasmonics and electro-catalysis of such high-index faceted nanocrystals is remarkable.

}, issn = {2040-3364}, doi = {10.1039/c6nr06922c}, author = {Rajendra, Ranguwar and Gangadharan, Pranav K. and Tripathi, Shalini and Kurungot, Sreekumar and Ballav, Nirmalya} } @article { ISI:000380362700025, title = {Highly efficient nitrogen-doped hierarchically porous carbon supported Ni nanoparticles for the selective hydrogenation of furfural to furfuryl alcohol}, journal = {RSC Advances}, volume = {6}, number = {72}, year = {2016}, month = {JUL}, pages = {67662-67668}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Nickel nanoparticles supported on nitrogen doped hierarchically porous carbon (Ni/CN) are found to be highly efficient and reusable catalysts for the selective hydrogenation of biomass-derived furfural to furfuryl alcohol (FA). Various characterization methods were used to study the structural and morphological features of the catalysts. Furfural conversion of 96\% and 95\% FA selectivity was obtained using a 5 wt\% Ni/CN catalyst. This catalyst showed excellent recyclability without any loss in activity and FA selectivity when it was reused four times. The higher catalytic performance is attributed to the nitrogen incorporated hierarchical porous 3D carbon network.

}, issn = {2046-2069}, doi = {10.1039/c6ra14078e}, author = {Kotbagi, Trupti V. and Gurav, Hanmant R. and Nagpure, Atul S. and Chilukuri, Satyanarayana V. and Bakker, Martin G.} } @article { ISI:000380052000012, title = {Highly stable laser-scribed flexible planar microsupercapacitor using mushroom derived carbon electrodes}, journal = {Advanced Materials Interfaces}, volume = {3}, number = {11}, year = {2016}, month = {JUN}, pages = {1600057}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A report is presented on the fabrication of all solid-state interdigitated flexible microsupercapacitor using ultrafast and highly scalable laser scribing technique, using highly mesoporous carbon synthesized from biomass (mushroom) with hydrothermal preprocessing. The specific protocol used for carbon synthesis renders some unique property features to the material (surface area of 2604 m(2) g(-1) with hierarchical pore size distribution) in the context of supercapacitor electrode application. A polyvinyl alcohol (PVA)-H2SO4 gel electrolyte is used for electrochemical measurements. The microsupercapacitor shows high cyclic stability up to 15000 cycles. Moreover it shows nearly 90\% stability after 1000 bending cycles at 60 degrees angle. It also retains its performance even under 120 degrees bending condition. This work represents a facile and fast technique for microscaled device fabrication that can be easily commercialized. Moreover, the mushroom-derived carbon used to make the electrodes holds great promise in context of the stability and flexibility of flexible supercapacitors.

}, issn = {2196-7350}, doi = {10.1002/admi.201600057}, author = {Yadav, Poonam and Basu, Aniruddha and Suryawanshi, Anil and Game, Onkar S. and Ogale, Satishchandra} } @article {42689, title = {Hydralazine inhibits amyloid beta (Aβ) aggregation and glycation and ameliorates Aβ1{\textendash}42 induced neurotoxicity}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {NOV}, pages = {108768-108776}, doi = {10.1039/C6RA20225J}, author = {Batkulwar, Kedar B. and Jana, Asis K. and Godbole, Rashmi K. and Khandelwal, Puneet and Sengupta, Neelanjana and Kulkarni, Mahesh J.} } @article {45860, title = {Hydrogel-derived soft materials for biomimetic and energy-related functions}, journal = {Australian Journal of Chemistry}, volume = {69}, year = {2016}, month = {AUG}, pages = {2-7}, type = {Article}, abstract = {Supramolecular assembly of molecules leading to gelation of large amount of solvents is always a fascinating topic of research. In the very recent past, the exciting developments have marked hydrogels as intriguing materials with excellent features. Hydrogel scaffolds enable the accommodation of organic and/or inorganic guest materials to deliver diverse applications. Hydrogels have been exploited to generate soft materials with mechanical anisotropy, tunable rigidity, self-healing properties, as well as photocatalytic capabilities towards H2 production. Remarkably, the combination of a photocatalyst and a light-harvesting system in the gel matrix provides a unique means to photocatalytic H2 production. The biomimetic applications of hydrogels have also generated much attraction due to their potential demonstrations. The diverse applications underline the significance of such a soft gel medium to reach the final goal. Herein, important reports pertaining to the use of hydrogels as an effective way to generate advanced materials for biomimetic and energy-related issues are discussed. }, doi = {10.1071/CH15304}, author = {Goudappagouda, and Wakchaure, V. C. and Ranjeesh, K. C. and Babu, S. S.} } @article { ISI:000376119000058, title = {Hydrogenation of cinnamaldehyde to hydrocinnamaldehyde over Pd nanoparticles deposited on nitrogen-doped mesoporous carbon}, journal = {RSC Advances}, volume = {6}, number = {50}, year = {2016}, month = {APR}, pages = {44333-44340}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Palladium nanoparticles deposited on nitrogen-doped mesoporous carbon (NMC) were synthesized by simple ultrasonic-assisted method. This novel Pd-NMC catalyst was highly active and selective for the hydrogenation of cinnamaldehyde (CA) to hydrocinnamaldehyde (HCA) at room temperature (30 degrees C) under low H-2 pressure. The nitrogen-free mesoporous carbon (MC) and activated carbon (AC) were also employed as the support for Pd in the liquid-phase hydrogenation of CA. The incorporation of nitrogen into carbon matrix remarkably enhanced the catalytic activity and C=C bond hydrogenation selectivity (HCA selectivity of 93\% with 100\% CA conversion for Pd-NMC) in CA hydrogenation compared to the catalysts with no nitrogen (HCA selectivity of 66 and 47\% for Pd-MC and Pd-AC, respectively). Moreover, Pd-NMC catalyst demonstrated an excellent recyclability without any loss in activity and HCA selectivity when it was reused for six times. The superior catalytic performance of Pd-NMC catalyst in CA hydrogenation is attributed to the small size of Pd nanoparticles due to presence of high nitrogen content (11.6 wt\%) and mesoporous nature of NMC support.

}, issn = {2046-2069}, doi = {10.1039/c6ra04154j}, author = {Nagpure, Atul S. and Gurrala, Lakshmiprasad and Gogoi, Pranjal and Chilukuri, Satyanarayana V.} } @article {45652, title = {Hydrogen-bonded organic frameworks (HOFs): a new class of porous crystalline proton-conducting materials}, journal = {Angewandte Chemie-International Edition}, volume = {55}, year = {2016}, month = {AUG }, pages = {10667-10671}, type = {Article}, abstract = {

Two porous hydrogen-bonded organic frameworks (HOFs) based on arene sulfonates and guanidinium ions are reported. As a result of the presence of ionic backbones appended with protonic source, the compounds exhibit ultra-high proton conduction values (sigma) 0.75x 10(-2)Scm(-1) and 1.8x10(-2)Scm(-1) under humidified conditions. Also, they have very low activation energy values and the highest proton conductivity at ambient conditions (low humidity and at moderate temperature) among porous crystalline materials, such as metal-organic frameworks (MOFs) and covalent organic frameworks (COFs). These values are not only comparable to the conventionally used proton exchange membranes, such as Nafion used in fuel cell technologies, but is also the highest value reported in organic-based porous architectures. Notably, this report inaugurates the usage of crystalline hydrogen-bonded porous organic frameworks as solid-state proton conducting materials.

}, keywords = {guanidinium, hydrogen-bonded organic frameworks, porous crystalline frameworks, proton conduction, sulfonates}, issn = {1433-7851}, doi = {10.1002/anie.201604534}, author = {Karmakar, Avishek and Illathvalappil, Rajith and Anothumakkool, Bihag and Sen, Arunabha and Samanta, Partha and Desai, Aamod V. and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article { ISI:000375602300007, title = {Identification of unintuitive features of sumoylation through mathematical modeling}, journal = {Journal of Biological Chemistry}, volume = {291}, number = {18}, year = {2016}, month = {APR}, pages = {9458-+}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

Sumoylation is a multistep, multienzymatic post-translational modification in which a small ubiquitin-like modifier protein (SUMO) is attached to the target. We present the first mathematical model for sumoylation including enzyme mechanism details such as autosumoylation of E2 and multifunctional nature of SENP. Simulations and analysis reveal three nonobvious properties for the long term response, modeled as an open system: (i) the steady state sumoylation level is robust to variation in several enzyme properties; (ii) even when autosumoylation of E2 results in equal or higher activity, the target sumoylation levels are lower; and (iii) there is an optimal SENP concentration at which steady state target sumoylation level is maximum. These results are qualitatively different for a short term response modeled as a closed system, where e.g. sumoylation always decreases with increasing SENP levels. Simulations with multiple targets suggest that the available SUMO is limiting, indicating a possible explanation for the experimentally observed low fractional sumoylation. We predict qualitative differences in system responses at short post-translational and longer transcriptional time scales. We thus use this mechanism-based model to explain system properties and generate testable hypotheses for existence and mechanism of unexpected responses.

}, issn = {0021-9258}, doi = {10.1074/jbc.M115.676122}, author = {Puntambekar, Shraddha S. and Nyayanit, Dimpal and Saxena, Priyanka and Gadgil, Chetan J.} } @article { ISI:000372657900015, title = {Immobilization of multivalent glycoprobes on gold surfaces for sensing proteins and macrophages}, journal = {Analyst}, volume = {141}, number = {7}, year = {2016}, month = {FEB}, pages = {2250-2258}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The multivalent display of carbohydrates on the cell surface provides cooperative binding to improve the specific biological events. In addition to multivalency, the spatial arrangement and orientation of sugars with respect to external stimuli also trigger carbohydrate-protein interactions. Herein, we report a non-covalent host-guest strategy to immobilize heptavalent glyco-beta-cyclodextrin on gold-coated glass slides to study multivalent carbohydrate-protein interactions. We have found that the localization of sugar entities on surfaces using beta-cyclodextrin (beta-CD) chemistry increased the avidity of carbohydrate-protein and carbohydrate-macrophage interactions compared to monovalent-beta-CD sugar coated surfaces. This platform is expected to be a promising tool to amplify the avidity of sugar-mediated interactions on surfaces and contribute to the development of next generation bio-medical products.

}, issn = {0003-2654}, doi = {10.1039/c5an02336j}, author = {Gade, Madhuri and Khandelwal, Puneet and Sangabathuni, Sivakoti and Bavireddi, Harikrishna and Murthy, Raghavendra Vasudeva and Poddar, Pankaj and Kikkeri, Raghavendra} } @article {43052, title = {Impact of modular substitution on crystal packing: the tale of two ureas}, journal = {CrystEngComm}, volume = {18}, year = {2016}, month = {AUG}, pages = { 7078-7094}, doi = {10.1039/C6CE01324D}, author = {Koshti, Vijay S. and Thorat, Shridhar H. and Gote, Ravindra P. and Chikkali, Samir H. and Gonnade, Rajesh G.} } @article {43432, title = {Improved all-polymer solar cell performance of n-type naphthalene diimide-bithiophene P(NDI2OD-T2) copolymer by incorporation of perylene diimide as coacceptor}, journal = {Macromolecules}, volume = {49}, year = {2016}, month = {NOV}, pages = {8113-8125}, abstract = {

Naphthalene diimide-bithiophene P(NDI2OD-T2) is a well-known donor-acceptor polymer, previously explored as n-type material in all-polymer solar cells (all-PSCs) and organic field effect transistor (OFETs) applications. The optical, bulk, electrochemical, and semiconducting properties of P(NDI2OD-T2) polymer were tuned via random incorporation of perylene diimide (PDI) as coacceptor with naphthalene diimide (NDI). Three random copolymers containing 2,2{\textquoteright}-bithiophene as donor unit and varying compositions of naphthalene diimide (NDI) and perylene diimide (xPDI, x = 15, 30, and 50 mol \% of PDI) as two mixed acceptors were synthesized by Stille coupling copolymerization. Proton NMR spectra recorded in CD Cl-3 showed that the pi-pi stacking induced aggregation among the naphthalene units could be successfully disrupted by the random incorporation of bulky PDI units. The newly synthesized random copolymers were investigated as electron acceptors in BHJ all-PSCs, and their performance was compared with P(NDI2OD-T2) as reference polymer. An enhanced PCE of 5.03\% was observed for BHJ all-PSCs (all-polymer solar cells) fabricated using NDI-Th-PDI30 as acceptor and PTB7-Th as donor, while the reference polymer blend with the same donor polymer exhibited PCE of 2.97\% efficiency under similar conditions. SCLC bulk carrier mobility measured for blend devices showed improved charge mobility compared to reference polymer, with PTB7-Th:NDI-Th-PDI30 blend device exhibiting the high hole and electron mobility of 4.2 x 10(-4) and 1.5 x 10(-4) cm(2)/(V s), respectively. This work demonstrates the importance of molecular design via random copolymer strategy to control the bulk crystallinity, compatibility, blend morphology, and solar cell performance of n-type copolymers.

}, doi = {10.1021/acs.macromol.6b01566}, author = {Sharma, Sandeep and Kolhe, Nagesh B. and Gupta, Vinay and Bharti, Vishal and Sharma, Abhishek and Datt, Ram and Chand, Suresh and Asha, S. K.} } @article {42908, title = {In situ fabrication of highly crystalline CdS decorated Bi2S3 nanowires (nano-heterostructure) for visible light photocatalyst application}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {FEB}, pages = {23508-23517}, abstract = {

In situ synthesis of the orthorhombic Bi2S3 nanowires decorated with hexagonal CdS nanoparticles (nano-heterostructure) has been demonstrated by a facile solvothermal method. The tiny 5-7 nm CdS spherical nanoparticles are decorated on the surfaces of 30-40 nm Bi2S3 nanowires, successfully. Structural, morphological and optical studies clearly show the existence of CdS on the nanowires. A possible sequential deposition growth mechanism is proposed on the basis of experimental results to reveal the formation of the nano heterostructure. The heterostructures have been used as a photocatalyst for hydrogen production as well as degradation of methylene blue under solar light. The maximum hydrogen evolution i.e. 4560 and 2340 mu mol h(-1) 0.5 g was obtained from H2S splitting and glycerol degradation for Bi2S3 NWs decorated with CdS nanoparticles (nano-heterostructure) which is higher than that of the Bi2S3 NWs (3000 and 1170 mu mol h(-1) 0.5 g, respectively). The enhanced photocatalytical hydrogen evolution efficiency of the heterostructures is mainly attributed to its nanostructure. In the nano heterostructure, the CdS nanoparticles control the charge carrier transition, recombination, and separation, while the Bi2S3 nanowire serves as a support for the CdS nanoparticles. The photogenerated electron{\textquoteright}s migration is faster than the holes from the inside of a CdS nanoparticle to its surface or to the phase interface, resulting in a relatively higher hole density inside the CdS nanoparticle leaving electron density at surface of the Bi2S3 NWs. This influences the photocatalytic activity under solar light. Such nano-heterostructures may have potential in other photocatalytic reactions.

}, author = {Panmand, Rajendra P. and Sethi, Yogesh A. and Deokar, Rajashree S. and Late, Dattatray J. and Gholap, Haribhau M. and Baeg, Jin-Ook and Kale, Bharat B.} } @article {43599, title = {Inhibition of quorum-sensing-mediated biofilm formation in Cronobacter sakazakii strains}, journal = {Microbiology-SGM}, volume = {162}, year = {2016}, month = {SEP}, pages = {1708-1714}, abstract = {The present study investigated plant extracts for their anti-quorum-sensing (QS) potential to inhibit the biofilm formation in Cronobacter sakazakii strains. The bioassay based on loss of pigment production by Chromobacterium violaceum 026 and Agrobacterium tumefaciens NTL4 (pZLR4) was used for initial screening of the extracts. Further, the effect of extracts on the inhibition of QS-mediated biofilm in C. sakazakii isolates was evaluated using standard crystal violet assay. The effect on biofilm texture was studied using SYTO9 staining and light and scanning electron microscopy. Among the tested extracts, Piper nigrum and Cinnamomum verum at 100 ppm resulted in 78 and 68\% reduction in the production of violacein as well as blue-green colour in both biosensor strains. A higher inhibitory activity (>50 \%) on biofilm formation in C. sakazakii was observed for Pip. nigrum and Cin. verum, whereas the other extracts possessed moderate (25-50 \%) and minimal (<25 \%) inhibitory activities. Further, the fluorescent and scanning electron microscopic images indicated a major disruption in the architecture of biofilms of tested strains by Pip. nigrum. This study points to the possibility of using Pip. nigrum and Cin. verum as inhibitor of QS-mediated biofilm formation by C. sakazakii that could be further explored for novel bioactive molecules to limit the emerging infections of C. sakazakii}, doi = {10.1099/mic.0.000342}, author = {Singh, Niharika and Patil, Amrita and Prabhune, Asmita and Goel, Gunjan} } @article { ISI:000379456500042, title = {Intramolecular dehydrogenative coupling of 2,3-diaryl acrylic compounds: access to substituted phenanthrenes}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {13}, year = {2016}, month = {JUL}, pages = {5663-5669}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A simple, facile, and environmentally benign intramolecular dehydrogenative coupling of various 1,2-diarylethylenes for the synthesis of phenanthrenes in excellent yield has been described. This new methodology uses ceric ammonium nitrate (CAN) as a promoter at room temperature and has been extended to intermolecular synthesis of biaryl compounds. The electron transfer from methoxyarene to cerium leads to cationic radical formation, which further proceeds to intramolecular coupling. Preliminary mechanistic investigation by EPR spectroscopy and density functional theory calculation suggested a similar view.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.6b00507}, author = {Gupta, Vijay and Rao, V. U. Bhaskara and Das, Tamal and Vanka, Kumar and Singh, Ravi P.} } @article { ISI:000367940900010, title = {Inverse high internal phase emulsion polymerization (i-HIPE) of GMMA, HEMA and GDMA for the preparation of superporous hydrogels as a tissue engineering scaffold}, journal = {Journal of Materials Chemistry B}, volume = {4}, number = {3}, year = {2016}, month = {NOV}, pages = {450-460}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of novel superporous hydrogels for regenerative medicine were prepared by oil-in-water (o/w) or inverse high internal phase emulsion (i-HIPE) copolymerization of glycerol monomethacrylate (GMMA), 2-hydroxy ethyl methacrylate (HEMA) and glycerol dimethacrylate (GDMA) as a cross-linker using a non toxic solvent and a redox initiator system at the physiological temperature (37 degrees C). The monomer GMMA was synthesized from glycidyl methacrylate (GMA) by an alternative facile method using Amberlyst-15. The described i-HIPEs showed a significantly wider stability window. The polyHIPE hydrogels were characterized by FTIR, BET method for surface area, mercury porosimetry, SEM, DSC, TGA, XRD, compressive strain and strain recovery. The swelling ratio of the hydrogels and their degradation in 0.007 M NaOH and lipase B (Candida antarctica) solutions were determined gravimetrically and the rate of degradation was explained in terms of the molecular structure of the hydrogels. The morphological studies showed that the pore diameter varied between 20 and 30 mu m and the pore throats (interconnecting windows) diameter was in the range of 4-8 mu m. The described polyHIPE hydrogels were found to have an open cell morphology and interconnected pore architecture, which are important characteristics for scaffold applications. The initial cytotoxicity study performed according to ISO-10993-5 indicated cytocompatibility (97\% cell viability) and the subsequent cell seeding and proliferation study exhibited 55-88\% cell viability (increased monotonously from GHG-1 to GHG-5), which could be attributed to modulation of the physical and chemical properties of the hydrogels. The described super porous hydrogels are considered as potential candidates for scaffold materials in tissue engineering applications.

}, issn = {2050-750X}, doi = {10.1039/c5tb01873k}, author = {Nalawade, Archana C. and Ghorpade, Ravindra V. and Shadbar, Sadiqua and Qureshi, Mohammed Shadbar and Chavan, Nayaku and Khan, Ayesha A. and Ponrathnam, S.} } @article {43393, title = {Kinetic studies on an algal biofilm reactor for raw sewage water treatment}, journal = {Chemical Engineering \& Technology}, volume = {39}, year = {2016}, month = {SEP}, pages = {1629-1635}, abstract = {A packed-bed algae biofilm reactor was developed using porous and nonporous dual packings. The biofilm was cultivated on reticulated polyurethane foam cubes. The nonporous glass Raschig rings were taken as bed support that helps to remove generated gas from the system. The effect of variables such as column length-to-diameter ratio, catalyst cube dimension, and feed flow rate on the treatment of sewage water was studied. The reaction kinetics indicates that the nutrients uptake rate is dependent on both pore and film diffusion. The kinetics of uptake of nutrients follows a pseudo first-order reaction. From the pseudo reaction rate constant, Thiele modulus and effectiveness factor were calculated and a kinetic model equation for fractional nutrient uptake was developed in terms of operating variables. The model can predict the reaction rate with low deviation. The results obtained may be valuable for large-scale treatment of sewage water.}, doi = {10.1002/ceat.201500447}, author = {Gera, Gayatri S. and Yewalkar, Swati N. and Nene, Sanjay and Kulkarni, Bhaskar D. and Kamble, Sanjay P.} } @article {43575, title = {Laser shielding and thermal ablation characteristics of resorcinol formaldehyde/boronnitride composites for thermal protection systems}, journal = {Industrial \& Engineering Chemistry Research}, volume = {55}, year = {2016}, month = {OCT}, pages = {10645-10655}, abstract = {Resorcinol formaldehyde (RF) composites were modified by incorporating different weight ratios of hexagonal boron nitride (h-BN) through a novel in situ polymerization technique. Temperature modulated SAXS was used to understand the changes in polymer network due to h-BN addition. The ablation performance of RF BN composites was evaluated by pulsed laser and oxyacetylene torch tests. Linear ablation resistance under oxyacetylene conditions improved by 18\%. Laser ablation resistance increased by 44\%. The reasons for improved ablation resistance for RF BN composites were studied using XRD, FTIR, and XPS methods which indicated that h-BN undergoes phase transformation at higher temperatures and also displays typical floral assimilation leading to significant energy consumption. This results in improved ablation resistance. These findings could lead to fabrication of RF BN based thermal protection systems (TPS) having better protection capabilities.}, doi = {10.1021/acs.iecr.6b01443}, author = {Daniel, Alex and Badhe, Yutika and Srikanth, Ivaturi and Gokhale, Suresh and Balasubramanian, Kandasubramanian} } @article {42428, title = {Lewis acid catalyzed selective reactions of donor-acceptor cyclopropanes with 2-naphthols}, journal = {Angewandte Chemie-International Edition}, volume = {55}, year = {2016}, month = {AUG}, pages = {10061-10064}, abstract = {

Lewis acid-catalyzed reactions of 2-substituted cyclopropane 1,1-dicarboxylates with 2-naphthols is reported. The reaction exhibits tunable selectivity depending on the nature of Lewis acid employed and proceed as a dearomatization/rearomatization sequence. With Bi(OTf)(3) as the Lewis acid, a highly selective dehydrative [3+2] cyclopentannulation takes place leading to the formation of naphthalene-fused cyclopentanes. Interestingly, engaging Sc(OTf)(3) as the Lewis acid, a Friedel-Crafts-type addition of 2-naphthols to cyclo-propanes takes place, thus affording functionalized 2-naphthols. Both reactions furnished the target products in high regioselectivity and moderate to high yields.

}, keywords = {annulations; arenes; Lewis acids; reaction mechanisms; small ring systems}, doi = {10.1002/anie.201604373}, author = {Kaicharla, Trinadh and Roy, Tony and Thangaraj, Manikandan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {45630, title = {Low band gap benzimidazole COF supported Ni3N as highly active OER catalyst}, journal = {Advanced Energy Materials}, volume = {6}, year = {2016}, month = {DEC }, pages = {Article No:1601189}, abstract = {

Covalent organic frameworks (COFs) have structures and morphologies closely resembling graphenes, whose modular construction permits atomiclevel manipulations. This, combined with their porous structure, makes them excellent catalyst supports. Here, the high electrocatalytic activity of a composite, formed by supporting Ni3N nanoparticles on a benzimidazole COF, for oxygen evolution reaction is shown. The composite oxidizes alkaline water with a near-record low overpotential of 230 mV @ 10 mA cm(-2) (eta(10)). This high activity is attributed to the ability of the COF to confine the Ni3N nanoparticles to size regimes otherwise difficult to obtain and to its low band gap character (1.49 eV) arising from the synergy between the conducting Ni3N nanoparticles and the pi-conjugated COF. The COF itself, as a metalfree self-standing framework, has an oxygen evolution reaction activity with 10 of 400 mV. The periodic structure of the COF makes it serve as a matrix to disperse the catalytically active Ni3N nanoparticles favoring their high accessibility and thereby good charge-transport within the composite. This is evident from the amount of O-2 evolved (230 mmol h(-1) g(-1)), which, to the best of our knowledge, is the highest reported. The work reveals the emergence of COF as supports for electrocatalysts.

}, issn = {1614-6832}, doi = {10.1002/aenm.201601189}, author = {Nandi, Shyamapada and Singh, Santosh Kumar and Mullangi, Dinesh and Illathvalappil, Rajith and George, Leena and Vinod, Chathakudath P. and Kurungot, Sreekumar and Vaidhyanathan, Ramanathan} } @article { ISI:000369603400025, title = {Low frequency noise and photo-enhanced field emission from ultrathin PbBi2Se4 nanosheets}, journal = {Journal of Materials Chemistry C}, volume = {4}, number = {5}, year = {2016}, month = {DEC}, pages = {1096-1103}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Atomically thin two-dimensional layered materials have gained wide interest owing to their novel properties and potential for applications in nanoelectronic and optoelectronic devices. Here, we present the spectral analysis and photo-enhanced field emission studies of a layered intergrowth PbBi2Se4 nanosheet emitter, performed at the base pressure of similar to 1 x 10(-8) mbar. The emitter shows a turn-on field value of similar to 4.80 V mu m(-1), corresponding to an emission current density of similar to 1 mu A cm(-2). Interestingly, when the cathode was illuminated with visible light, it exhibited a lower turn-on field of B3.90 V mm(-1), and a maximum emission current density of similar to 893 mu A cm(-2) has been drawn at an applied electric field of similar to 8.40 V mu m(-1). Furthermore, the photo-enhanced emission current showed reproducible, step-like switching behavior in synchronous with ON-OFF switching of the illumination source. The emission current-time plots reveal excellent stability over a duration of similar to 6 h. Low-frequency noise is a significant limitation for the performance of nanoscale electronic devices. The spectral analysis performed on a Fast Fourier Transform (FFT) analyzer revealed that the observed noise is of 1/f(alpha) type, with the value of alpha similar to 0.99. The low frequency noise, photo-enhanced field emission, and reproducible switching behavior characterized with very fast rise and fall times propose the layered PbBi2Se4 nanosheet emitter as a new promising candidate for novel vacuum nano-optoelectronic devices.

}, issn = {2050-7526}, doi = {10.1039/c5tc02993g}, author = {Suryawanshi, Sachin R. and Guin, Satya N. and Chatterjee, Arindom and Kashid, Vikas and More, Mahendra A. and Late, Dattatray J. and Biswas, Kanishka} } @article {42739, title = {Mechanistic insights into pincer-ligated palladium-catalyzed arylation of azoles with aryl Iodides: evidence of a Pd-II-Pd-IV-Pd-II pathway}, journal = {Organometallics}, volume = {35}, year = {2016}, month = {MAR}, pages = {875{\textendash}886}, abstract = {

Pincer-based (R2POCNR'2)PdCl complexes along with CuI cocatalyst catalyze the arylation of azoles with aryl iodides to give the 2-arylated azole products. Herein, we report an extensive mechanistic investigation for the direct arylation of azoles involving a well-defined and highly efficient (iPr2POCNEt2)PdCl (2a) catalyst, which emphasizes a rare PdII{\textendash}PdIV{\textendash}PdII redox catalytic pathway. Kinetic studies and deuterium labeling experiments indicate that the C{\textendash}H bond cleavage on azoles occurs via two distinct routes in a reversible manner. Controlled reactivity of the catalyst 2a underlines the iodo derivative (iPr2POCNEt2)PdI (3a) to be the resting state of the catalyst. The intermediate species (iPr2POCNEt2)Pd-benzothiazolyl (4a) has been isolated and structurally characterized. A determination of reaction rates of compound 4a with electronically different aryl iodides has revealed the kinetic significance of the oxidative addition of the C(sp2){\textendash}X electrophile, aryl iodide, to complex 4a. Furthermore, the reactivity behavior of 4a suggests that the arylation of benzothiazole proceeds via an oxidative addition/reductive elimination pathway involving a (iPr2POCNEt2)PdIV(benzothiazolyl)(Ar)I species, which is strongly supported by DFT calculations.

}, doi = {10.1021/acs.organomet.6b00003}, author = {Khake, Shrikant M. and Jagtap, Rahul A. and Dangat, Yuvraj B. and Gonnade, Rajesh G. and Vanka, Kumar and Punji, Benudhar} } @article { ISI:000369665800035, title = {Mechanochemically synthesized covalent organic framework as a proton-conducting solid electrolyte}, journal = {Journal of Materials Chemistry A}, volume = {4}, number = {7}, year = {2016}, month = {JAN}, pages = {2682-2690}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Mechanochemistry has become an increasingly important synthetic tool for a waste-free environment. However, the poor quality of the so-derived materials in terms of their crystallinity and porosity has been their major drawback for any practical applications. In this report, we have for the first time successfully leveraged such characteristics to show that the mechanochemically synthesized bipyridine based covalent organic framework (COF) outperforms its conventional solvothermal counterpart as an efficient solid-state electrolyte in PEM fuel cells. Marking the first such attempt in COFs, a Membrane Electrode Assembly (MEA) fabricated using the mechanochemically synthesized COF was observed to inhibit the fuel crossover and build up a stable Open Circuit Voltage (OCV = 0.93 V at 50 degrees C), thereby establishing itself as an effective solid electrolyte material (with a proton conductivity of 1.4 x 10(-2) S cm(-1)), while the solvothermally synthesized COF proved ineffective under similar conditions.

}, issn = {2050-7488}, doi = {10.1039/c5ta10521h}, author = {Shinde, Digambar Balaji and Aiyappa, Harshitha Barike and Bhadra, Mohitosh and Biswal, Bishnu P. and Wadge, Pritish and Kandambeth, Sharath and Garai, Bikash and Kundu, Tanay and Kurungot, Sreekumar and Banerjee, Rahul} } @article {43416, title = {Metabolic syndrome - a truly psychosomatic disorder? a global hypothesis}, journal = {Medical Hypotheses}, volume = {97}, year = {2016}, month = {DEC}, pages = {46-53}, abstract = {Exact cause of the metabolic syndrome [MS], a global epidemic, is still unclear. Man has same fundamental needs to live as animals but modern man{\textquoteright}s life-style compels him to acquire certainty of resources for all his needs in a complex social network. Today money has become the sole life essential need. Contrarily none of the animals needs to earn money. Brain is also an organ of the human body with a unique thought process to define logical actions to achieve a person{\textquoteright}s goals. This way life is a flow of desires followed by logical actions. The person struggles to attain desired goals via the allostatic load but a perceived insurmountable threat can make his flow of life stalled to freeze him. Published data from varied branches of medical science indicates role of hormones in overall homeostasis. Particularly multifaceted role of serotonin is well documented. Adrenalin being the primary mediator of Cod cycle is also well known. From the integration of observations from published data with reference to common human{\textquoteright}s modern lifestyle, it is hypothesized that a perceived trapped situation in life creates acute chaos of thoughts in brain, which results in acute excess of stress hormones and concurrent depletion of resting hormones, which in turn triggers MS. In global terms, MS indicates an acute imbalance of a few hormones and implies psychosomatic roots of the disorder. This may pave a better way in deciding a personalized holistic protocol with combination of counter regulatory psychoactive medications. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.mehy.2016.10.015}, author = {Ghike, Shrikant Madhukar} } @article {43053, title = {Metal phosphine-sulfonate acetonitrile complex for insertion copolymerization of functional olefins}, number = {PCT/IN2015/050107}, year = {2016}, month = {MAR}, type = {Application}, edition = {C07F9/50, C07F15/00}, chapter = {WO2016038631 A1}, address = {India}, issn = {WO2016038631 A1}, author = {Chikkali, Samir H. and Gaikwad, Shahaji R.} } @article { ISI:000382079800019, title = {Modulation of charge carrier mobility by side-chain engineering of bi(thienylenevinylene)thiophene containing PPE-PPVs}, journal = {RSC Advances}, volume = {6}, number = {57}, year = {2016}, month = {MAY}, pages = {51642-51648}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Four 2-dimensional conjugated poly(p-phenylene-ethynylene)-alt-poly(p-phenylene-vinylene) polymers containing a lateral bi(thienylenevinylene)thiophene unit (BTE-PVs) were synthesised and characterised. The investigated polymers share the same conjugated structure, but differ in the anchoring positions of solubilising linear octyloxy/branched 2-ethylhexyloxy side-chains. UV-vis spectra of the polymers in dilute chloroform solutions and as thin films were studied. X-Ray diffraction patterns as well as the bulk charge transport of polymer films cast from chlorobenzene solutions were also investigated. A dramatic effect of the solubilising side-chains on the charge carrier mobility of BTE-PV films was observed, with bulk hole mobility values ranging between 1.3 x 10(-5) cm(2) V-1 s(-1) and 2.2 x 10(-2) cm(2) V-1 s(-1), which is not ascribable to evident structural variations of the polymer films. It is shown that the combination of linear octyloxy and branched 2-ethylhexyloxy side-chains is favorable for the charge transport properties of BTE-PVs, compared to the incorporation of only linear or only branched side-chains.

}, issn = {2046-2069}, doi = {10.1039/c6ra00858e}, author = {Jadhav, Rupali R. and Camaioni, Nadia and Oppelt, Kerstin and Tinti, Francesca and Gazzano, Massimo and Fattori, Valeria and Wadgaonkar, Prakash P. and Rathgeber, Silke and Hoppe, Harald and Egbe, Daniel A. M.} } @article { ISI:000374286500004, title = {Molecular cloning and characterization of O-methyltransferase from mango fruit (mangifera indica cv. alphonso)}, journal = {Molecular Biotechnology}, volume = {58}, number = {5}, year = {2016}, month = {MAY}, pages = {340-350}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

Flavour of ripe Alphonso mango is invariably dominated by the de novo appearance of lactones and furanones during ripening. Of these, furanones comprising furaneol (4-hydroxy-2,5-dimethyl-3(2H)-furanone) and mesifuran (2,5-dimethyl-4-methoxy-3(2H)-furanone) are of particular importance due to their sweet, fruity caramel-like flavour characters and low odour detection thresholds. We isolated a 1056 bp complete open reading frame of a cDNA encoding S-adenosyl-l-methionine-dependent O-methyltransferase from Alphonso mango. The recombinantly expressed enzyme, MiOMTS showed substrate specificity towards furaneol and protocatechuic aldehyde synthesizing mesifuran and vanillin, respectively, in an in vitro assay reaction. A semi-quantitative PCR analysis showed fruit-specific expression of MiOMTS transcripts. Quantitative real-time PCR displayed ripening-related expression pattern of MiOMTS in both pulp and skin of Alphonso mango. Also, early and significantly enhanced accumulation of its transcripts was detected in pulp and skin of ethylene-treated fruits. Ripening-related and fruit-specific expression profile of MiOMTS and substrate specificity towards furaneol is a suggestive of its involvement in the synthesis of mesifuran in Alphonso mango. Moreover, a significant trigger in the expression of MiOMTS transcripts in ethylene-treated fruits point towards the transcriptional regulation of mesifuran biosynthesis by ethylene.

}, keywords = {Ethylene, expression, Flavour, Mango, Mesifuran, Ripening}, issn = {1073-6085}, doi = {10.1007/s12033-016-9933-2}, author = {Chidley, Hemangi G. and Oak, Pranjali S. and Deshpande, Ashish B. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article {43444, title = {Molecular cloning and in silico studies of physiologically significant trehalase from drosophila melanogaster}, journal = {International Journal of Biological Macromolecules}, volume = {92}, year = {2016}, month = {NOV}, pages = {282-292}, abstract = {Trehalase, a physiologically important glycosidase is known for its crucial role in insect glycometabolism and stress recovery. The present study describes the molecular cloning of a gene fragment, encoding the catalytically active trehalase from Drosophila melanogaster (DmTre) and its heterologous expression in Escherichia coli. The 1275 bp gene was overexpressed in two different vectors viz., pET28a and pCOLD TF and investigated for variable soluble expression, purification and activity of the recombinant enzyme with optimum pH and temperature of enzyme as 6 and 55 degrees C, respectively. The sequence was characterized in silico by subjecting it to homology search, multiple sequence alignment and phylogenetic tree construction revealing its identity to other trehalases which belong to glycoside hydrolase family 37. The deduced amino acid sequence and modeled 3D structure of DmTre possessed all features of trehalase superfamily, including signature motifs and catalytic domain. The active site pocket of recombinant DmTre was compared with the crystal structure of E. coli trehalase identifying Glu424 and Asp226 as the putative catalytic residues. Additionally, enzyme-substrate docking suggests possible involvement of other residues in the catalysis along with Asp226. The present study holds significance in understanding the structural aspects of Drosophila trehalase in spite of unavailabilty of eukaryotic trehalase crystal structure. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.ijbiomac.2016.06.097}, author = {Shukla, Ekta and Thorat, Leena and Bhavnani, Varsha and Bendre, Ameya D. and Pal, J. K. and Nath, B. B. and Gaikwad, Sushama M.} } @article { ISI:000368702300006, title = {Molecular interaction of selected phytochemicals under the charged environment of Plasmodium falciparum chloroquine resistance transporter (PfCRT) model}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {34}, number = {2}, year = {2016}, month = {FEB}, pages = {290-303}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

Phytochemicals of Catharanthus roseus Linn. and Tylophora indica have been known for their inhibition of malarial parasite, Plasmodium falciparum in cell culture. Resistance to chloroquine (CQ), a widely used antimalarial drug, is due to the CQ resistance transporter (CRT) system. The present study deals with computational modeling of Plasmodium falciparum chloroquine resistance transporter (PfCRT) protein and development of charged environment to mimic a condition of resistance. The model of PfCRT was developed using Protein homology/analogy engine (PHYRE ver 0.2) and was validated based on the results obtained using PSI-PRED. Subsequently, molecular interactions of selected phytochemicals extracted from C. roseus Linn. and T. indica were studied using multiple-iterated genetic algorithm-based docking protocol in order to investigate the translocation of these legends across the PfCRT protein. Further, molecular dynamics studies exhibiting interaction energy estimates of these compounds within the active site of the protein showed that compounds are more selective toward PfCRT. Clusters of conformations with the free energy of binding were estimated which clearly demonstrated the potential channel and by this means the translocation across the PfCRT is anticipated.

}, keywords = {homology modeling, molecular dynamics, Plasmodium falciparum chloroquine, resistance transporter model}, issn = {0739-1102}, doi = {10.1080/07391102.2015.1028449}, author = {Patel, Saumya K. and Khedkar, Vijay M. and Jha, Prakash C. and Jasrai, Yogesh T. and Pandya, Himanshu A. and George, Linz-Buoy and Highland, Hyacinth N. and Skelton, Adam A.} } @article { ISI:000380054400005, title = {Molecular-Pillar-supported functionalized reduced graphene-oxide for energy efficient lubrication}, journal = {Advanced Materials Interfaces}, volume = {3}, number = {13}, year = {2016}, month = {JUL}, pages = {1600161}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Molecular-pillar-supported basal plane of reduced graphene oxide (rGO) is fabricated by polymerizing polyaniline (PANI). In the presence of poly(ethylene glycol) (PEG200), the gamma-radiolysis is used for modifying the functionalization and improving the structural symmetry of PANI and PEG grafted rGO (PANI-PEG-g-rGO). The PANI is covalently and noncovalently grafted onto the surface of the graphene sheets. Carboxyl groups of rGO are linked to the nitrogen atoms in the PANI backbone and an accompanying noncovalent interaction between alkyl chains of grafted PANI and hydrooxylated rGO is formed. Raman and Fourier transform infra-red results confirm existence of stretching vibrations of benzenoid and quinonoid rings in PANI-PEG-g-rGO-functionalized composite, indicating grafting between PANI and rGO through pi-pi interaction. Furthermore, PEG-functionalization through hydrogen bonding with rGO is confirmed when hydroxyl group from the rGO combines with oxygen of PEG. X-ray photoelectron spectroscopy reveals significant increase in carbon, while loading PANI network with rGO followed by gamma-irradiation. Antifriction and antiwear properties of graphene nanocomposite are considerably enhanced to 68.4\% and 48\%, respectively, as compared to pristine PEG. The unique lubrication properties are explained by PEG functionalized molecular PANI-pillar structure across basal plane of rGO.

}, issn = {2196-7350}, doi = {10.1002/admi.201600161}, author = {Gupta, Bhavana and Kumar, Niranjan and Panda, Kalpataru and Melvin, Ambrose A. and Joshi, Shailesh and Dash, Sitaram} } @article { ISI:000374073800014, title = {Naphthoquinone based chemosensor 2-(2 {\textquoteleft}-aminoethylpyridine)-3-chloro-1,4-naphthoquinone: detection of metal ions, X-ray -crystal structures and DFT studies}, journal = {Journal of Molecular Structure}, volume = {1114}, year = {2016}, month = {JUN}, pages = {132-143}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Naphthoquinone based Chemosensor 2; 2-(2{\textquoteright}-aminoethylpyridine)-3-chloro-1,4-napthoquinone have been synthesized and characterized. Chemosensor 2 crystallizes in the orthorhombic space group Pbcn and shows extensive intramolecular as well as intermolecular hydrogen bonding interactions. Each molecule of Chemosensor 2 showed interaction with five neighboring molecules via C-H center dot center dot center dot N, N-H center dot center dot center dot N, C-H center dot center dot center dot Cl and C-H center dot center dot center dot O interactions. Slipped pi-pi stacking interaction was observed in adjacent quinonoid and benzenoid rings. Chemosensor abilities of Chemosensor 2 ligand have been evaluated with metal ions viz. Cu2+, Ni2+, Zn2+, Co2+, Fe3+, Mn2+, Cr3+, Hg2+, La3+ and Cd2+ in methanol, methanol-water mixture and in presence of mild base triethylamine. Stoichiometry of Chemosensor 2 with metal ions such as Cu2+, Ni2+, Zn2+ and Co2+ ions was determined by Jobs method in methanol and were found as 1:1 for Cu2+ and 2:1 for Ni2+, Zn2+ Co2+. The variation in the metal ligand ratio is observed in aqueous media for Cu2+. Chemosensor 2 can be used selectively for naked eye detection of Cu2+ ions. The association constant obtained in methanol shows the trend Cu2+\>Ni2+\>Co2+. Cu2+ and two (Ni-1 and Ni-2) Ni2+ complexes were synthesized. Ni-2 complex showed coordination of Chemosensor 2 ligands was through pyridine nitrogen{\textquoteright}s only. The Chemosensor 2 and its deprotonated forms in methanol, water and triethylamine were also studied by TD-DFT studies. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Aminonaphthoquinone, Chemosensor, hydrogen bonding, Naphthoquinone, pi-pi stacking, TD-DFT}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2016.02.065}, author = {Patil, Amit and Ware, Anuja P. and Bhand, Sujit and Chakravarty, Debamitra K. and Gonnade, Rajesh G. and Pingale, Subhash S. and Salunke-Gawali, Sunita} } @article { ISI:000374351200005, title = {Next-generation ammonia pretreatment enhances cellulosic biofuel production}, journal = {Energy \& Environmental Science}, volume = {9}, number = {4}, year = {2016}, month = {FEB}, pages = {1215-1223}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new liquid ammonia pretreatment methodology called Extractive Ammonia (EA) was developed to simultaneously convert native crystalline cellulose I-beta (CI) to a highly digestible cellulose IIII (CIII) allomorph and selectively extract up to B45\% of the lignin from lignocellulosic biomass with near-quantitative retention of all polysaccharides. EA pretreated corn stover yielded a higher fermentable sugar yield compared to the older Ammonia Fiber Expansion (AFEX) process while using 60\% lower enzyme loading. The EA process preserves extracted lignin functionalities, offering the potential to co-produce lignin-derived fuels and chemicals in the biorefinery. The single-stage EA fractionation process achieves high biofuel yields (18.2 kg ethanol per 100 kg untreated corn stover, dry weight basis), comparable to those achieved using ionic liquid pretreatments. The EA process achieves these ethanol yields at industrially-relevant conditions using low enzyme loading (7.5 mg protein per g glucan) and high solids loading (8\% glucan, w/v).

}, issn = {1754-5692}, doi = {10.1039/c5ee03051j}, author = {Sousa, Leonardo da Costa and Jin, Mingjie and Chundawat, Shishir P. S. and Bokade, Vijay V. and Tang, Xiaoyu and Azarpira, Ali and Lu, Fachuang and Avci, Utku and Humpula, James and Uppugundla, Nirmal and Gunawan, Christa and Pattathil, Sivakumar and Cheh, Albert M. and Kothari, Ninad and Kumar, Rajeev and Ralph, John and Hahn, Michael G. and Wyman, Charles E. and Singh, Seema and Simmons, Blake A. and Dale, Bruce E. and Balan, Venkatesh} } @article { ISI:000369072900005, title = {N-heterocyclic-carbene-catalyzed regioselective oxidative ring-opening of epoxides with aromatic aldehydes: a facile entry to alpha-acyloxyketones}, journal = {Asian Journal of Organic Chemistry}, volume = {5}, number = {1}, year = {2016}, month = {JAN}, pages = {48-51}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

A high-yielding synthesis of -acyloxyketones using a N-heterocyclic-carbene (NHC)-catalyzed, oxidative ring-opening of epoxides with aromatic aldehydes is described. This regioselective, oxidative process utilizes a N-bromosuccinimide (NBS)/DMSO combination as the oxidant system and Et3N as the base under mild reaction conditions.

}, keywords = {aldehydes, epoxides, halogen oxidants, N-heterocyclic carbenes, oxygen}, issn = {2193-5807}, doi = {10.1002/ajoc.201500355}, author = {Reddi, Rambabu N. and Gontala, Arjun and Prasad, Pragati K. and Sudalai, Arumugam} } @article {43000, title = {Notch1-MAPK signaling axis regulates CD133+ cancer stem cell-mediated melanoma growth and angiogenesis}, journal = {Journal of Investigative Dermatology}, volume = {136}, year = {2016}, month = {DEC}, pages = {2462-2474}, abstract = {

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

}, doi = {10.1016/j.jid.2016.07.024}, author = {Kumar, Dhiraj and Kumar, Santosh and Gorain, Mahadeo and Tomar, Deepti and Patil, Harshal S. and Radharani, Nalukurthi N. V. and Kumar, Totakura V. S. and Patil, Tushar V. and Thulasiram, Hirekodathakallu V. and Kundu, Gopal C.} } @article { ISI:000372856600027, title = {Omniphilic polymeric sponges by ice templating}, journal = {Chemistry of Materials}, volume = {28}, number = {6}, year = {2016}, month = {MAR}, pages = {1823-1831}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Sponges that absorb a large quantity of solvent relative to their weight, independent of the solvent polarity, represent useful universal absorbents for laboratory and industrial spills. We report the preparation of macroporous polymer sponges by ice templating of polyethylenimine aqueous solutions and their cross-linking in the frozen state. The as-prepared monolith is hydrophilic and absorbs over 30 fold its weight in water. Modification of this sponge using valeroyl chloride renders it omniphilic; viz., a modified sponge absorbs over 10-fold its dry weight of either water or hexane. Modification using palmitoyl chloride that has a longer chain length results in the preparation of a hydrophobic sponge with a water contact angle around 130, which retains its oleophilicity underwater. The solvent absorbed in these sponges can be simply squeezed out, and the sponges are stable to several hundred cycles of compression. The large pore sizes of these sponges allow rapid absorption of even high viscosity solvents such as pump oil. Finally, we demonstrate that these sponges are also able to separate apolar oils that are emulsified in water using surfactants. These high porosity sponges with controllable solvophilicity represent inexpensive, high performance universal absorbents for general solvent spills.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.5b04988}, author = {Chatterjee, Soumyajyoti and Sen Gupta, Sayam and Kumaraswamy, Guruswamy} } @article {42854, title = {Palladium supported on fluorite structured redox CeZrO4-δ for heterogeneous suzuki coupling in water: a green protocol}, journal = {Chemistry Select}, volume = {1}, year = {2016}, month = {JUL}, pages = {2673{\textendash}2681}, abstract = {

Pd on redox CeZrO4-δ catalysts was prepared, characterized and their activity was evaluated for Suzuki coupling reaction in water under reflux condition. Fresh and reduced form of 5 \% Pd (R-Pd5) on CeZrO4-δ catalyst exhibited 100 \% conversion in 2.5 and 1 h, respectively. R-Pd5 shows significant activity for wide range of substrate compatibility and for less reactive aryl bromides too. The mechanistic investigations proved the important role of redox CeZrO4-δ support on the catalytic activity. It was observed that the presence of oxygen vacancy along with Ce3+ enhances the activity. 1 wt \% Pd photodeposited on pre-reduced CeZrO4-δ support requires a mere 20 min. for 100 \% conversion of Suzuki coupling. Effect of metal dispersion and particle size on catalytic activity is also discussed. High Pd dispersion with small particle size (4{\textpm}1 nm), particle size preservation after reaction, strong metal-support interaction and no leaching fully suggest the heterogeneous mechanism is operative for Suzuki coupling on 1 wt \% Pd photodeposited on reduced CeZrO4-δ support. Present work hints the possibility of achieving high conversion for Suzuki reaction with very small amount of Pd through better dispersion by taking advantage of redox support and in water.

}, doi = {10.1002/slct.201600655}, author = {Burange, Anand S. and Shukla, Rakesh and Tyagi, Avesh Kumar and Gopinath, Chinnakonda S.} } @article {43619, title = {Parasitism by Chelonus blackburni (Hymenoptera) affects food consumption and development of Helicoverpa armigera (Lepidoptera) and cellular architecture of the midgut}, journal = {Journal of Asia-Pacific Entomology}, volume = {19}, year = {2016}, month = {MAR}, pages = {65-70}, abstract = {Biological control agents are vital components of an integrated pest management strategy, and this is frequently referred to as natural control. Natural enemies of insect pests include predators, parasitoids, and pathogens. Among them, a parasitoid, Chelonus blackburni (Cameron), was found to be the best biological control agent for the polyphagous pest, Helicoverpa armigera (Hubner). C. blackburni alters the feeding performance of H. annigera larvae upon parasitism and as a result severely affects growth and development. Moreover, it shortens the feeding period of H. armigera and increases mortality. Furthermore, total hemocyte count (THC) was significantly decreased in parasitized larvae than control. Parasitized H. armigera had 26\% less number of blood cells compared to healthy larvae. Histological studies showed that the structure of midgut of H. annigera is drastically affected by C. blackburni leading to reduced food consumption, which ultimately led to larval death. The present study provides an insight to changes involved in H. annigera due to parasitism by C blackburni, a parasite that could be used as an effective biocontrol agent to manage H. armigera. (C) 2015 Korean Society of Applied Entomology, Taiwan Entomological Society and Malaysian Plant Protection Society. Published by Elsevier B.V. All rights reserved.}, doi = {10.1016/j.aspen.2015.11.005}, author = {Sanap, Yogita and Dawkar, Vishal V. and Giri, Ashok P. and Sen, Avalokiteswar and Pandit, Radhakrishna S.} } @article { ISI:000368754700011, title = {Pb2+-N bonding chemistry: recycling of polyaniline-pb nanocrystals waste for generating high-performance supercapacitor electrodes}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {2}, year = {2016}, month = {JAN}, pages = {911-918}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Understanding of Pb-N bonding chemistry is not only fundamentally important in the view of relativistic inert-pair effect but also is important for therapeutic as well as environmental applications. In the present study, an unusual reactivity of N-containing pi-conjugated polyaniline emeraldine base (EB) toward aqueous Pb2+ ions has been identified. In the course of sequestering Pb2+ ions by EB, cuboid-shaped nanocrystals were isolated. Synchrotron-based X-ray absorption near-edge structure and extended X-ray absorption fine structure techniques were employed to understand Pb-N bonding chemistry in EB-Pb nanocrystals. The adopted methodology of slow exposure of HCl vapor to EB-Pb nanomaterial facilitated the isolation of polyaniline emeraldine-salt (ES) with unique morphological patterns, porosity and electrical conductivity. The electrochemical device based on recycled ES showed high-capacitance value (similar to 606 F/g @1 A/g and similar to 663 F/g @10 mV/s), high-energy density (similar to 14.8 Wh/kg at power density of similar to 663 W/kg) and excellent-cycling stability (only similar to 15\% degradation after 1100 continued cycles at current density of 5 A/g). Notably, ES materials prepared directly from EB and upon exposing HNO3 vapor exhibited greatly inferior device performance.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b11217}, author = {Jha, Plawan Kumar and Singh, Santosh K. and Gatla, Suresh and Mathon, Olivier and Kurungot, Sreekumar and Ballav, Nirmalya} } @article { ISI:000369203800013, title = {Pd-catalyzed reductive cleavage of N-N bond in dibenzyl-1-alkylhydrazine-1,2-dicarboxylates with PMHS: application to a formal enantioselective synthesis of (R)-sitagliptin}, journal = {Tetrahedron Letters}, volume = {57}, number = {6}, year = {2016}, month = {FEB}, pages = {684-687}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An environmentally benign approach involving Pd-catalyzed reductive N-N bond cleavage in dibenzyl-1-alkylhydrazine-1,2-dicarboxylates leading to the synthesis of N-(tert-butoxy)carbamates under very mild conditions has been described. PMHS serves as an inexpensive source of hydride in MeOH/deionized H2O medium. This protocol has been successfully applied in the formal synthesis of (R)-sitagliptin, an anti-diabetic drug. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {anti-Diabetic, Environmentally benign, Hydrazine, PMHS, Reductive cleavage}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.12.116}, author = {Dey, Soumen and Gadakh, Sunita K. and Ahuja, Brij Bhushan and Kamble, Sanjay P. and Sudalai, Arumugam} } @article { ISI:000381236300089, title = {Pd(II)-catalyzed intramolecular tandem olefin amidation/C-H activation protocol for the syntheses of the protoberberine class of natural products}, journal = {Organic Letters}, volume = {18}, number = {15}, year = {2016}, month = {AUG}, pages = {3862-3865}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A Pd(II)-catalyzed intramolecular tandem olefin amidation/C-H activation protocol has been developed for the synthesis of an 8-oxoprotoberberine core. It was successfully applied for the syntheses of (+/-)-8-oxocanadine, (+/-)-8-oxotetrahydropalmitine, and (+/-)-8-oxostylopine, which can be easily converted to the respective protoberberine natural products. The short synthetic route demonstrated would be useful for the synthesis of a large number of natural products and their analogues featuring a protoberberine scaffold.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01868}, author = {Garad, Dnyaneshwar N. and Mhaske, Santosh B.} } @article {45868, title = {Peeping into genomic architecture by re-sequencing of Ochrobactrum intermedium M86 strain during laboratory adapted conditions}, journal = {Genomics Data}, volume = {8}, year = {2016}, month = {JUN}, pages = { 72-76}, type = {Article}, abstract = {Advances in de novo sequencing technologies allow us to track deeper insights into microbial genomes for restructuring events during the course of their evolution inside and outside the host. Bacterial species belonging to Ochrobactrum genus are being reported as emerging, and opportunistic pathogens in this technology driven era probably due to insertion and deletion of genes. The Ochrobactrum intermedium M86 was isolated in 2005 from a case of non-ulcer dyspeptic human stomach followed by its first draft genome sequence in 2009. Here we report re-sequencing of O. intermedium M86 laboratory adapted strain in terms of gain and loss of genes. We also attempted for finer scale genome sequence with 10 times more genome coverage than earlier one followed by comparative evaluation on Ion PGM and Illumina MiSeq. Despite their similarities at genomic level, lab-adapted strain mainly lacked genes encoding for transposase protein, insertion elements family, phage tail-proteins that were not detected in original strain on both chromosomes. Interestingly, a 5 kb indel was detected in chromosome 2 that was absent in original strain mapped with phage integrase gene of Rhizobium spp. and may be acquired and integrated through horizontal gene transfer indicating the gene loss and gene gain phenomenon in this genus. Majority of indel fragments did not match with known genes indicating more bioinformatic dissection of this fragment. Additionally we report genes related to antibiotic resistance, heavy metal tolerance in earlier and re-sequenced strain. Though SNPs detected, there did not span urease and flagellar genes. We also conclude that third generation sequencing technologies might be useful for understanding genomic architecture and re-arrangement of genes in the genome due to their ability of larger coverage that can be used to trace evolutionary aspects in microbial system. }, doi = {10.1016/j.gdata.2016.04.003}, author = {Gohil, K. N. and Neurgaonkar, P. S. and Paranjpe, A. and Dastager, S. G. and Dharne, M. S.} } @article { ISI:000374195700036, title = {Photocatalytic degradation of methylene blue on Sn-doped titania nanoparticles synthesized by solution combustion route}, journal = {Materials Research Bulletin}, volume = {76}, year = {2016}, month = {APR}, pages = {264-272}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Series of tin-doped titania nanoparticles with varying tin content in the range 0-20 mol\% have been prepared by solution combustion synthesis route using urea as a fuel. The structure, surface morphology and optical activity of Sn-doped TiO2 nanoparticles were investigated by various analytical techniques such as powder XRD, SEM, TEM, UV-vis and N-2 adsorption study. The crystalline structures of the various phases were studied by rietveld refinement of the XRD data. The photocatalytic performance of Sn-doped titania nanoparticles were tested for degradation of MB under UV and visible light irradiation. The results reveal that the photocatalytic activity increases with increase in tin content which may be due to decrease in crystallite size with increase in surface area. The doping of Sn into TiO2 lattice hinders the recombination of electrons and holes thus enhance the quantum efficiency of photocatalytic reaction. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Catalytic properties, composites, Nanostructures, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2015.12.041}, author = {Bhange, P. D. and Awate, S. V. and Gholap, Ramkrishna S. and Gokavi, G. S. and Bhange, Deu S.} } @article { ISI:000372684900009, title = {Photocatalytic H-2 evolution from water-methanol mixtures on InGaO3(ZnO)(m) with an anisotropic layered structure modified with CuO and NiO cocatalysts}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {415}, year = {2016}, month = {MAY}, pages = {82-88}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

InGaO3(ZnO)(m) series of oxides is found to be active for photocatalytic H-2 evolution from water-methanol mixtures. The structure of this series is highly anisotropic with InO6 octahedral layers sandwiching Ga/ZnOn polyhedra. The structural anisotropy in which the conducting layer is spatially separated from the charge generation sites may help in suppressing charge recombination and consequently enhance catalytic activity. The band gaps of the series obtained from absorption spectra are above 3.6 eV and hence they are not active under visible light irradiation. H-2 evolution is considerably enhanced under UV light on employing NiO as cocatalyst due to facile electron transfer from InGaO3(ZnO)(m). to NiO. However, when CuO is used as cocatalyst, visible light activity could be brought out. Due to the very low band gap of CuO, it can act as a sensitizer absorbing in visible light. The band positions become conducive for H-2 evolution due to band alignments consequent to electron accumulation in CuO conduction band. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {InGaO3(ZnO)(m), photocatalytic water splitting, visible light, XPS, XRD}, issn = {1381-1169}, doi = {10.1016/j.molcata.2016.01.018}, author = {Narendranath, Soumya B. and Thekkeparambil, Saranya V. and George, Leena and Thundiyil, Shibin and Devi, R. Nandini} } @article { ISI:000371021900071, title = {Photochromic metal-organic frameworks for inkless and erasable printing}, journal = {Chemical Science}, volume = {7}, number = {3}, year = {2016}, month = {DEC}, pages = {2195-2200}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Inkless and erasable printing is the key solution towards a more sustainable paper industry, in terms of reducing paper wastages and the associated environmental hazards from waste paper processing. However, only a few cases have been reported in the literature where inkless printing has been tested in some practical systems. In an attempt to address this solution, we used photochromic metal-organic frameworks (MOFs) and tested their capability as inkless and erasable printing media. The printing was performed using sunlight as the light source on MOF-coated papers. The resulting printing had good resolution and stability, and was capable of being read both by the human eye and smart electronic devices; furthermore, the paper could be reused for several cycles without any significant loss in intensity. Interestingly, different coloured printing with a similar efficiency was achieved by varying the structure of the MOF.

}, issn = {2041-6520}, doi = {10.1039/c5sc04450b}, author = {Garai, Bikash and Mallick, Arijit and Banerjee, Rahul} } @article {43572, title = {PolyHIPE derived freestanding 3D carbon foam for cobalt hydroxide nanorods based highperformance supercapacitor}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {OCT}, pages = {Article Number: 35490}, abstract = {The current paper describes enhanced electrochemical capacitive performance of chemically grown Cobalt hydroxide (Co(OH)(2)) nanorods (NRs) decorated porous three dimensional graphitic carbon foam (Co(OH)(2)/3D GCF) as a supercapacitor electrode. Freestanding 3D porous GCF is prepared by carbonizing, high internal phase emulsion (HIPE) polymerized styrene and divinylbenzene. The PolyHIPE was sulfonated and carbonized at temperature up to 850 degrees C to obtain graphitic 3D carbon foam with high surface area (389 m(2) g(-1)) having open voids (14 mu m) interconnected by windows (4 mu m) in monolithic form. Moreover, entangled Co(OH)(2) NRs are anchored on 3D GCF electrodes by using a facile chemical bath deposition (CBD) method. The wide porous structure with high specific surface area (520 m(2) g(-1)) access offered by the interconnected 3D GCF along with Co(OH)(2) NRs morphology, displays ultrahigh specific capacitance, specific energy and power. The Co(OH)(2)/3D GCF electrode exhibits maximum specific capacitance about similar to 1235 F g(-1) at similar to 1 Ag-1 charge-discharge current density, in 1 M aqueous KOH solution. These results endorse potential applicability of Co(OH)(2)/3D GCF electrode in supercapacitors and signifies that, the porous GCF is a proficient 3D freestanding framework for loading pseudocapacitive nanostructured materials.}, doi = {10.1038/srep35490}, author = {Patil, Umakant M. and Ghorpade, Ravindra V. and Nam, Min Sik and Nalawade, Archana C. and Lee, Sangrae and Han, Haksoo and Jun, Seong Chan} } @article {42861, title = {Porous thin films towards bridging the material gap in heterogeneous catalysis}, journal = {Catalysis, Structure \& Reactivity}, volume = {2}, year = {2016}, month = {MAR}, pages = {1-12}, type = {Article}, abstract = {

An attempt has been made to bridge the material gap, existing between ideal single crystals and real-world powder nanocatalyst employed in surface science and heterogeneous catalysis, respectively. Simple wet chemical method (sol{\textendash}gel and spin-coating deposition) has been applied to make continuous Ce1 - xZrxO2 (x = 0{\textendash}1) (CZ) thin films with uniform thickness (~40 nm) and smooth surface characteristics. Uniform thickness and surface smoothness of the films over a large area was supported by a variety of measurements. Molecular beam (MB) studies of O2 adsorption on CZ surfaces reveals the oxygen storage capacity (OSC), and sticking coefficient increases from 400 to 800 K. Porous nature of Ce-rich CZ compositions enhances O2 adsorption and OSC, predominantly due to O-diffusion and redox nature, even at 400 K. A good correlation exists between MB measurements made on CZ films for oxygen adsorption, and OSC, and ambient pressure CO oxidation on powder form of CZ; this demonstrates the large potential to bridge the material gap. CZ was particularly chosen as a model system for the present studies, since it has been well-studied and a correlation between surface science properties made on thin films and catalysis on powder CZ materials could be a litmus test. Ambient catalysis on ceria-zirconia nanocatalyst correlates well with surface properties measured through molecular beam on thinfilm and close the material gap.

}, doi = {10.1080/2055074X.2015.1133269}, author = {Dubey, Anjani and Kolekar, Sadhu K. and Gnanakumar, Edwin S. and Roy, Kanak and Vinod, C. P. and Gopinath, Chinnakonda S.} } @article { ISI:000368189500001, title = {Potential dual role of eugenol in inhibiting advanced glycation end products in diabetes: proteomic and mechanistic insights}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {JAN}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Medicinally important genus Ocimum harbors a vast pool of chemically diverse metabolites. Current study aims at identifying anti-diabetic candidate compounds from Ocimum species. Major metabolites in O. kilimandscharicum, O. tenuiflorum, O. gratissimum were purified, characterized and evaluated for anti-glycation activity. In vitro inhibition of advanced glycation end products (AGEs) by eugenol was found to be highest. Preliminary biophysical analysis and blind docking studies to understand eugenol-albumin interaction indicated eugenol to possess strong binding affinity for surface exposed lysines. However, binding of eugenol to bovine serum albumin (BSA) did not result in significant change in secondary structure of protein. In vivo diabetic mice model studies with eugenol showed reduction in blood glucose levels by 38\% likely due to inhibition of alpha-glucosidase while insulin and glycated hemoglobin levels remain unchanged. Western blotting using anti-AGE antibody and mass spectrometry detected notably fewer AGE modified peptides upon eugenol treatment both in vivo and in vitro. Histopathological examination revealed comparatively lesser lesions in eugenol-treated mice. Thus, we propose eugenol has dual mode of action in combating diabetes; it lowers blood glucose by inhibiting a-glucosidase and prevents AGE formation by binding to epsilon-amine group on lysine, protecting it from glycation, offering potential use in diabetic management.

}, issn = {2045-2322}, doi = {10.1038/srep18798}, author = {Singh, Priyanka and Jayaramaiah, Ramesha H. and Agawane, Sachin B. and Vannuruswamy, Garikapati and Korwar, Arvind M. and Anand, Atul and Dhaygude, Vitthal S. and Shaikh, Mahemud L. and Joshi, Rakesh S. and Boppana, Ramanamurthy and Kulkarni, Mahesh J. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article { ISI:000371228200032, title = {Prediction of reactivity ratios in free radical copolymerization from monomer resonance-polarity (Q-e) parameters: genetic programming-based models}, journal = {International Journal of Chemical Reactor Engineering}, volume = {14}, number = {1}, year = {2016}, month = {FEB}, pages = {361-372}, publisher = {WALTER DE GRUYTER GMBH}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {

The principal deficiency of the widely utilized Alfrey-Price (AP) scheme for computing reactivity ratios in the widely used free radical copolymerization is that it ignores important factors, such as the steric effects. This often leads to inaccurate reactivity ratio predictions by AP model. Accordingly, in this study, exclusively data-driven, Q-e parameter-based new models have been developed for the reactivity ratio prediction in free radical copolymerization. In the model development, a novel artificial intelligence formalism known as {\textquoteleft}{\textquoteleft}genetic programming (GP){\textquoteright}{\textquoteright} that performs symbolic regression has been employed. The GP-based models possess a different functional form than AP model. Further, parameters of GP-based models were fine-tuned using Levenberg-Marquardt (LM) nonlinear regression method. A comparison of AP, GP and GP-LM as well as artificial neural network (ANN)-based models indicates that GP and GP-LM models exhibit superior reactivity ratio prediction accuracy and generalization performance (with correlation coefficient magnitudes close to or greater than 0.9) when compared with AP and ANN models. The GPbased reactivity ratio prediction models developed here due to their higher accuracy and generalization capability have the potential of replacing the widely used AP models.

}, keywords = {Alfrey-Price scheme, free radical copolymerization, genetic programming, reactivity ratio, symbolic regression}, issn = {2194-5748}, doi = {10.1515/ijcre-2014-0039}, author = {Shrinivas, K. and Kulkarni, Rahul P. and Shaikh, Saif and Ghorpade, Ravindra V. and Vyas, Renu and Tambe, Sanjeev S. and Ponrathnam, S. and Kulkarni, Bhaskar D.} } @article { ISI:000375900200001, title = {Production of bikaverin by a Fusarium fujikuroi mutant in submerged cultures}, journal = {AMB Express}, volume = {6}, year = {2016}, month = {MAY}, pages = {Article Number: 34}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

A variety of mutants having different colony characteristics, morphology and soluble pigmentation were generated from Fusarium fujikuroi by exposure to UV radiation. Mutants were selected that formed dry, compact, small colonies with reddish-violet pigment on regeneration agar plates. The production of bikaverin by Mut-4 was examined in shake flasks in media with different nitrogen and carbon sources. The optimal C: N ratio for the maximal bikaverin production by Mut-4 was 150: 1. It produced still higher bikaverin (6.3 g l(-1)) in a medium containing defatted cottonseed meal as nitrogen source, in combination with glucose. Bikaverin produced was extracted, purified and characterized by UV-visible and NMR spectroscopy. Bikaverin production in the present investigation was substantially higher than that reported by earlier investigators in submerged and solid-state fermentations.

}, keywords = {Bikaverin, Fusarium fujikuroi, Gibberella fujikuroi, Pigment production, Submerged cultures}, issn = {2191-0855}, doi = {10.1186/s13568-016-0205-0}, author = {Lale, Geetanjali and Gadre, R. V.} } @article { ISI:000377822900018, title = {Proteomic insight reveals elevated levels of albumin in circulating immunecomplexes in diabetic plasma}, journal = {Molecular \& Cellular Proteomics}, volume = {15}, number = {6}, year = {2016}, month = {JUN}, pages = {2011-2020}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

A Hyperglycemic condition in diabetes promotes formation of advanced glycation end products, which are known to elicit immune response and form complexes with immunoglobulins called circulating immune complexes. To investigate the involvement of advanced glycation end product (AGE)-modified proteins in the elicitation of an immune response, circulating immune complexes were isolated and proteins associated were identified and characterized. Label-free-based mass spectrometric analysis of circulating immune complexes in clinical plasma of prediabetic, newly diagnosed diabetes, and diabetic microalbuminurea revealed elevated levels of serum albumin in the circulating immune complexes, which were also observed to be AGE modified. Further, to examine the role of glycation, circulating immune complexeswere analyzed in the streptozotocin-induced diabetic mice treated with or without aminoguanidine, a prototype glycation inhibitor. Mass spectrometric analysis of circulating immune complexes showed elevated levels of serum albumin in plasma from diabetic mice over that of control animals. Aminoguanidine-treated diabetic mice displayed decreased AGE modification of plasma albumin, accompanied by a reduced level of albumin in the circulating immune complexes. In addition, elevated levels of proinflammatory cytokines such as IL-1b, IL-2, and TNF-alpha were observed in diabetes, which were reduced with aminoguanidine treatment, suggesting the involvement of glycation in the immune response.

}, issn = {1535-9476}, doi = {10.1074/mcp.M116.058008}, author = {Bhat, Shweta and Jagadeeshaprasad, Mashanipalya G. and Patil, Yugendra R. and Shaikh, Mahemud L. and Regin, Bhaskaran S. and Mohan, Viswanathan and Giri, Ashok P. and Balasubramanyam, Muthuswamy and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article {43452, title = {Proton-coupled electron transfer in a hydrogen-bonded charge transfer complex}, journal = {Journal of Physical Chemistry B}, volume = {120}, year = {2016}, month = {OCT}, pages = {10780-10785}, abstract = {A proton-coupled electron transfer (PCET) reaction in a hydrogen bonded charge-transfer (CT) complex of 4-([2,2{\textquoteright}-bipyridin]-4-yl)phenol (bpy-phenol) with a F- ion has been investigated by ultrafast time-resolved transient absorption spectroscopy. The phenolic receptor molecule, bpy-phenol, binds to the F- ion through a hydrogen bond and senses the F- ion-via the Stokes-shifted CT band. Upon photoexcitation, CT from the phenol residue to the bpy residue promotes proton transfer from the phenol radical cation (ArOH center dot+) to the fluoride ion at ultrafast time scales of <150 fs (instrument response function limited) and 3 ps, separately. The fast and slow proton-transfer times are linked to two different types of hydrogen-bonding networks between the phenol residue and fluoride ion. Crystalline water in the fluoride salt hydrates mediates the proton-transfer reaction. This work demonstrates the participation of a hydrogen-bonded water bridge within a PCET reaction in a water restricted environment.}, doi = {10.1021/acs.jpcb.6b06032}, author = {Verma, Sandeep and Aute, Sunil and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000368563000067, title = {Pt- and TCO-free flexible cathode for DSSC from highly conducting and flexible PEDOT paper prepared via in situ interfacial polymerization}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {1}, year = {2016}, month = {JAN}, pages = {553-562}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here, we report the preparation of a flexible, free-standing, Pt- and TCO-free counter electrode in dye-sensitized solar cell (DSSC)-derived from polyethylenedioxythiophene (PEDOT)-impregnated cellulose paper. The synthetic strategy of making the thin flexible PEDOT paper is simple and scalable, which can be achieved via in situ polymerization all through a roll coating technique. The very low sheet resistance (4 Omega/square) obtained from a film of 40 mu m thick PEDOT paper (PEDOT-p-5) is found to be superior to the conventional fluorine-doped tin oxide (FTO) substrate. The high conductivity (357 S/cm) displayed by PEDOT-p-5 is observed to be stable under ambient conditions as well as flexible and bending conditions. With all of these features in place, we could develop an efficient Pt- and TCO-free flexible counter electrode from PEDOT-p-5 for DSSC applications. The catalytic activity toward the tri-iodide reduction of the flexible electrode is analyzed by adopting various electrochemical methodologies. PEDOT-p-5 is found to display higher exchange current density (7.12 mA/cm(2)) and low charge transfer resistance (4.6 Omega) compared to the benchmark Pt-coated FTO glass (2.40 mA/cm(2) and 9.4 Omega, respectively). Further, a DSSC fabricated using PEDOT-p-5 as the counter electrode displays a comparable efficiency of 6.1\% relative to 6.9\% delivered by a system based on Pt/FTO as the counter electrode.

}, keywords = {counter electrode, dye-sensitized solar cell, flexible and thin devices, impedance analysis, interfacial polymerization, polyethylenedioxythiophene}, issn = {1944-8244}, doi = {10.1021/acsami.5b09579}, author = {Anothumakkool, Bihag and Agrawal, Ishita and Bhange, Siddheshwar N. and Soni, Roby and Game, Onkar S. and Ogale, Satishchandra B. and Kurungot, Sreekumar} } @article {43594, title = {Purification and characterization of an extracellular beta-xylosidase from Pseudozyma hubeiensis NCIM 3574 (PhXyl), an unexplored yeast}, journal = {AMB Express}, volume = {6}, year = {2016}, month = {SEP}, pages = {Article Number: 73}, abstract = {This paper reports on the production of beta-xylosidase from an unexplored yeast, Pseudozyma hubeinsis. The expression of this enzyme could be induced by beech wood xylan when the yeast was grown at 27 degrees C. The enzyme was purified to homogeneity as a glycoprotein with 23 \% glycosylation. The purification protocol involved ammonium sulphate precipitation, QAE-Sephadex A50 ion exchange chromatography and sephacryl-200 column chromatography which resulted in 8.3-fold purification with 53.12 \% final recovery. The purified enzyme showed prominent single band on SDS-PAGE. It is a monomeric protein of 110 kDa molecular weight confirmed by SDS-PAGE followed by MALDI-TOF mass spectrometry (112.3 kDa). The enzyme was optimally active at 60 degrees C and pH 4.5 and stable at pH range (4-9) and at 50 degrees C for 4 h. Chemical modification studies revealed that active site of the purified enzyme comprised of carboxyl, tyrosine and tryptophan residues. The carboxyl residue is involved in catalysis and tryptophan residue is solely involved in substrate binding. The best match from the search of the NCBInr database was with gi vertical bar 808364558 glycoside hydrolase of Pseudozyma hubeiensis SY62 with 26 \% sequence coverage confirming that it is a glycoside hydrolase/beta-glucosidase. From the search of customized SWISSPROT database, it was revealed that SWISSPROT does not contain any entries that are similar to the purified enzyme.}, doi = {10.1186/s13568-016-0243-7}, author = {Mhetras, Nutan and Liddell, Susan and Gokhale, Digambar} } @article { ISI:000378514600006, title = {Quenching effect of uranyl species in the photoluminescence emission and visible-light-driven water dissociation activity of CdS and TiO2 photocatalysts}, journal = {Photochemical \& Photobiological Sciences}, volume = {15}, number = {6}, year = {2016}, month = {APR}, pages = {758-766}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Anchoring of uranyl species (2-4 mol\%) led to the complete quenching of photoluminescence emission and the visible-light-driven water photodissociation activity of TiO2 (Degussa-P25) and a hydrothermally synthesized CdS photocatalyst. Photophysical measurements revealed a fast relaxation and the transfer of photogenerated electrons/energy from the TiO2 or CdS substrate to the acceptor uranyl moieties. Besides the position of flat band levels, significant overlap of the absorption/emission spectra of the host matrix and the surface-bound UO22+ species is responsible for this reverse energy transfer from a wide bandgap semiconductor to a material with a smaller band-to-band energy gap.

}, issn = {1474-905X}, doi = {10.1039/c6pp00022c}, author = {Gupta, Narendra M. and Kelkar, Sarika A. and Korake, Prakash V.} } @article {43601, title = {Radio-frequency triggered heating and drug release using doxorubicin-loaded LSMO nanoparticles for bimodal treatment of breast cancer}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {145}, year = {2016}, month = {SEP}, pages = {878-890}, abstract = {Radio-frequency responsive nanomaterials combined with drugs for simultaneous hyperthermia and drug delivery are potential anti-cancer agents. In this study, chitosan coated La0.7Sr0.3MnO3 nanoparticles (C-LSMO NPs) were synthesized and characterized by X-ray diffraction, dynamic light scattering, Fourier transform infra red spectroscopy, vibrating sample magnetometer, scanning electron and atomic force microscopy, Under low radio-frequency (365 kHz, RF), C-LSMO NPs (90 nm) showed good colloidal stability (+22 mV), superparamagnetic nature (15.4 emu/g) and heating capacity (57.4W/g SAR value). Chitosan facilitated doxorubicin entrapment (76\%) resulted in DC-LSMO NPs that showed drug release upon a 5 min RF exposure. MCF-7 and MDA-MB-231 cancer cells responded to a 5 min RF exposure in the presence of bimodal DC-LSMO NPs with a significant decrease in viability to 73\% and 88\% (Pearson correlation, r = 1, P<0.01) respectively, as compared to hyperthermia alone. Internalization of DC-LSMO NPs via the endosomal pathway led to an efficient localization of doxorubicin within the cell nucleus. The ensuing DNA damage, heat shock protein induction, and caspase production triggered apoptotic cell death. Moreover, DC-LSMO NPs successfully restricted the migration of metastatic MDA-MB-231 cancer cells. These data suggest that DC-LSMO NPs are potential bimodal therapeutic agents for cancer treatment and hold promise against disease recurrence and drug resistance. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.colsurfb.2016.06.010}, author = {Kulkarni, Vaishnavi M. and Bodas, Dhananjay and Dhoble, Deepa and Ghormade, Vandana and Paknikar, Kishore} } @article { ISI:000378392200016, title = {Reductive nitrosylation of nickel(II) complex by nitric oxide followed by nitrous oxide release}, journal = {Dalton Transactions}, volume = {45}, number = {25}, year = {2016}, month = {MAY}, pages = {10200-10208}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Ni(II) complex of ligand L (L = bis(2-ethyl-4-methylimidazol-5-yl)methane) in methanol solution reacts with an equivalent amount of NO resulting in a corresponding Ni(I) complex. Adding further NO equivalent affords a Ni(I)-nitrosyl intermediate with the {NiNO}(10) configuration. This nitrosyl intermediate upon subsequent reaction with additional NO results in the release of N2O and formation of a Ni(II)-nitrito complex. Crystallographic characterization of the nitrito complex revealed a symmetric eta(2)-O,O-nitrito bonding to the metal ion. This study demonstrates the reductive nitrosylation of a Ni(II) center followed by N2O release in the presence of excess NO.

}, issn = {1477-9226}, doi = {10.1039/c6dt00826g}, author = {Ghosh, Somnath and Deka, Hemanta and Dangat, Yuvraj B. and Saha, Soumen and Gogoi, Kuldeep and Vanka, Kumar and Mondal, Biplab} } @inbook {45872, title = {Remediation of domestic and industrial effluents using algae}, booktitle = {Algal Biorefinery: An Integrated Approach}, year = {2016}, pages = {401-437}, publisher = {Springer International Publishing}, organization = {Springer International Publishing}, abstract = {In the environment, microbial activity is considered as one of the most important mechanisms for the abatement of water-borne pollutants. In the natural and anthropogenic environment the wide range of contaminates are not eliminated by single specie but by the complex interaction of a mixed microbial population performing complementary reactions. This principle is very much applicable for the treatment of the industrial and domestic wastewater, which has excess of nitrogenous compounds (N) and phosphates (P). N and P along with various organic pollutants, if not properly treated, would create a devastating impact on natural aquatic ecosystems. Among the many other disturbing impacts, most prevalent is the phenomenon of eutrophication, which is the accumulation of high levels of organic matter and the decomposing organisms, which deplete the oxygen in water, and causing the death of other organisms, such as fish. The excess nutrients in the aquatic ecosystem support the growth of various phytoplanktons. It not only spoils the water quality but also adversely affects the whole aquatic ecosystem. This chapter will address the possibility of effectively utilizing a natural microbial flora/consortium, enriched with the rapidly growing algae for the remediation of polluted water bodies.}, issn = {978-331922813-6;978-331922812-9}, doi = {10.1007/978-3-319-22813-6_18}, author = {Nene, S. N. and Gera, G. and Yewalkar, S. N.} } @article { ISI:000373762400005, title = {Reporter nanoparticle that monitors its anticancer efficacy in real time}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {113}, number = {15}, year = {2016}, month = {APR}, pages = {E2104-E2113}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

The ability to monitor the efficacy of an anticancer treatment in real time can have a critical effect on the outcome. Currently, clinical readouts of efficacy rely on indirect or anatomic measurements, which occur over prolonged time scales postchemotherapy or postimmunotherapy and may not be concordant with the actual effect. Here we describe the biology-inspired engineering of a simple 2-in-1 reporter nanoparticle that not only delivers a cytotoxic or an immunotherapy payload to the tumor but also reports back on the efficacy in real time. The reporter nanoparticles are engineered from a novel two-staged stimuli-responsive polymeric material with an optimal ratio of an enzyme-cleavable drug or immunotherapy (effector elements) and a drug function-activatable reporter element. The spatiotemporally constrained delivery of the effector and the reporter elements in a single nanoparticle produces maximum signal enhancement due to the availability of the reporter element in the same cell as the drug, thereby effectively capturing the temporal apoptosis process. Using chemotherapy-sensitive and chemotherapy-resistant tumors in vivo, we show that the reporter nanoparticles can provide a real-time noninvasive readout of tumor response to chemotherapy. The reporter nanoparticle can also monitor the efficacy of immune checkpoint inhibition in melanoma. The self-reporting capability, for the first time to our knowledge, captures an anticancer nanoparticle in action in vivo.

}, keywords = {chemotherapy, immunotherapy, monitoring, nanoparticle, reporter}, issn = {0027-8424}, doi = {10.1073/pnas.1603455113}, author = {Kulkarni, Ashish and Rao, Poornima and Natarajan, Siva and Goldman, Aaron and Sabbisetti, Venkata S. and Khater, Yashika and Korimerla, Navya and Chandrasekar, Vineethkrishna and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article {42900, title = {Repurposing of a drug scaffold: identification of novel sila analogues of rimonabant as potent antitubercular agents}, journal = {European Journal of Medicinal Chemistry}, volume = {122}, year = {2016}, month = {OCT}, pages = {723-730}, abstract = {

The structural similarity between an MmpL3 inhibitor BM212, and a cannabinoid receptor modulator rimonabant, prompted us to investigate the anti-tubercular activity of rimonabant and its analogues. Further optimization, particularly through incorporation of silicon into the scaffold, resulted in new compounds with significant improvement in anti-tubercular activity against Mycobacterium tuberculosis (H37Rv). The sila analogue 18a was found to be the most potent antimycobacterial compound (MIC, 31 ng/mL) from this series with an excellent selectivity index. (C) 2016 Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.ejmech.2016.07.009}, author = {Ramesh, Remya and Shingare, Rahul D. and Kumar, Vinod and Anand, Amitesh and Swetha, B. and Veeraraghavan, Sridhar and Viswanadha, Srikant and Ummanni, Ramesh and Gokhale, Rajesh S. and Reddy, D. Srinivasa} } @article { ISI:000374876700814, title = {Repurposing of old drugs: identification of novel sila analogues of rimonabant as potent antitubercular agents}, journal = {International Journal of Infectious Diseases}, volume = {45}, number = {1}, year = {2016}, month = {APR}, pages = {407-408}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, issn = {1201-9712}, doi = {10.1016/j.ijid.2016.02.870}, author = {Ramesh, R. and Shingare, R. and Anand, Amitesh and Veeraraghavan, S. and Viswanadha, S. and Ummanni, R. and Gokhale, R. and Reddy, D. S.} } @article { ISI:000374349600022, title = {Residue dependent hydrogen-bonding preferences in orthanilic acid-based short peptide beta-turn motifs}, journal = {RSC Advances}, volume = {6}, number = {42}, year = {2016}, month = {MAR}, pages = {35328-35331}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the competition between native beta-turn (C10) and 2-aminobenzenesulfonic acid (SAnt)( orthanilic acid)-based pseudo beta-turn (C11) in their hybrid peptides. Solid-state crystal structure and solution-state NMR studies revealed that C10 and C11 can be simultaneously observed under appropriate conditions. The variable temperature NMR coefficient data suggest that the isolated C11/C14 hydrogen bond is weaker in comparison with the consecutive C10 and C11 turns.

}, issn = {2046-2069}, doi = {10.1039/c6ra05684a}, author = {Jedhe, Ganesh S. and Vijayadas, Kuruppanthara N. and Kotmale, Amol S. and Sangtani, Ekta and Shinde, Dinesh R. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000371664700022, title = {Rhodium-catalyzed ortho C-H bond activation of arylamines for the synthesis of quinoline carboxylates}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, number = {10}, year = {2016}, month = {FEB}, pages = {2969-2977}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The rhodium catalyzed annulation of anilines with alkynic esters allowing for the high-yield synthesis of quinoline carboxylates with excellent regioselectivity is described. This unprecedented reaction employs either formic acid as the C1 source and reductant or copper(II) as the oxidant and is proposed to proceed via rhodacycle of in situ generated amide and enamine ester followed by ortho C-H activation of arylamines with rhodium as the catalyst.

}, issn = {1477-0520}, doi = {10.1039/c6ob00170j}, author = {Gadakh, Sunita K. and Dey, Soumen and Sudalai, A.} } @article {43589, title = {RNAi of selected candidate genes interrupts growth and development of Helicoverpa armigera}, journal = {Pesticide Biochemistry and Physiology}, volume = {133}, year = {2016}, month = {OCT}, pages = {44-51}, abstract = {Helicoverpa armigera is one of the major crop pests and is less amenable to current pest control approaches. RNA interference (RNAi) is emerging as a potent arsenal for the insect pest control over current methods. Here, we examined the effect on growth and development in H. armigera by targeting various enzymes/proteins such as proteases like trypsins (HaTry2, 3, 4 and 6), chymotrypsin (HaChy4) and cysteine protease like cathepsin (HaCATHL); glutathione S-transferases (HaGST1a, 6 and 8); esterases (HaAce4, HaJHE); catalase (HaCAT); super-oxide-dismutase (HaCu/ZnSOD); fatty acid binding protein (HaFabp) and chitin deacetylase (HaCda5b) through dsRNA approach. Significant downregulation of cognate mRNA expression and reduced activity of trypsin and GST-like enzyme were evident upon feeding candidate dsRNAs to the larvae. Among these, the highest mortality was observed in HaAce4 dsRNA fed larvae followed by HaJHE; HaCAT; HaCuZnSOD; HaFabp and HaTry3 whereas remaining ones showed relatively lower mortality. Furthermore, the dsRNA fed larvae showed significant reduction in the larval mass and abnormalities at the different stages of H. armigera development compared to their control diets. For example, malformed larvae, pupae and moth at a dose of 60 pg/day were evident in high number of individual insects fed on dsRNA containing diets. Moreover, the growth and development of insects and moths were retarded in dsRNA fed larvae. These findings might provide potential new candidates for designing effective dsRNA as pesticide in crop protection. (C) 2016 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.pestbp.2016.03.006}, author = {Chikate, Yojana R. and Dawkar, Vishal V. and Barbole, Ranjit S. and Tilak, Priyadarshini V. and Gupta, Vidya S. and Giri, Ashok P.} } @article {43579, title = { Robust highly flexible all-solid-state micro pseudocapacitor based on ternary oxide CuCo2O4 having ultrathin porous nanowall type morphology blended with CNT}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {OCT}, pages = {5159-5164}, abstract = {In this work we demonstrate a facile approach to the fabrication of all solid state flexible interdigitated micro pseudocapacitor device using pre-synthesized CuCo2O4 (CCO) ternary metal oxide as the electrode material. The hydrothermally synthesized CCO exhibits a peculiar 3D interconnected aligned porous nanowall type morphology which is highly desirable for storage as well as charge transfer. The device is fabricated using CO2 laser scribing technique and the PVA-H3PO4 gel electrolyte is used as the electrolyte. The as-synthesized CCO as well as its blend with 10 wt.\% CNT are examined for the electrochemical performance. CNT blending is shown to reduce the charge transfer resistance dramatically, thereby enhancing the pseudo capacitance. The areal capacitance of 2.29 mF cm(-2) is obtained from the solid state device. Moreover, the CCO-CNT electrode also shows a high stability upto 9000 cycles without a sign of further decay. Importantly, the devices also retain over 65\% of their initial capacitance after 1000 large angle (608) bending cycles and 93\% of the initial capacitance under 1208 bending condition, thanks to the mechanical flexibility afforded by CNTs without disrupting conducting paths.}, doi = {10.1002/slct.201601348}, author = {Basu, Aniruddha and Bhardwaj, Monika and Gawli, Yogesh and Rode, Chandrasekhar V. and Ogale, Satishchandra B.} } @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 { 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 {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 {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 {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:000372253200047, title = {Situ fabrication of highly crystalline CdS decorated Bi2S3 nanowires (nano-heterostructure) for visible light photocatalyst application}, journal = {RSC Advances}, volume = {6}, number = {28}, year = {2016}, month = {FEB}, pages = {23508-23517}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In situ synthesis of the orthorhombic Bi2S3 nanowires decorated with hexagonal CdS nanoparticles (nano-heterostructure) has been demonstrated by a facile solvothermal method. The tiny 5-7 nm CdS spherical nanoparticles are decorated on the surfaces of 30-40 nm Bi2S3 nanowires, successfully. Structural, morphological and optical studies clearly show the existence of CdS on the nanowires. A possible sequential deposition growth mechanism is proposed on the basis of experimental results to reveal the formation of the nano heterostructure. The heterostructures have been used as a photocatalyst for hydrogen production as well as degradation of methylene blue under solar light. The maximum hydrogen evolution i.e. 4560 and 2340 mu mol h(-1) 0.5 g was obtained from H2S splitting and glycerol degradation for Bi2S3 NWs decorated with CdS nanoparticles (nano-heterostructure) which is higher than that of the Bi2S3 NWs (3000 and 1170 mu mol h(-1) 0.5 g, respectively). The enhanced photocatalytical hydrogen evolution efficiency of the heterostructures is mainly attributed to its nanostructure. In the nano heterostructure, the CdS nanoparticles control the charge carrier transition, recombination, and separation, while the Bi2S3 nanowire serves as a support for the CdS nanoparticles. The photogenerated electron{\textquoteright}s migration is faster than the holes from the inside of a CdS nanoparticle to its surface or to the phase interface, resulting in a relatively higher hole density inside the CdS nanoparticle leaving electron density at surface of the Bi2S3 NWs. This influences the photocatalytic activity under solar light. Such nano-heterostructures may have potential in other photocatalytic reactions.

}, issn = {2046-2069}, doi = {10.1039/c6ra01488g}, author = {Panmand, Rajendra P. and Sethi, Yogesh A. and Deokar, Rajashree S. and Late, Dattatray J. and Gholap, Haribhau M. and Baeg, Jin-Ook and Kale, Bharat B.} } @article { ISI:000369515700086, title = {Solution chemistry-based nano-structuring of copper dendrites for efficient use in catalysis and superhydrophobic surfaces}, journal = {RSC Advances}, volume = {6}, number = {10}, year = {2016}, month = {JAN}, pages = {8416-8430}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Despite their performance and economic advantages over Ag and Au, there have been no focused research efforts on the nano-structuring of Cu dendrites with respect to fine-tuning their structure/morphology towards the efficiency enhancement of suitable applications. Reported here is a simple, versatile, environmentally-friendly and galvanic replacement reaction-based solution chemistry methodology to synthesize highly nano-structured copper dendrites targeted towards the efficiency enhancement of desired applications. Herein, copper is deposited galvanically on an Al foil in the presence of NaCl/HCl, wherein the chloride anions augment an uninterrupted replacement reaction. The growth process of Cu dendrites has been probed in detail. The presence of acid, the type of Cu2+ precursor salt, the Cu2+ ion concentration, the surfactant concentration and the reaction temperature are all demonstrated to provide useful means of modulating the surface structure/morphology of the dendrites. Notably, dendrites formed in the presence of acid are found to be highly nano-structured. Moreover, it is also found that the morphology/structure of the obtained Cu deposit depends considerably upon the choice of the Cu2+ precursor salt, a parameter that has been completely overlooked in the past. The acid-induced nano-structuring of the dendrites is exploited for enhancing their efficiency in the catalytic reduction of para-nitrophenol and for fabricating self-cleaning superhydrophobic surfaces. These nano-structured dendrites are demonstrated to have the highest ever normalized rate constant for the catalytic reduction reaction. Superhydrophobic surfaces fabricated using these dendrites demonstrate excellent self-cleaning abilities, showing a high contact angle (159 degrees) with low contact angle hysteresis (2 degrees). This facile synthetic strategy for the fabrication of highly nano-structured Cu dendrites is expected to open up avenues for the production of Cu-based low-cost functional nano/micro-materials.

}, issn = {2046-2069}, doi = {10.1039/c5ra22683j}, author = {Bakthavatsalam, Rangarajan and Ghosh, Subrata and Biswas, Ratul Kumar and Saxena, Aayushi and Raja, Alagar and Thotiyl, Musthafa Ottakam and Wadhai, Sandip and Banpurkar, Arun G. and Kundu, Janardan} } @article {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 {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 {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 {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 {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: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 {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: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: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 { 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: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 { 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 {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 {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 {45654, title = {Theoretical study of the ground and excited state tautomersim in curcumin using DFT based methods}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {252}, year = {2016}, month = {AUG }, type = {Article}, issn = {0065-7727}, author = {Grewal, Baljinder and Ghosh, Debashree} } @article {42857, title = {Is there any real effect of low dimensional morphologies towards light harvesting? a case study of Au-rGO-TiO2 nanocomposites}, journal = {Chemistry Select }, volume = {1}, year = {2016}, month = {APR}, pages = {917{\textendash}923}, abstract = {

Nanotube and nanosheet morphologies have been celebrated for their electron transport properties. Present work has been explored to exploit the same by combining 1D TiO2 nanotube (1D-TN) with 2D reduced graphene oxide (rGO) along with nano gold for visible light sensitization for photocatalytic H2 generation under one sun condition and visible light (λ>= 400 nm). Vertical and horizontal electron transport in 1D-TN and rGO, respectively, is combined with the visible light absorption capability of Au nanoparticle. H2 yield (HY) varies between 100 and 655 {\textmu}mol/g.h with an apparent quantum yield between 0.45 and 3.2 \%, respectively, depending on Au/rGO/1D-TN preparation method and reaction conditions. It has been demonstrated that interfacial contact between rGO/1D-TN and Au is crucial for high photocatalytic HY. Preparation method influences charge utilization, and hence HY, to a large extent. Nonetheless, the maximum HY reported in the present work is just comparable to HY reported in literature with the most commonly found spherical morphology, and this leads to a question of, is there any real influence of 1D and/or 2D materials, particularly, towards light harvesting applications?

}, doi = {10.1002/slct.201600182}, author = {Melvin, Ambrose A. and Bharad, Pradnya A. and Illath, Kavya and Lawrence, Meenu P. and Gopinath, Chinnakonda S.} } @article {42858, title = {Three way catalytic converter reactions aspects at near ambient temperatures on modified pd-surfaces}, journal = {Comptes Rendus Chimie}, volume = {19}, year = {2016}, month = {OCT}, pages = {1363-1369}, abstract = {

The dissolution of oxygen in palladium plays an important role in palladium catalysis. The present study shows that the surface modification (SM) due to the dissolution of atomic oxygen into the subsurfaces of palladium can be used as a control to tune its catalytic activity. CO oxidation and NO + H-2 + O-2 reaction was separately carried out on metallic Pd and on surface modified Pd using a molecular beam instrument and the results were compared. The metallic Pd does not show activity below 400 K for both reactions, whereas the SM-Pd shows activity at near-ambient temperatures. The electronic change due to SM was investigated using ambient pressure photoelectron spectroscopy, and the investigation clearly shows the effect of subsurface oxygen in the ambient temperature activity of palladium. (C) 2016 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.crci.2015.11.019}, author = {Roy, Kanak and Jain, Ruchi and Ghosalya, Manoj Kumar and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @article { ISI:000371948100113, title = {TiO2 modification by gold (Au) for photocatalytic hydrogen (H-2) production}, journal = {Renewable \& Sustainable Energy Reviews}, volume = {58}, year = {2016}, month = {MAY}, pages = {1366-1375}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

TiO2 is indeed one of the widely used semiconductors employed for photocatalytic hydrogen production. Most of its photocatalytic activity-is achieved in its crystalline form. However, its photocatalytic activity is limited to ultraviolet region. For making TiO2 visible light active; Au deposition is strongly recommended due to its surface plasmon feature. Au deposition enhances the photocatalytic activity of both crystalline and nanocrystalline TiO2. Efficiency of photocatalytic activity is controlled by shape and size of Au nanoparticle subsequently the synthetic methodology plays an important role. Herein, we furnish a brief description of TiO2-Au nanocomposite synthesis by different methods viz. sol-gel, photodeposition, deposition-precipitation simple reducing method and dispersion method. A discussion on physical properties of the resultant material is also provided. Three different types of mechanism has been described depending on the type of irradiation and form of TiO2 (crystalline and nanocrytalline). A comparative hydrogen production yield is also tabulated to get an idea about the best synthesis methodology and form of TiO2 for efficient photocatalysis. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Gold nanoparticle, Hydrogen generation, Nanocomposite, Photocatalysis, TiO2}, issn = {1364-0321}, doi = {10.1016/j.rser.2015.12.236}, author = {Gupta, Bhavana and Melvin, Ambrose A. and Matthews, Tom and Dash, Sitaram and Tyagi, A. K.} } @article { ISI:000368207600013, title = {Total synthesis of isocladosporin and 3-epi-isocladosporin}, journal = {Tetrahedron Letters}, volume = {57}, number = {1}, year = {2016}, month = {JAN}, pages = {53-55}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A convergent total synthesis of isocladosporin and 3-epi-isocladosporin is reported starting from commercially available homoallyl alcohol in 10 longest linear steps with 28\% overall yield. The key steps involved in the synthesis are cross-metathesis, tandem isomerization followed by C-O and C-C bond formation reactions for the synthesis of trans-2,6-disubstituted dihydropyrans developed by us, acylation reaction and Luche reaction. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Acylation reaction, Cross-metathesis, Iodocyclization, Isocladosporin 3-epi-Isodadosporin, Luche reduction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.11.060}, author = {Mohapatra, Debendra K. and Maity, Saurabh and Banoth, Shivalal and Gonnade, Rajesh G. and Yadav, J. S.} } @article { ISI:000379455300035, title = {Total synthesis of the marine natural product solomonamide B necessitates stereochemical revision}, journal = {Organic Letters}, volume = {18}, number = {13}, year = {2016}, month = {JUL}, pages = {3178-3181}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of the proposed structure of solomonamide B has been achieved. However, the H-1 and C-13 NMR spectral data of the synthesized compound was not exactly matching with that of the natural solomonamide B. This prompted us to revise the originally proposed structure, in particular, the stereochemistry of the nonpeptide part, which was confirmed by its total synthesis. During the course of the synthesis, we have developed an interesting hydroxy group directed Wacker oxidation of internal olefins in a macrocyclic setting.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01395}, author = {Kashinath, K. and Jachak, Gorakhnath R. and Athawale, Paresh R. and Marelli, Udaya Kiran and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000369001500017, title = {Toughening of epoxy novolac resin using cardanol based flexibilizers}, journal = {Journal of Applied Polymer Science}, volume = {133}, number = {16}, year = {2016}, month = {APR}, pages = {43318}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

In this work, two different cardanol based epoxies (Cardolite NC-514 and Cardanol NC-547) were employed as flexibilizers to toughen an epoxy novolac resin namely, poly[(phenylglycidyl ether)-co-formaldehyde] (PPGEF). 4,4-Diamino-3,3-dimethyl dicyclohexyl methane (BMCHA) was used as a curing agent. Differential scanning calorimetry and dynamic mechanical thermal analysis of the composites showed a gradual decrease in glass transition temperatures (T-g) with increase in cardolite content confirming the incorporation of flexible moieties into the brittle resin matrix. Improvement in toughening of PPGEF/Cardolite composites was manifested by increase in the izod impact strength of both the composites. The tensile strength increased marginally for composites with increasing amount of Cardolite NC-514 but decreased for the composites containing Cardolite NC-547. This was attributed to the lack of rotational motion in the chain due to close proximity of rigid phenyl rings in NC-547. SEM of the cryo-fractured surfaces of composites showed good compatibility between PPGEF and cardanol based flexibilizers. (c) 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43318.

}, keywords = {composites, crosslinking, glass transition}, issn = {0021-8995}, doi = {10.1002/app.43318}, author = {Gour, Rajeshwari S. and Kodgire, Vivek V. and Badiger, Manohar V.} } @article {42630, title = {Tracing the architecture of caffeic acid phenethyl ester cocrystals: studies on crystal structure, solubility, and bioavailability implications}, journal = {Crystal Growth \& Design}, volume = {16}, year = {2016}, month = {OCT}, pages = {5710-5716}, abstract = {

Caffeic acid phenethyl ester (CAPE) is a polyphenolic active compound present in popular apiproduct, "propolis", obtained from beehives, Though it has broad therapeutic capability, the bioavailability of CAPE is limited due to poor solubility. In this study, we report novel cocrystals of CAPE engineered using coformers such as caffeine (CAP), isonicotinamide (INIC), and nicotinamide (NIC) with enhanced solubility and bioavailability of CAPE. The cocrystals were prepared by microwave-assisted cocrystallization and characterized using PXRD, DSC, and Raman spectroscopy. PXRD and DSC confirm the successful formation and phase purity of CAPE-CAF, CAPE-INIC, and CAPE-NIC cocrystals. Raman spectra of CAPE cocrystals complement these results in confirming the formation of novel crystalline phases. CAPE-NIC cocrystal was further subjected X-ray crystallography to understand its molecular arrangement and hydrogen bonding in the crystal structure. The CAPE-NIC cocrystal structure is found to be stabilized by a rare 1,2-benzenediol-amide heterosynthon. Cocrystallization of CAPE with NIC improved its aqueous solubility and pharmacokinetic profile, thereby demonstrating a 2.76-fold escalation in bioavailability.

}, doi = {10.1021/acs.cgd.6b00759}, author = {Ketkar, Sameer and Pagire, Sudhir K. and Goud, N. Rajesh and Mahadik, Kakasaheb R. and Nangia, Ashwini and Paradkar, Anant} } @article { ISI:000369875900008, title = {Tunable nanocarrier morphologies from glycopolypeptide-based amphiphilic biocompatible star copolymers and their carbohydrate specific intracellular delivery}, journal = {Biomacromolecules}, volume = {17}, number = {2}, year = {2016}, month = {FEB}, pages = {466-475}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nanocarriers with carbohydrates on the surface represent a very interesting class of drug-delivery vehicles because carbohydrates are involved in biomolecular recognition events in vivo. We have synthesized biocompatible miktoarm star copolymers comprising glycopolypeptide and poly(e-caprolactone) chains using ring-opening polymerization and {\textquoteleft}{\textquoteleft}click chemistry{\textquoteright}{\textquoteright}. The amphiphilic copolymers were self-assembled in water into morphologies such as nanorods, polymersomes, and micelles with carbohydrates displayed on the surface. We demonstrate that the formation of nanostructure could be tuned by chain length of the blocks and was not affected by the type of sugar residue. These nanostructures were characterized in detail using a variety of techniques such as TEM, AFM, cryogenic electron microscopy, spectrally resolved fluorescence imaging, and dye encapsulation techniques. We show that it is possible to sequester both hydrophobic as well as hydrophilic dyes within the nanostructures. Finally, we show that these noncytotoxic mannosylated rods and polymersomes were selectively and efficiently taken up by MDA-MB-231 breast cancer cells, demonstrating their potential as nanocarriers for drug delivery.

}, issn = {1525-7797}, doi = {10.1021/acs.biomac.5b01354}, author = {Pati, Debasis and Das, Soumen and Patil, Naganath G. and Parekh, Nimisha and Anjum, Dalaver H. and Dhaware, Vinita and Ambade, Ashootosh V. and Sen Gupta, Sayam} } @article { ISI:000369212900018, title = {Tuning emission responses of a triphenylamine derivative in host-guest complexes and an unusual dynamic inclusion phenomenon}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {2}, year = {2016}, month = {JAN}, pages = {512-521}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A newly synthesized triphenylamine derivative (1Cl(3)) shows significant differences in inclusion complex formation with two different macrocyclic hosts, cucurbit[7]uril (CB[7]) and beta-cyclodextrin (beta-CD). Detailed investigations by NMR spectroscopy reveal that CB[7] forms a 1:3 host-guest complex ([1 center dot 3{CB[7]}]Cl-3) in which three arms of 1Cl(3) are bound to three host molecules. On the other hand, beta-CD forms a dynamic 1:1 inclusion complex ([1 center dot{beta-CD}]Cl-3) by binding to only one of the three arms of 1Cl(3) at a given time. The formation of a 1:1 host-guest complex with beta-CD and 1:3 host-guest complex with CB[7] was also confirmed from the results of the isothermal titration calorimetric studies. Interestingly, 1Cl(3) exhibits a rare dual emission property in solution at room temperature with the lower and higher energy bands arising from a locally excited state and an intramolecular charge-transfer transition, respectively. The difference in inclusion complex formation behavior of 1Cl(3) with the two macrocyclic hosts results in the stabilization of different emission states in the two inclusion complexes. The fundamental difference in the electrostatic surface potentials, cavity polarities, and shapes of the two macrocyclic hosts could account for the formation of the different inclusion complexes with distinct luminescence responses.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b02353}, author = {Gangopadhyay, Monalisa and Mandal, Amal K. and Maity, Arunava and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R. and Das, Amitava} } @article {43608, title = {Ultrahydrophobic fluorous metal-organic framework derived recyclable composite as apromising platform to tackle marine oil spills}, journal = {Chemistry-A European Journal}, volume = {22}, year = {2016}, month = {JUL}, pages = {10937-10943}, abstract = {Derived from a strategically chosen hexafluorinated dicarboxylate linker aimed at the designed synthesis of a superhydrophobic metal-organic framework (MOF), the fluorine-rich nanospace of a water-stable MOF (UHMOF-100) exhibits excellent water-repellent features. It registered the highest water contact angle (approximate to 176 degrees) in the MOF domain, marking the first example of an ultrahydrophobic MOF. Various experimental and theoretical studies reinforce its distinc-tive water-repellent characteristics, and the conjugation of superoleophilicity and unparalleled hydrophobicity of a MOF material has been coherently exploited to achieve real-time oil/water separation in recyclable membrane form, with significant absorption capacity performance. This is also the first report of an oil/water separating fluorinated ultrahydrophobic MOF-based membrane material, with potential promise for tackling marine oil spillages.}, doi = {10.1002/chem.201601724}, author = {Mukherjee, Soumya and Kansara, Ankit M. and Saha, Debasis and Gonnade, Rajesh and Mullangi, Dinesh and Manna, Biplab and Desai, Aamod V. and Thorat, Shridhar H. and Singh, Puyam S. and Mukherjee, Arnab and Ghosh, Sujit K.} } @article { ISI:000381436500019, title = {Understanding the electron transfer process in ZnO-naphthol azobenzoic acid composites from photophysical characterisation}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {32}, year = {2016}, month = {AUG}, pages = {22179-22187}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Semiconductor nanoparticles surface modified with organic molecules capable of visible light absorption and effectively transferring the electrons to the catalytic sites have the potential to be good photocatalysts. ZnO nanoparticles of size similar to 3 nm are grafted with two azonaphthols, one conjugated and the other non-conjugated. The photophysical properties of modified ZnO indicate an effective electron transfer from the conjugated azonaphthol to ZnO but not in the case of the non-conjugated molecule. It is also observed from lifetime studies that the conjugated molecule stabilises the defect sites on ZnO nanoparticles. It is possible that excited electrons from the conjugated molecule are transferred to specific defect sites in ZnO. This apparently does not occur in the non-conjugated molecule, bringing to focus the importance of the photophysical characteristics of organic modifiers in designing visible light active photocatalysts.

}, issn = {1463-9076}, doi = {10.1039/c6cp02908f}, author = {George, Leena and Kunhikannan, Athira K. and Illathvalappil, Rajith and Ottoor, Divya and Kurungot, Sreekumar and Devi, R. Nandini} } @article {42738, title = {Unified strategy for nickel-catalyzed C-2 Alkylation of indoles through chelation assistance}, journal = {ACS Catalysis}, volume = {6}, year = {2016}, month = {JUL}, pages = {5666{\textendash}5672}, abstract = {

A nickel-catalyzed direct C-2 alkylation of indoles through monodentate-chelation assistance has been described. This reaction proceeds via an unusual strategy by the use of a well-designed and defined (quinolinyl)amido{\textendash}nickel catalyst, [{κN,κN,κN-Et2NCH2C(O)(μ-N)C9H6N}Ni(OAc)], providing a solution to the limitations associated with bidentate-chelate auxiliaries. The method allows coupling of indoles with various unactivated primary and secondary alkyl halides with ample substrate scope. This uniquely strategized alkylation proceeded through crucial C{\textendash}H activation and via an alkyl radical intermediate. The reaction by this approach represents a rare example of Ni-catalyzed monodentate-chelate-assisted C{\textendash}H functionalization.

}, doi = {10.1021/acscatal.6b02003}, author = {Soni, Vineeta and Jagtap, Rahul A. and Gonnade, Rajesh G. and Punji, Benudhar} } @article {45651, title = {Urinary proteome alterations in HER2 enriched breast cancer revealed by multipronged quantitative proteomics}, journal = {Proteomics}, volume = {16}, year = {2016}, month = {SEP}, pages = {2403-2418}, type = {Article}, abstract = {

Globally, breast cancer is the second most common cancer among women. Although biomarker discoveries through various proteomic approaches of tissue and serum samples have been studied in breast cancer, urinary proteome alterations in breast cancer are least studied. Urine being a noninvasive biofluid and a significant source of proteins, it has the potential in early diagnosis of breast cancer. This study used complementary quantitative gel-based and gel-free proteomic approaches to find a panel of urinary protein markers that could discriminate HER2 enriched (HE) subtype breast cancer from the healthy controls. A total of 183 differentially expressed proteins were identified using three complementary approaches, namely 2D-DIGE, iTRAQ, and sequential window acquisition of all theoretical mass spectra. The differentially expressed proteins were subjected to various bioinformatics analyses for deciphering the biological context of these proteins using protein analysis through evolutionary relationships, database for annotation, visualization and integrated discovery, and STRING. Multivariate statistical analysis was undertaken to identify the set of most significant proteins, which could discriminate HE breast cancer from healthy controls. Immunoblotting and MRM-based validation in a separate cohort testified a panel of 21 proteins such as zinc-alpha2-glycoprotein, A2GL, retinol-binding protein 4, annexin A1, SAP3, SRC8, gelsolin, kininogen 1, CO9, clusterin, ceruloplasmin, and alpha 1-antitrypsin could be a panel of candidate markers that could discriminate HE breast cancer from healthy controls.

}, keywords = {2D-DIGE, Biomedicine, Breast cancer, HER2 enriched, SWATH, Urinary biomarkers}, issn = {1615-9853}, doi = {10.1002/pmic.201600015}, author = {Gajbhiye, Akshada and Dabhi, Raju and Taunk, Khushman and Vannuruswamy, Garikapati and RoyChoudhury, Sourav and Adhav, Ragini and Seal, Shubhendu and Mane, Anupama and Bayatigeri, Santhakumari and Santra, Manas K. and Chaudhury, Koel and Rapole, Srikanth} } @conference { ISI:000382147300037, title = {Use genetic programming for selecting predictor variables and modeling in process identification}, booktitle = {2016 Indian Control Conference (ICC)}, year = {2016}, note = {2nd Indian Control Conference (ICC), Indian Inst Technol, Hyderabad, INDIA, JAN 04-06, 2016}, month = {JAN}, pages = {230-237}, publisher = {IEEE Control Syst Soc; Honeywell; Mathworks; ABB R \& D Div; GE; Mahindra Ecole Centrale}, organization = {IEEE Control Syst Soc; Honeywell; Mathworks; ABB R \& D Div; GE; Mahindra Ecole Centrale}, address = {345 E 47th ST, New York, NY 10017 USA}, abstract = {

Availability of an accurate and robust dynamic model is essential for implementing the model dependent process control. When first principles based modeling becomes difficult, tedious and/or costly, a dynamic model in the black-box form is obtained (process identification) by using the measured input-output process data. Such a dynamic model frequently contains a number of time delayed inputs and outputs as predictor variables. The determination of the specific predictor variables is usually done via a trial and error approach that requires an extensive computational effort. The computational intelligence (CI) based data-driven modeling technique, namely, genetic programming (GP) can search and optimize both the structure and parameters of a linear/nonlinear dynamic process model. It is also capable of choosing those predictor variables that significantly influence the model output. Thus usage of GP for process identification helps in avoiding the extensive time and efforts involved in the selection of the time delayed input-output variables. This advantageous GP feature has been illustrated in this study by conducting process identification of two chemical engineering systems. The results of the GP-based identification when compared with those obtained using the transfer function based identification clearly indicates the outperformance by the former method.

}, keywords = {dynamic model, genetic programming, predictor variable, process identification, Sensitivity analysis}, isbn = {978-1-4673-7993-9}, author = {Verma, Devendra and Goel, Purva and Patil-Shinde, Veena and Tambe, Sanjeev S.} } @article {45831, title = {Valorization of coffee bean waste: a coffee bean waste derived multifunctional catalyst for photocatalytic hydrogen production and electrocatalytic oxygen reduction reactions}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {AUG}, pages = {82103-82111}, type = {Article}, abstract = {

Here, we report the valorization of coffee bean waste (CBW) by producing nitrogen doped porous carbon (p-Cof) having both photocatalytic and electrocatalytic properties using a silica templating method. Morphological investigation of p-Cof reveals the presence of assemblies of highly porous flat carbon blocks. p-Cof exhibits a high surface area (1213 m(2) g(-1)) and a wide range of micro-and mesopores with good electrical conductivity. Along with this, the surface of p-Cof displays the presence of graphitic and pyridone-type nitrogen coordinations, which help p-Cof to perform as a multifunctional catalyst as revealed from its catalytic activities towards photocatalytic hydrogen production (PHP) and electrocatalytic oxygen reduction reactions. p-Cof produces 334 mu mol h(-1) g(-1) of hydrogen from water under visible light and 575 mmol h(-1) g(-1) of hydrogen under solar light irradiation with excellent stability. Along with this, p-Cof also displays improved oxygen reduction reaction (ORR) activity in alkaline medium. A better onset potential (0.91 V vs. RHE) and half-wave potential (0.75 V vs. RHE) are displayed by p-Cof compared to the catalyst derived from the simple annealing of CBW without employing the silica template. Along with the better electrochemical activity, p-Cof shows excellent ORR kinetics and electrochemical stability compared to the current state-of-the-art Pt/C.

}, issn = {2046-2069}, doi = {10.1039/c6ra14907c}, author = {Unni, SreeKuttan M. and George, Leena and Bhange, Siddheshwar N. and Devi, R. Nandini and Kurungot, Sreekumar} } @article { ISI:000371419200030, title = {Versatile Cu-II metal-organic framework exhibiting high gas storage capacity with selectivity for CO2: conversion of CO2 to cyclic carbonate and other catalytic abilities}, journal = {Chemistry-A European Journal}, volume = {22}, number = {10}, year = {2016}, month = {MAR}, pages = {3387-3396}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

A linear tetracarboxylic acid ligand, H4L, with a pendent amine moiety solvothermally forms two isostructural metal-organic frameworks (MOFs) L-M (M=Zn-II, Cu-II). Framework L-Cu can also be obtained from L-Zn by post- synthetic metathesis without losing crystallinity. Compared with L-Zn, the L-Cu framework exhibits high thermal stability and allows removal of guest solvent and metal-bound water molecules to afford the highly porous, L-Cu. At 77K, L-Cu absorbs 2.57wt\% of H-2 at 1bar, which increases significantly to 4.67wt\% at 36bar. The framework absorbs substantially high amounts of methane (238.38cm(3)g(-1), 17.03wt\%) at 303K and 60bar. The CH4 absorption at 303K gives a total volumetric capacity of 166cm(3)(STP)cm(-3) at 35bar (223.25cm(3)g(-1), 15.95wt\%). Interestingly, the NH2 groups in the linker, which decorate the channel surface, allow a remarkable 39.0wt\% of CO2 to be absorbed at 1bar and 273K, which comes within the dominion of the most famous MOFs for CO2 absorption. Also, L-Cu shows pronounced selectivity for CO2 absorption over CH4, N-2, and H-2 at 273K. The absorbed CO2 can be converted to value-added cyclic carbonates under relatively mild reaction conditions (20bar, 120 degrees C). Finally, L-Cu is found to be an excellent heterogeneous catalyst in regioselective 1,3-dipolar cycloaddition reactions (click reactions) and provides an efficient, economic route for the one-pot synthesis of structurally divergent propargylamines through three-component coupling of alkynes, amines, and aldehydes.

}, keywords = {click reactions, CO2 absorption, cyclic carbonate, heterogeneous catalysis, metal-organic frameworks}, issn = {0947-6539}, doi = {10.1002/chem.201504747}, author = {De, Dinesh and Pal, Tapan K. and Neogi, Subhadip and Senthilkumar, S. and Das, Debasree and Sen Gupta, Sayam and Bharadwaj, Parimal K.} } @article { ISI:000380565100006, title = {Virtual screening techniques to probe the antimalarial activity of some traditionally used phytochemicals}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {19}, number = {7}, year = {2016}, month = {JUL}, pages = {572-591}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Malaria parasites show resistance to most of the antimalarial drugs and hence developing antimalarials which can act on multitargets rather than a single target will be a promising strategy of drug design. Here we report a new approach by which virtual screening of 292 unique phytochemicals present in 72 traditionally important herbs is used for finding out inhibitors of plasmepsin-2 and falcipain-2 for antimalarial activity against P. falciparum. Initial screenings of the selected molecules by Random Forest algorithm model of Weka using the bioassay datasets AID 504850 and AID 2302 screened 120 out of the total 292 phytochemicals to be active against the targets. Toxtree scan cautioned 21 compounds to be either carcinogenic or mutagenic and were thus removed for further analysis. Out of the remaining 99 compounds, only 46 compounds offered drug-likeness as per the {\textquoteleft}rule of five{\textquoteright} criteria. Out of ten antimalarial drug targets, only two target proteins such as 3BPF and 3PNR of falcipain-2 and 1PFZ and 2BJU of plasmepsin-2 are selected as targets. The potential binding of the selected 46 compounds to the active sites of these four targets was analyzed using MOE software. The docked conformations and the interactions with the binding pocket residues of the target proteins were understood by {\textquoteleft}Ligplot{\textquoteright} analysis. It has been found that 8 compounds are dual inhibitors of falcipain-2 and plasmepsin-2, with the best binding energies. Compound 117 (6aR, 12aS)-12a-Hydroxy-9-methoxy-2,3-dimethylenedioxy-8-prenylrotenone (Usaratenoid C) present in the plant Millettia usaramensis showed maximum molecular docking score.

}, keywords = {ADME, malaria, Molecular docking, molecular operating environment, Plasmodium falciparum, virtual screening, weka}, issn = {1386-2073}, doi = {10.2174/1386207319666160420141200}, author = {Shibi, Indira G. and Aswathy, Lilly and Jisha, Radhakrishnan S. and Masand, Vijay H. and Gajbhiye, Jayant M.} } @article {42825, title = {[3+2]-Annulation of platinum-bound azomethine ylides with distal C[double bond, length as m-dash]C bonds of N-allenamides}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JAN}, pages = {196-199}, type = {Article}, abstract = {

A Pt-catalyzed, highly regioselective reaction between N-allenamides and imino-alkynes leading to pyrrolo[1,2-a] indoles is described. This represents the first example of [3+2]-annulation of Pt-bound azomethine ylides with the distal CQC bond of N-allenamides. The mechanism of the reaction was established by computational studies.

}, doi = {10.1039/c6cc07874e}, author = {Chakrabarty, Indradweep and Inamdar, Suleman M. and Akram, Manjur O. and Gade, Amol B. and Banerjee, Subhrashis and Bera, Saibal and Patil, Nitin T.} } @article {43999, title = {Acyclic αγα-tripeptides with fluorinated- and nonfluorinated-furanoid sugar framework: importance of fluoro substituent in reverse-turn induced self-assembly and transmembrane ion-transport activity}, journal = {Journal Of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUN}, chapter = {5826-5834}, abstract = {

Acyclic αγα-tripeptides derived from fluorinated-furanoid sugar amino acid frameworks act as reverse-turn inducers with a U-shaped conformation, whereas the corresponding nonfluorinated αγα-tripeptides show random peptide conformations. The NMR studies showed the presence of bifurcated weak intramolecular hydrogen bonding (F{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}HN) and N+{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}Fδ- charge-dipole attraction compel the amide carbonyl groups to orient antiperiplanar to the C-F bond, thus, demonstrating the role of the fluorine substituent in stabilizing the U-shaped conformation. The NOESY data indicate that the U-shaped tripeptides self-assembly formation is stabilized by the intermolecular hydrogen bonding between C=O{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}HN with antiparallel orientation. This fact is supported by ESI-MS data, which showed mass peaks up to the pentameric self-assembly, even in the gas phase. The morphological analysis by FE-SEM, on solid samples, showed arrangement of fibers into nanorods. The antiparallel self-assembled pore of the fluorinated tripeptides illustrates the selective ion-transport activity. The experimental findings were supported by DFT studies.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b00661}, author = {Burade, S. S. and Shinde, S. V. and Bhuma, N. and Kumbhar, N. and Kotmale, A. and Rajamohanan, P. R. and Gonnade, R. G. and Talukdar, P. and Dhavale, D. D.} } @article {43830, title = {AgOTf-catalyzed dehydrative [3+2] annulation of aziridines with 2-naphthols}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUL}, pages = {8219-8222}, abstract = {The reaction of 2-naphthols with aziridines in the presence of AgOTf resulting in a dehydrative, formal [3+2] annulation is reported. The reaction allows the synthesis of functionalized benzoindolines, and tolerates a broad range of functional groups. A preliminary study on themechanism of this reaction indicates an SN1-type ring-opening of aziridines. This method is demonstrated for the one-pot synthesis of benzoindoles.}, doi = {10.1039/c7cc03425c}, author = {Kaicharla, Trinadh and Jacob, Anu and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {44032, title = {Amaranthus caudatus lectin with polyproline II fold: conformational and functional transitions and molecular dynamics}, journal = {Journal of biomolecular Structure \& Dynamics}, volume = {1}, year = {2017}, month = {JUL}, type = {Article}, abstract = {Polyproline II (PPII) fold, a peculiar structural element was detected in the Amaranthus caudatus seed lectin (ACL) based on far UV circular dichroism spectrum, conformational transitions of the lectin and a distinct isodichroic point in thermal denaturation. It was confirmed by using PolyprOnline database to estimate the percentage of amino acids contributing to PPII fold and showed the values as 13.5\% and 13.9\% for PROSS and XTLSSTR, respectively. Investigations of the functional and conformational transitions of ACL during thermal, pH and guanidine hydrochloride (GdnHCl) induced denaturation were carried out using biochemical and biophysical techniques and molecular dynamics (MD) simulations approach. The lectin got aggregated at 60 {\textdegree}C with instantaneous structural alterations. The aggregation-prone regions in ACL were predicted using online servers viz. AGGRESCAN, AmylPred, FoldAmyloid and Waltz that were represented by Visual Molecular Dynamics tools. Nine conserved regions were identified by these softwares as being {\textquoteleft}hot-spots{\textquoteright} for aggregation. MD simulation studies of the lectin at 60 {\textdegree}C revealed increase in radius of gyration. The loss of PPII fold in 2.0 M GdnHCl was reversible. The partially unfolded intermediate of ACL with diminished PPII fold formed at pH 1.0 was stable up to 90 {\textdegree}C. The polyproline II fold has been rarely detected in lectins, ACL being the second after the potato lectin.}, doi = {10.1080/07391102.2017.1345328}, author = {Yadav, Priya and Shahane, Ganesh and Gaikwad, Sushama M.} } @article {42892, title = {Ambient CO oxidation on in-situ generated Co3O4 spinel surfaces with random morphology}, journal = {ChemistrySelect}, year = {2017}, month = {JAN}, pages = {431{\textendash}432}, abstract = {

The influence of the Co3O4 morphology on its redox behavior and catalytic performance in the CO oxidation reaction is studied. Three different Co3O4 morphologies were synthesized by precipitation and hydrothermal methods. TEM and SEM observations clearly show the different obtained morphologies: rods, wires and a mixture of plates and cubes. The textural properties depend on the morphology and the redox ones on the particle size. XRD analysis reveals a spinel structure in all solids but a preferential exposition of the [110] plane is presented in the Co3O4 rods. This preferential exposition, along with its higher specific surface area provides the rods with more efficient oxygen storage capacity resulting in an excellent catalytic performance compared to the other two morphologies.

}, doi = {10.1002/slct.201602010}, author = {Dubey, Anjani and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @article {43825, title = {Amphi-functional mesoporous silica nanoparticles for dye separation}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {JUL}, pages = {14914-14921}, type = {Article}, abstract = {Synthesis of amphi-functional mesoporous silica nanoparticles (similar to 80 nm) by stepwise chemical modifications of outer and inner pore surfaces is reported. These materials display a clear "Janus" like character and are able to selectively and completely separate hydrophobic dyes form a mixture of dyes. Our results clearly suggest a clear partition of more hydrophobic dyes into the pores from a mixture of two dyes. In addition this material displays a remarkable recycling ability for 10 cycles with up to similar to 99\% dye removal from water.}, doi = {10.1039/c7ta03904b}, author = {Shinde, Pravin and Sen Gupta, Sayam and Singh, Baljeet and Polshettiwar, Vivek and Prasad, Bhagavatula L. V.} } @article {43949, title = {Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {MAY}, pages = {515-531}, type = {Article}, abstract = {

Abstract: Molecular Property Diagnostic Suite (MPDS TB) is a web tool (http://mpds.osdd.net) designed to assist the in silico drug discovery attempts towards Mycobacterium tuberculosis (Mtb). MPDS TB tool has nine modules which are classified into data library (1{\textendash}3), data processing (4{\textendash}5) and data analysis (6{\textendash}9). Module 1 is a repository of literature and related information available on the Mtb. Module 2 deals with the protein target analysis of the chosen disease area. Module 3 is the compound library consisting of 110.31 million unique molecules generated from public domain databases and custom designed search tools. Module 4 contains tools for chemical file format conversions and 2D to 3D coordinate conversions. Module 5 helps in calculating the molecular descriptors. Module 6 specifically handles QSAR model development tools using descriptors generated in the Module 5. Module 7 integrates the AutoDock Vina algorithm for docking, while module 8 provides screening filters. Module 9 provides the necessary visualization tools for both small and large molecules. The workflow-based open source web portal, MPDS TB 1.0.1 can be a potential enabler for scientists engaged in drug discovery in general and in anti-TB research in particular. Graphical Abstract: SYNOPSIS: A web-based MPDS TB Galaxy tool is developed for assessing therapeutic potential of molecules. MPDS TB is categorized into Data Library, Data Processing and Data Analysis. It can be a potential enabler for scientists engaged in drug discovery in general and in anti-TB research in particular. [Figure not available: see fulltext.] {\textcopyright} 2017, Indian Academy of Sciences.

}, keywords = {chemical analysis, Chemoinformatics, computational chemistry, Diagnosis, Drug discovery portal, Information analysis, Libraries, Molecular graphics, Molecules, Neglected diseases, Open science, Portals, tuberculosis, Web-based technology, Websites}, issn = {0974-3626}, doi = {10.1007/s12039-017-1268-4}, author = {Gaur, A. S. and Bhardwaj, A. and Sharma, A. and John, L. and Vivek, M. R. and Tripathi, N. and Bharatam, P. V. and Kumar, R. and Janardhan, S. and Mori, A. and Banerji, A. and Lynn, A. M. and Hemrom, A. J. and Passi, A. and Singh, A. and Kumar, A. and Muvva, C. and Madhuri, C. and Choudhury, C. and Kumar, D. A. and Pandit, D. and Bharti, D. R. and Kumar, D. and Singam, E. A. and Raghava, G. P. and Sailaja, H. and Jangra, H. and Raithatha, K. and Tanneeru, K. and Chaudhary, K. and Karthikeyan, M. and Prasanthi, M. and Kumar, N. and Yedukondalu, N. and Rajput, N. K. and Saranya, P. S. and Narang, P. and Dutta, Prantu and Krishnan, R.} } @article {45660, title = {Auger decay rates of core hole states using equation of motion coupled cluster method}, journal = {Chemical Physics}, volume = {482 }, year = {2017}, month = {JAN}, pages = {160-164}, type = {Article}, abstract = {The recent development of Linac coherent light source high intense X-ray laser makes it possible to create double core ionization in the molecule. The generation of double core hole state and its decay is identified by Auger spectroscopy. The decay of this double core hole (DCH) states can be used as a powerful spectroscopic tool in chemical analysis. In the present work, we have implemented a promising approach, known as CAP-EOMCC method, which is a combination of complex absorbing potential (CAP) and equation -of-motion coupled cluster (EOMCC) approach to calculate the lifetime of single and double core hole states. We have applied this method to calculate the lifetime of the single core hole (K-LL) and double core hole (KK-KLL) states of CH4, NH3 and HF molecules. The predicted lifetime is found to be extremely short. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.chemphys.2016.09.038}, author = {Ghosh, Aryya and Vaval, Nayana and Pal, Sourav} } @article {43905, title = {Base-free and catalyst-free synthesis of functionalized dihydrobenzoxazoles via vinylogous carbonate to carbamate rearrangement}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {OCT}, type = {Article}, abstract = {An unexpected, catalyst-free, and base-free intramolecular cyclization of N-aryloxyacrylate aldimines, under thermal conditions leading to the synthesis of functionalized dihydrobenzoxazoles, is reported. The reaction features a unique rearrangement of vinylogous carbonates to vinylogous carbamates resulting in a new carbon{\textendash}oxygen and carbon{\textendash}nitrogen bond construction. The reaction tolerates a broad range of functional groups and the desired products are formed in moderate to good yields.}, doi = {10.1021/acs.orglett.7b02733}, author = {Das, Tamal Kanti and Mondal, Santigopal and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {43904, title = {Binding selectivity of vitamin K3 based chemosensors towards nickel(II) and copper(II) metal ions}, journal = {Journal of molecular Structure}, volume = {1143}, year = {2017}, month = {SEP}, chapter = {495-514}, abstract = {

The vitamin K3 derivatives 2-methyl-3-[(pyridin-2-ylmethyl)-amino]-1,4-naphthoquinone (M-1), 2-methyl-3-[(pyridin-2-ylethyl)-amino]-1,4-naphthoquinone (M-2), 2-methyl-3-((2-(thiophen-2-yl) methyl)amino)naphthalene-1,4-dione (M-3) and 2-methyl-3-((2-(thiophen-2-yl)ethyl)amino)naphthalene-1,4-dione (M-4) have been synthesized, characterized and studied for their chemosensor abilities towards transition metal ions. Crystal structures of M-1 to M-4 revealed a variety of N-H center dot center dot O, C-H center dot center dot center dot O, C-H center dot center dot center dot pi and pi center dot center dot center dot pi interactions. Minor variations in such interactions by chemical stimuli such as metal ions, results in change in color that can be visualized by naked eyes. It has been shown that electronic structure and H-1 NMR, vibrational as well as electronic spectra from the density functional theory agree well with the experiments. The metal ion binding in ethanol, ethanol-water and in mild base triethylamine brings forth recognizing ability of M-1 toward Ni2+ whereas M-2 exhibits large sensing ability for Cu2+ ion. Interestingly M-1 display varying metal ion binding specificity in different solvents with the association constant in ethanol being 11,786 M-1 for Ni2+ compared to 9462 M-1 for the Cu2+. A reversal in preferential binding of M-2 with the respective association constants being 4190 M-1 and 6370 M-1 is discernible. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Aminonaphthoquinone Molecular-structures, Anthraquinone, Aqueous-solution, Chemosensor, Crystal-structures, Cu(II), Derivatives, DFT, Fluorometric Chemosensors, hydrogen bonding, Naphthoquinone, pi-pi stacking, Recognition, sensors}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2017.04.094}, author = {Patil, Amit and Lande, Dipali N. and Nalkar, Archana and (Gejji, Shridhar P. and Chakrovorty, Debamitra and Gonnade, Rajesh and Moniz, Tania and Rangel, Maria and Pereira, Eulalia and Salunke-Gawali, Sunita} } @article {44136, title = {Biology and development of xanthopimpla pedator (hymenoptera: ichneumonidae): pupal endoparasitoid of antheraea mylitta (Lepidoptera: Saturniidae)}, journal = {Annals of the Entomological Society of America}, volume = {110}, year = {2017}, month = {NOV}, pages = {544-550}, type = {Article}, abstract = {The Antheraea mylitta (Drury) (Lepidoptera: Saturniidae) is a commercially important species for the production of tasar silk. However, the Xanthopimpla pedator (F.) (Hymenoptera: Ichneumonidae) is a major pupal endoparasitoid of A. mylitta, which affects the total tasar silk production in India. A gravid female X. pedator parasitizes the pupae of A. mylitta by depositing an egg, which produces a single offspring per host. We studied the development of immature forms of X. pedator by dissecting parasitized pupae of A. mylitta under laboratory conditions at 28-30 degrees C and 40-60\% relative humidity. All immature stages of the parasitoid develop within the host in 20-22 d, by devouring the entire pupal content, resulting in dead or seedless cocoons. The total life cycle of X. pedator is completed inside the host pupa and the adult emerges out by rupturing the peduncle end of the cocoon. During development of X. pedator, five preimaginal stages, viz., egg, larval instars, prepupa, pupa, and a pharate adult, were observed. Xanthopimpla pedator passes through five larval instars identified by structural and morphometric variations. These include primary larva (L1), the intermediate larvae (L2-L4), and the finalinstar larva (L5). Biometric study and larval head width permitted the morphological separation of all five larval instars. In the present study, the biology and development of X. pedator inside the pupa of A. mylitta are reported for the first time with detailed photomicrographs. Therefore, the study may enable the information concerning physiological interactions between A. mylitta and its endoparasitoid, X. pedator.}, doi = {10.1093/aesa/sax049}, author = {Gathalkar, Ganesh B. and Barsagade, Deepak D. and Sen, Avalokiteswar} } @article {43851, title = {Biomimetic total synthesis of angiopterlactone B and other potential natural products}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {JUL}, pages = {3564-3567}, type = {Article}, abstract = {A one-pot biomimetic synthesis of (-)-angiopterlactone B and its enantiomer (+)-angiopterlactone B has been accomplished via TBAF-catalyzed tandem ring contraction followed by oxa-Michael/Michael addition sequence. Comparison of specific optical rotations, absolute configurations, and CD spectra of natural, synthesized (-)-angiopterlactone B and (+)-angiopterlactone B unequivocally proves that the isolated angiopterlactone B must be levorotatory. Synthesis of hitherto undiscovered natural products 18 and 20 and analogues of angiopterlactone B demonstrate the versatility of this method.}, doi = {10.1021/acs.orglett.7b01525}, author = {Kotammagari, Tharun K. and Gonnade, Rajesh G. and Bhattacharya, Asish K.} } @article {43507, title = {Biotransformation of penicillin V to 6-aminopenicillanic acid using immobilized whole cells of E. coli expressing a highly active penicillin V acylase}, journal = {Preparative Biochemistry \& Biotechnology}, volume = {47}, year = {2017}, month = {JAN}, pages = {52-57}, abstract = {The production of 6-aminopenicillanic acid (6-APA) is a key step in the manufacture of semisynthetic antibiotics in the pharmaceutical industry. The penicillin G acylase from Escherichia coli has long been utilized for this purpose. However, the use of penicillin V acylases (PVA) presents some advantages including better stability and higher conversion rates. The industrial application of PVAs has so far been limited due to the nonavailability of suitable bacterial strains and cost issues. In this study, whole-cell immobilization of a recombinant PVA enzyme from Pectobacterium atrosepticum expressed in E. coli was performed. Membrane permeabilization with detergent was used to enhance the cell-bound PVA activity, and the cells were encapsulated in calcium alginate beads and cross-linked with glutaraldehyde. Optimization of parameters for the biotransformation by immobilized cells showed that full conversion of pen V to 6-APA could be achieved within 1 hr at pH 5.0 and 35 degrees C, till 4\% (w/v) concentration of the substrate. The beads could be stored for 28 days at 4 degrees C with minimal loss in activity and were reusable up to 10 cycles with 1-hr hardening in CaCl2 between each cycle. The high enzyme productivity of the PVA enzyme system makes a promising case for its application for 6-APA production in the industry.}, doi = {10.1080/10826068.2016.1163580}, author = {Avinash, Vellore Sunder and Chauhan, Palna Dinesh and Gaikwad, Shraddha and Pundle, Archana} } @article {43967, title = {Can fungi compete with marine sources for chitosan production?}, journal = {International Journal of Biological Macromolecules}, volume = {104}, year = {2017}, month = {NOV}, pages = {1415-1421}, type = {Journal Article}, abstract = {

Chitosan, a β-1,4-linked glucosamine polymer is formed by deacetylation of chitin. It has a wide range of applications from agriculture to human health care products. Chitosan is commercially produced from shellfish, shrimp waste, crab and lobster processing using strong alkalis at high temperatures for long time periods. The production of chitin and chitosan from fungal sources has gained increased attention in recent years due to potential advantages in terms of homogenous polymer length, high degree of deacetylation and solubility over the current marine source. Zygomycetous fungi such as Absidia coerulea, Benjaminiella poitrasii, Cunninghamella elegans, Gongrenella butleri, Mucor rouxii, Mucor racemosus and Rhizopus oryzae have been studied extensively. Isolation of chitosan are reported from few edible basidiomycetous fungi like Agaricus bisporus, Lentinula edodes and Pleurotus sajor-caju. Other organisms from mycotech industries explored for chitosan production are Aspergillus niger, Penicillium chrysogenum, Saccharomyces cerevisiae and other wine yeasts. Number of aspects such as value addition to the existing applications of fungi, utilization of waste from agriculture sector, and issues and challenges for the production of fungal chitosan to compete with existing sources, metabolic engineering and novel applications have been discussed to adjudge the potential of fungal sources for commercial chitosan production.

}, keywords = {Cell wall, Chitin/chitosan, Waste Mycelial Biomass, Zygomycetous Fungi}, doi = {10.1016/j.ijbiomac.2017.01.112}, author = {Ghormade, V.}, editor = {Pathan, E.K.} } @article {43852, title = {Cascade energy transfer and tunable emission from nanosheet hybrids: locating acceptor molecules through chiral doping}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUL}, pages = {7072-7075}, type = {Article}, abstract = {Light harvesting donor-acceptor assemblies are indispensable to efficiently tap photons. In an attempt to improve the light harvesting efficiency of an acceptor doped assembly, we design and synthesize a donor-acceptor-donor triad which exhibits an exceptional intramolecular energy transfer with excellent efficiency. Moreover, a facile cascade energy transfer (energy funnelling) is observed in the presence of a series of second acceptors (63-91\% efficiency) with tunable emission colours. Self-assembled nanosheets formed by the triad in the presence of acceptors exhibit cascade energy transfer assisted tunable emission. In addition, use of chiral acceptors induces chirality to the triad and results in the formation of chiral nanosheets alongwith cascade energy transfer. Here chiral induction, nanosheet formation and cascade energy transfer in the presence of chiral acceptors are used as tools to probe the intercalation of acceptor molecules in the donor scaffold.}, doi = {10.1039/c7cc02994b}, author = {Goudappagouda and Wakchaure, Vivek Chandrakant and Ranjeesh, Kayaramkodath Chandran and Abhai, Chalona Antony Ralph and Babu, Sukumaran Santhosh} } @article {43359, title = {Catalytic enantioselective aza-piancatelli rearrangement}, journal = {Synlett}, volume = {28}, year = {2017}, month = {JUN}, pages = {1096-1100}, type = {Article}, abstract = {The design and development of an enantioselective aza-Piancatelli rearrangement reaction are described. In the presence of a chiral phosphoric acid catalyst, furylcarbinols react with anilines to afford highly functionalized cyclopentenones with excellent diastereo-and enantioselectivities. The process was shown to be scalable, and up to 1 gram of starting material could be employed under mild reaction conditions.}, doi = {10.1055/s-0036-1558952}, author = {Gade, Amol B. and Patil, Nitin T.} } @article {43560, title = {Catalytic macroporous biohydrogels made of ferritin-encapsulated gold nanoparticles}, journal = {Chempluschem}, volume = {82}, year = {2017}, month = {FEB}, pages = {225-232}, abstract = {Reported is a modular approach for the incorporation and stabilization of gold nanoparticles inside a three-dimensional macroporous hydrogel made of ferritin. The strategy, which involves the dynamic templating of surfactant H-1 domains, demineralization, and remineralization helps to overcome aggregation and degradation issues usually associated with bare-metal-based nanocatalysts. The catalytic activity of the so-synthesized bionanocomposite hydrogel was demonstrated in both nitroaldol (Henry) and nitroreduction model reactions in aqueous solution at room temperature. An interesting synergistic effect between basic residues of the protein and the gold nanoparticles was found in the nitroaldol reaction when carried out in water in the presence of a phase-transfer catalyst. Furthermore, the reduction of 4-nitrophenol and 4-nitroaniline catalyzed by the nanocomposite scaffold in the presence of NaBH4 proceeded significantly faster than that using other known Au- and Ag-based catalysts under similar conditions.}, doi = {10.1002/cplu.201600454}, author = {Kumari, Sushma and Haring, Marleen and Sen Gupta, Sayam and Diaz, David Diaz} } @article {43649, title = {Catalytic ozonation of clofibric acid over copper-based catalysts: in situ ATR-IR studies}, journal = {Applied Catalysis B-Environmental}, volume = {209}, year = {2017}, month = {JUL}, pages = {523-529}, abstract = {The current study describes the catalytic ozonation of clofibric acid (CFA) under ambient conditions using copper oxide catalysts synthesized by different methods. The objective of this study is to provide novel catalysts and reaction mechanism for the degradation of emerging pharmaceutical compounds in aqueous solution. Among the various Cu catalysts screened in this study, the Cut-Ali oxide catalyst showed an excellent activity and stability in the degradation and mineralization of CFA. In situ attenuated total reflection IR (ATR-IR) spectroscopy was used to examine the interaction of ozone with the active sites of the catalyst in presence of water and to investigate the possible catalytic mechanism. The presence of Lewis acid sites in the Cut-Ali catalyst increased the amount of chemisorbed water enhancing stronger interaction of ozone to form surface activated species, resulting in higher catalytic activity. The results obtained from in-situ ATR-IR study indicate that surface hydroxyl groups and Lewis acid sites are responsible for promoting the generation of hydroxyl radicals (OHS) from aqueous ozone. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apcatb.2017.02.071}, author = {Sable, Shailesh S. and Ghute, P. P. and Fakhrnasova, D. and Mane, R. B. and Rode, Chandrashekhar V. and Medina, F. and Contreras, S.} } @article {45718, title = {Cell culture processes for biopharmaceutical manufacturing}, journal = {Current Science}, volume = {112}, year = {2017}, month = {APR }, pages = {1478-1488}, type = {Article}, abstract = {

Recombinant proteins manufactured using animal cell culture processes comprise a significant fraction of biopharmaceuticals. With the expiry of patents on this class of therapeutics, there is also a significant interest in manufacture of biosimilar versions of such therapeutics. This article provides a birds-eye view of upstream process development for animal cell culture processes, with a focus on advances pertinent to the development of processes for biosimilars.

}, keywords = {Biopharmaceutical, Cell line development, CHO, glycosylation, monoclonal antibody}, issn = {0011-3891}, doi = {10.18520/cs/v112/i07/1478-1488}, author = {Gadgil, Mugdha} } @article {44148, title = {Cerium-based metal-organic framework having inherent oxidase-like activity applicable for colorimetric sensing of biothiols and aerobic oxidation of thiols}, journal = {Crystengcomm}, volume = {19}, year = {2017}, month = {OCT}, pages = {5915-5925}, type = {Article}, abstract = {A cerium-basedmetal-organic framework (MOF; 1) with a UiO-66 (UiO: University of Oslo) framework topology was synthesized solvothermally by employing 3,4-dimethylthieno[2,3-b] thiophene-2,5-dicarboxylic acid as a ligand. The MOF was thoroughly characterized by X-ray photoelectron spectroscopy (XPS), X-ray powder diffraction, infrared spectroscopy, and thermogravimetric and N-2 sorption analyses. The activated material (1{\textquoteright}) retained its structural integrity in water, acetic acid and 1 M HCl solution. XPS investigation reveals the presence of both Ce(III) and Ce(IV) ions in 1. Owing to the presence of mixed-valence cerium ions, 1{\textquoteright} was able to oxidize the chromogenic peroxidase substrate 3,3{\textquoteright}, 5,5{\textquoteright}-tetramethylbenzidine (TMB) or 2,2{\textquoteright}azinobis.3- ethylbenzothizoline-6-sulfonic acid) (AzBTS) in the absence of an external oxidizing agent. Thus, it showed inherent oxidase-like catalytic properties. Inspired by the excellent oxidase-mimicking activity of 1{\textquoteright}, a protocol was developed for the rapid colorimetric sensing of biothiols in NaAc buffer (0.2 M, pH = 4). The sensing ability of 1{\textquoteright} towards cysteine was also demonstrated in human blood plasma. Furthermore, the redox-active cerium ions enabled 1{\textquoteright} to exhibit excellent heterogeneous catalytic performance in aerobic oxidation catalysis of thiol compounds. The material is reusable (both as a sensor and as a catalyst), lowcost and highly stable, which renders it a promising candidate for the monitoring of biothiols in immunoassays and medical diagnosis as well as for industrial oxidation catalysis.}, doi = {10.1039/c7ce01053b}, author = {Dalapati, Rana and Sakthivel, Balasubramanian and Ghosalya, Manoj K. and Dhakshinamoorthy, Amarajothi and Biswas, Shyam} } @proceedings {44010, title = {CH3NH3PbI3 based solar cell: modified by antisolvent treatment}, volume = {1832}, year = {2017}, month = {MAY}, publisher = {American Institute of Physics Inc.}, chapter = {080065}, address = {KIIT University Bhubaneswar, Odisha; India.}, abstract = {

Solar cells based on new class of organic inorganic hybrid perovskite CH3NH3PbI3 were prepared by Ethyl acetate (EA); antisolvent treatment for the first time. This treatment results in new morphology for CH3NH3PbI3 thin film. FESEM image shows microrod type structures of CH3NH3PbI3 after EA antisolvent treatment. Energy band diagram was constructed using photoluminescence and photoemission studies. A better power conversion efficiency was achieved in EA treated film compare to without EA treated film.

}, keywords = {CH3NH3PbI3, Perovskite solar cell}, issn = {0094-243X}, doi = {10.1063/1.4980525}, author = {Nandi, P. and Giri, C. and Bansode, U. and Topwal, D.} } @article {43809, title = {Chickpea-fusarium oxysporum interaction transcriptome reveals differential modulation of plant defense strategies}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {AUG}, type = {Article}, abstract = {Fusarium wilt is one of the major biotic stresses reducing chickpea productivity. The use of wilt-resistant cultivars is the most appropriate means to combat the disease and secure productivity. As a step towards understanding the molecular basis of wilt resistance in chickpea, we investigated the transcriptomes of wilt-susceptible and wilt-resistant cultivars under both Fusarium oxysporum f.sp. ciceri (Foc) challenged and unchallenged conditions. Transcriptome profiling using LongSAGE provided a valuable insight into the molecular interactions between chickpea and Foc, which revealed several known as well as novel genes with differential or unique expression patterns in chickpea contributing to lignification, hormonal homeostasis, plant defense signaling, ROS homeostasis, R-gene mediated defense, etc. Similarly, several Foc genes characteristically required for survival and growth of the pathogen were expressed only in the susceptible cultivar with null expression of most of these genes in the resistant cultivar. This study provides a rich resource for functional characterization of the genes involved in resistance mechanism and their use in breeding for sustainable wilt-resistance. Additionally, it provides pathogen targets facilitating the development of novel control strategies.}, doi = {10.1038/s41598-017-07114-x}, author = {Upasani, Medha L. and Limaye, Bhakti M. and Gurjar, Gayatri S. and Kasibhatla, Sunitha M. and Joshi, Rajendra R. and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article {44111, title = {Chiral discrimination through h-1 nmr and luminescence spectroscopy: dynamic processes and solid strip for chiral recognition}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {DEC}, pages = {18303-18313}, type = {Article}, abstract = {The appropriate choice of the host molecules with well-defined optical activity (S-H/R-H) helps in the differentiation between two secondary ammonium ion-derivative guest molecules with different optical activities (R-G/S-G) based on the fluorescence resonance energy transfer (FRET)based luminescence responses. Crown ether-based host molecules with opposite chiral configurations (R-H, S-H) have been derived from 1,1{\textquoteright}-bi-2-naphthol (BINOL) derivatives that have axially chiral biaryl centers. These chiral crown ethers form host-guest complexes (i.e., [2] pseudoro-taxanes) with chiral secondary ammonium ion derivatives (R-G, S-G). NMR spectroscopic studies show that the complexes are in a dynamic equilibrium in solution. Results of the H-1 NMR and fluorescence spectroscopic studies indicate a head-on orientation of the host and guest in the [2] pseudorotaxanes. The difference in the efficiency in the FRET-based responses between anthracene and the BINOL derivatives allow efficient chiral discrimination of the guests. Isothermal titration calorimetry and NMR investigations reveal that inclusion complexes between hosts and guests of the same chirality (R-H center dot R-G, S-H center dot S-G) are more stable relative to those of opposite chirality (R-H center dot S-G, S-H center dot R-G). However, FRET-based energy-transfer efficiency is higher for R-H center dot S-G and S-H center dot R-G complexes. NMR spectroscopic studies show that the relative orientation of the guest in the host cavity is significantly different when the host binds a guest of the same or opposite chirality; furthermore, the latter is more favorable for FRET, thus enabling discrimination between enantiomers. Interestingly, chiral discrimination of guest ions could also be achieved by using silica surfaces modified with chiral host molecules.}, doi = {10.1002/chem.201704837}, author = {Gangopadhyay, Monalisa and Maity, Arunava and Dey, Ananta and Rajamohanan, P. R. and Ravindranathan, Sapna and Das, Amitava} } @article {43952, title = {CHO Cells Adapted to Inorganic Phosphate Limitation Show Higher Growth and Higher Pyruvate Carboxylase Flux in Phosphate Replete Conditions}, journal = {Biotechnology progress}, volume = {33}, year = {2017}, month = {MAY}, pages = {749-758}, type = {Article}, abstract = {Inorganic phosphate (P-i) is an essential ion involved in diverse cellular processes including metabolism. Changes in cellular metabolism upon long term adaptation to P-i limitation have been reported in E. coli. Given the essential role of P-i, adaptation to P-i limitation may also result in metabolic changes in animal cells. In this study, we have adapted CHO cells producing recombinant IgG to limiting P-i conditions for 75 days. Not surprisingly, adapted cells showed better survival under P-i limitation. Here, we report the finding that such cells also showed better growth characteristics compared to control in batch culture replete with P-i ( higher peak density and integral viable cell density), accompanied by a lower specific oxygen uptake rate and cytochrome oxidase activity towards the end of exponential phase. Surprisingly, the adapted cells grew to a lower peak density under glucose limitation. This suggests long term P-i limitation may lead to selection for an altered metabolism with higher dependence on glucose availability for biomass assimilation compared to control. Steady state U-C-13 glucose labeling experiments suggest that adapted cells have a higher pyruvate carboxylase flux. Consistent with this observation, supplementation with aspartate abolished the peak density difference whereas supplementation with serine did not abolish the difference. This supports the hypothesis that cell growth in the adapted culture might be higher due to a higher pyruvate carboxylase flux. Decreased fitness under carbon limitation and mutations in the sucABCD operon has been previously reported in E. coli upon long term adaptation to P-i limitation, suggestive of a similarity in cellular response among such diverse species. (C) 2017 American Institute of Chemical Engineers}, doi = {10.1002/btpr.2450}, author = {Maralingannavar, Vishwanathgouda; and Parmar, Dharmeshkumar and Pant, Tejal and Gadgil, Chetan and Panchagnula, Venkateswarlu and Gadgil, Mugdha} } @article {43376, title = {Clickable polyurethanes based on s- triazine ring containing aromatic diisocyanate bearing pendent alkyne group: synthesis and postmodification}, journal = {Journal of Polymer Science Part A Polymer Chemistry}, volume = {55}, year = {2017}, month = {MAR}, pages = {1008-1020}, type = {Article}, abstract = {A new s-triazine ring containing aromatic diisocyanate bearing a pendent alkyne group, namely, 2,4-bis(4-isocyanatophenoxy)-6-(prop-2-yn-1-yloxy)-1,3,5-triazine was synthesized and reacted with various diols viz., 1,10-decanediol, tetraethylene glycol and polyethylene glycols in the presence of dibutyltin dilaurate as the catalyst to obtain a series of linear polyurethanes. The selected polyurethanes possessing pendent alkyne groups were postmodified with chemically diverse azides viz., 1-(azidomethyl)benzene, 1-(azidomethyl)pyrene, and methoxy end-caped poly(ethylene glycol) azide via copper-catalysed azide-alkyne Huisgen 1,3-dipolar cycloaddition. FTIR and 1H NMR spectra indicated quantitative click reaction. UV{\textendash}vis and fluorescence spectroscopic analysis confirmed complete incorporation of pyrenyl groups indicating the formation of fluorescence active polyurethane by postmodification with 1-(azidomethyl)pyrene. TG analysis of polyurethanes indicated two stage weight loss and their thermal stability, as judged by T10 values, was governed by weight percent of urethane linkages. The water contact angle measurements revealed improved wettability with increased content of PEG either in the backbone of polyurethanes or as grafted chains. DLS and TEM studies confirmed that certain polyurethanes possessing PEG segments displayed self-assembly in aqueous solution, which was further supported by pyrene encapsulation studies using UV{\textendash}vis spectroscopy. {\textcopyright} 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 1008{\textendash}1020}, keywords = {Click chemistry, Diisocynate, Polyethelene Glycol, polyurethanes, Self- Assembly}, doi = {10.1002/pola.28461}, author = {Garg, Kavita and Chatterjee, Deepshikha and Wadgaonkar, Prakash} } @article {44173, title = {Clues from crystal structures pave the way to access chiral myo-inositol derived versatile synthons: resolution of racemic 4-o-allyl-myo-inositol-1,3,5-orthoesters via corresponding dicamphanates by crystallization}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {OCT}, pages = {5432-5440}, type = {Article}, abstract = {Racemic 4-O-allyl-myo-inositol-1,3,5-orthoesters were resolved as the corresponding diastereomeric dicamphanates by crystallization from alcoholic solvents. Crystals of the two diastereomers of myo-inositol orthoacetate and one diastereomer each of myo-inositol orthoformate and myo-inositol orthobenzoate were obtained in \>99\% purity, on gram scale. The configuration of all these diastereomers was established by conversion to known chiral myo-inositol derivatives as well as by single crystal structure analysis. It is interesting to note that the procedures for the separation of diastereomeric myo-inositol orthoesters could be evolved due to the knowledge of crystal growth and crystal structures of inositol derivatives of comparable molecular structures. Due to the synthetic versatility of myo-inositol orthoesters, the methods described provide rapid and convenient access to a variety of chiral inositol derivatives with high synthetic potential.}, issn = {1528-7483}, doi = {10.1021/acs.cgd.7b00895}, author = {Patil, Nivedita T. and Shashidhar, Mysore S. and Tamboli, Majid I. and Gonnade, Rajesh G.} } @article {43541, title = {Colossal photo-conductive gain in low temperature processed TiO2 films and their application in quantum dot solar cells}, journal = {Applied Physics Letters}, volume = {110}, year = {2017}, month = {MAR}, pages = {Article Number: 123902}, abstract = {Colloidal quantum dot (QD) solar cells have seen remarkable progress in recent past to reach the certified efficiency of 10.6\%. Anatase titanium oxide (TiO2) is a widely studied n-type widow layer for the collection of photogenerated electrons in QD solar cells. Requirement of high temperature (similar to 500 degrees C) processing steps proved to be disadvantageous for its applications in flexible solar cells and roll to roll processing, and it also has adverse commercial implications. Here, we report that solar light exposure to low temperature processed (80 degrees C-150 degrees C) TiO2 and niobium doped TiO2 films leads to unprecedented enhancement in their electron densities and electron mobilities, which enables them to be used as efficient n-type layers in quantum dot solar cells. Such photoinduced high conducting states in these films show gradual decay over hours after the light bias is taken off and can be retrieved under solar illumination. On the contrary, TiO2 films processed at 500 degrees C show marginal photo induced enhancements in their characteristics. In bilayer configuration with PbS QDs, photovoltaic devices based on low temperature processed TiO2 films show improved performance over high temperature processed TiO2 films. The stability of photovoltaic devices also improved in low temperature processed TiO2 films under ambient working conditions. Published by AIP Publishing.}, doi = {10.1063/1.4978766}, author = {Mandal, Debranjan and Goswami, Prasenjit N. and Rath, Arup K.} } @article {43812, title = {Comparative analysis of extractive and pressure swing distillation for separation of THF-water separation}, journal = {Computers \& Chemical Engineering}, volume = {103}, year = {2017}, month = {AUG}, pages = {188-200}, type = {Article}, abstract = {In the present work, extractive and pressure-swing distillation methods are analyzed in detail through steady state ASPEN Plus simulations to propose the most economic method for separation of equimolar mixture of THF-Water. Various solvents were evaluated and DMSO was identified as the most appropriate solvent, as it gave minimum Total Annual Cost (TAC) for desired purity. In case of pressure swing distillation, various pressure ranges were explored to achieve minimum TAC. Configurations for extractive and pressure swing distillation with heat integration were also worked out. The optimum designs of extractive and pressure swing distillation with and without heat integration were compared on a common basis of feed conditions and purity constraints. Results indicate that TAC of extractive distillation with heat integration is 5.2\% less than that of PSD with partial heat integration. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.compchemeng.2017.03.019}, author = {Ghuge, Pravin D. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {45667, title = {Compositional dependence of electrical conduction in solution grown Zn1-xCrxSe thin films: a correlation}, journal = {Journal of Materials Science: Materials in Electronics}, volume = {28 }, year = {2017}, month = {MAR}, pages = {5070-5074}, type = {Article}, abstract = {Zinc selenide (ZnSe) has a typical band gap of 2.7 eV suitable for window application and can easily be synthesized using a liquid phase chemical bath deposition. An attempt is made to tune its band gap and other characteristics to cope with a maxima of the solar spectrum by deliberate addition of Cr3+. ZnSe and Zn1-xCrxSe (0 <= x <= 0.35) thin films were obtained under the controlled deposition conditions (temperature = 70 A degrees C, time = 210 min, pH = 10, etc). The compositional analysis showed Zn2+ replacement by Cr3+. The X-ray photoelectron spectroscopy revealed chemical states of the constituents Zn, Cr and Se as 2(+), 3(+) and 2(-) respectively. The electrical conductivity and thermo-power measurements in the 300-550 K temperature range showed semiconducting nature of the material and that the electrical conduction is of the n-type. The electrical conductivity is found to be increased continuously up to x = 0.05 and then decreased for further increase in x. The Hall-probe measurements also confirmed n-type conduction. The average Hall coefficient for pure ZnSe is -1.03 x 10(7) cm(3)/C whereas, it is -4.55 x 10(6) cm(3)/C for a sample with x = 0.35.}, doi = {10.1007/s10854-016-6144-3}, author = {Deshmukh, S. L. and Pingale, P. C. and Chavan, G. T. and Pawar, S. T. and Prakshale, V. M. and Kamble, S. S. and Jadkar, S. R. and Chaure, N. B. and Gopinath, C. S. and Maldar, N. N. and Deshmukh, L. P.} } @article {45799, title = {Computational intelligence based models for prediction of elemental composition of solid biomass fuels from proximate analysis}, journal = {International Journal of Systems Assurance Engineering and Management}, volume = {8}, year = {2017}, month = {DEC}, pages = {2083-2096}, type = {Article}, abstract = {Biomass is a renewable and sustainable source of {\textquotedblleft}green{\textquotedblright} energy. The elemental composition comprising carbon (C), hydrogen (H) and oxygen (O) as major components, is an important measure of the biomass fuel{\textquoteright}s energy content. Its knowledge is also valuable in: (a) computing material balance in a biomass-based process, (b) designing and operating biomass utilizing efficient and clean combustors, gasifiers and boilers, (c) fixing the quantity of oxidants required for biomass combustion/gasification, and (d) determining the volume and composition of the combustion/gasification gases. Obtaining the elemental composition of a biomass fuel via ultimateanalysis is an expensive and time-consuming task. In comparison, proximate analysis that determines fixed carbon, ash, volatile matter and moisture content is a cruder characterization of the fuel and easier to perform. Thus, there exists a need for models possessing high accuracies for predicting the elemental composition of a solid biomass fuel from its proximate analysis constituents. Accordingly, this study utilizes three computational intelligence (CI) formalisms, namely, genetic programming, artificial neural networks and support vector regression, for developing nonlinear models for the prediction of C, H and O fractions of solid biomass fuels. A large database of 830 biomasses has been used in the stated model development. A comparison of the prediction accuracy and generalization performance of the nine CI-based models (three each for C, H and O) with that of the currently available linear models indicates that the CI-based models have consistently and significantly outperformed their linear counterparts. The models developed in this study have proved to be the best models for the prediction of elemental composition of solid biomass fuels from their proximate analyses. }, issn = {09756809}, doi = {10.1007/s13198-014-0324-4}, author = {Ghugare, S.B. and Tiwary, S. and Tambe, S.S.} } @article {43931, title = {Computational strategies to explore antimalarial thiazine alkaloid lead compounds based on an australian marine sponge plakortis lita}, journal = {Journal of biomolecular Structure \& Dynamics}, volume = {35}, year = {2017}, month = {AUG}, pages = {2407-2429}, type = {Article}, abstract = {In this work, an attempt was made to propose new leads based on the natural scaffold Thiaplakortone-A active against malaria. The 2D QSAR studies suggested that three descriptors correlate with the anti-malarial activity with an R2 value of 0.814. Robustness, reliability and predictive power of the model were tested by internal validation, external validation, Y-scrambling and Applicability domain analysis. HQSAR studies were carried out as an additional tool to find the sub-structural fingerprints. The CoMFA and CoMSIA models gave Q2 values of 0.813 and 0.647, and R2ncv values of 0.994 and 0.984, respectively. Using the 2D-QSAR equation, the activity values of the seven modified compounds were calculated and it was found that three molecules showed good anti-malarial activity. Molecular docking of the 42 Thiaplakortone-A derivatives with P. falciparum calcium-dependent protein kinase 1 (PfCDPK1) was carried out to find out protein-ligand interactions. Data mining of the bioassay dataset AID: 504850 using the classifier based on Random Forest (RF) of Weka suggested that all of the eight molecules selected and three out of the seven virtual molecules were anti-malarial active. Both the virtual molecules and drug molecules were docked with CYP3A4, indicating that the virtual molecules could metabolize easily. Toxicity studies using Osiris shows that three molecules showed no toxic characters.}, doi = {10.1080/07391102.2016.1220870}, author = {Lilly, Aswathy and Jisha, R. S. and Masand, Vijay H. and Gajbhiye, Jayant M. and Shibi, Indira G.} } @article {45744, title = {Concurrent synthesis of SnO/SnO2 nanocomposites and their enhanced photocatalytic activity}, journal = {Journal of Solid State Electrochemistry}, volume = {21}, year = {2017}, month = {JAN}, pages = {9-17}, type = {Article}, abstract = {

The SnO/SnO2 nanocomposites were synthesized using semisolvothermal reaction technique. These nanocomposites were prepared using different combination of solvents viz., ethanol, water, and ethylene glycol at 180 A degrees C for 24 h. The synthesized nanocomposites were analyzed with various characterization techniques. Structural analysis indicates the formation of tetragonal phase of SnO2 for the sample prepared in ethanol, whereas for other solvent combinations, the mixture of SnO and SnO2 having tetragonal crystal structures were observed. The optical study shows enhanced absorbance in the visible region for all the prepared SnO/SnO2 nanocomposites. The observed band gap was found to be in the range of 3.0 to 3.25 eV. Microstructural determinations confirm the formation of nanostructures having spherical as well as rod-like morphology. The size of nanoparticles in ethanol-mediated solvent was found to be in the range of 5 to 7 nm. Thermogravimetric analysis indicate the weight gain around 1.3 wt\% confirming the conversion of SnO to SnO2 material. The photocatalytic activity of synthesized nanocomposites was evaluated by following the aqueous methylene blue (MB) degradation. The sample prepared in ethylene glycol-mediated solvent showed highest photoactivity having apparent rate constant (K-app) 0.62 x 10(-2) min(-1).

}, keywords = {Dye-degradation, Nanocomposite, Photocatalysis, tin oxide}, issn = {1432-8488}, doi = {10.1007/s10008-016-3328-y}, author = {Roy, Animesh and Arbuj, Sudhir and Waghadkar, Yogesh and Shinde, Manish and Umarji, Govind and Rane, Sunit and Patil, Kashinath and Gosavi, Suresh and Chauhan, Ratna} } @article {43519, title = {Conformational and functional transitions and in silico analysis of a serine protease from conidiobolus brefeldianus (MTCC 5185)}, journal = {International Journal of Biological Macromolecules}, volume = {98}, year = {2017}, month = {MAY}, pages = {387-397}, abstract = {This work describes functional and structural transitions of a novel protease isolated from Conidiobolus brefeldianus MTCC 5185 (Cprot), in detail using biophysical and bioinformatics tools. The commercial importance of Cprot in silk and leather industries made it an interesting candidate for structural investigations. Cprot possesses 8.2\%alpha-helix, 31.1\% beta-sheet and 23.8\% turns. The enzyme was found to be active over a wide pH range and up to 55 degrees C. The protease was also stable in organic solvents up to 50\% (v/v) concentration of alcohols and DMSO for >24 h and in 2 M guanidine hydrochloride for >12 h. Cprot was also resistant to trypsin, chymotrypsin, proteinase K and fluorinated alcohols (5-10\%). The melting temperatures observed for the native Cprot and for the enzyme treated under various stress conditions correlated well with the corresponding structural and functional transitions obtained. The structural information was supported by the homology model of its closest homologue from C. coronatus; revealing its similarity to PA clan of proteases (Proteases of mixed nucleophile, superfamily A), with His-64, Asp-113 and Ser-208 as putative catalytic triad. Three tryptophan residues in Cprot are surrounded by positively charged residues, as evident from solute quenching studies and homology model. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.ijbiomac.2017.01.124}, author = {Shukla, Ekta and Agrawal, Sanskruthi B. and Gaikwad, Sushama M.} } @inbook {43953, title = {Conformational dynamics of intracellular tau protein revealed by cd and saxs}, booktitle = {Methods in Molecular Biology}, volume = {1523}, year = {2017}, pages = {3-20}, chapter = {Conformational dynamics of intracellular tau protein revealed by CD and SAXS}, abstract = {

A native conformation of a protein is essential for its biological role. In certain conditions, some proteins show non-native conformations, leading to aggregation, which in turn may produce severe pathologies. Such physiological conditions are classified as protein misfolding diseases. Alzheimer{\textquoteright}s disease (AD) is the most common form of dementia. Extracellular senile plaques formed by Amyloid β and intracellular aggregates formed by microtubule-associated protein Tau (MAPT) are the hallmarks of AD. Physiological role of MAPT is to maintain the integrity and stability of microtubules, however it tends to self-aggregate forming intracellular paired helical filaments (PHFs) during AD. MAPT is also subjected to various post-translational modifications such as phosphorylation, glycosylation, truncation, and acetylation. Being natively unfolded, MAPT is prone to full characterization at atomic level. Small-angle X-ray scattering (SAXS) is often applied in combination with other biophysical methods, like nuclear magnetic resonance (NMR), circular dichroism (CD), fluorescence spectroscopy, analytical ultracentrifugation (AUC), or dynamic light scattering (DLS) to characterize natively unfolded systems. Here we describe the practical aspects of MAPT characterization by SAXS and CD in detail as well as outline the inferred structural and functional implications.

}, doi = {10.1007/978-1-4939-6598-4_1}, author = {Gorantla, vijay nalini and Alexander, V. Shkumatov and Chinnathambi, Subashchandrabose} } @article {43899, title = {Copper Cobalt Sulfide Nanosheets Realizing a Promising Electrocatalytic Oxygen Evolution Reaction}, journal = {ACS Catalysis}, volume = {7}, year = {2017}, month = {SEP}, chapter = {5871-5879}, abstract = {

Nanostructured CuCo2S4, a mixed metal thiospinel, is found to be a benchmark electrocatalyst for oxygen evolution reaction (OER) in this study with a low overpotential, a low Tafel slope, a high durability, and a high turnover frequency (TOF) at lower mass loadings. Nanosheets of CuCo2S4 are realized from a hydrothermal synthesis method in which the average thickness of the sheets is found to be in the range of 815 nm. Aggregated nanosheets form a highly open hierarchical structure. When used as an electrocatalyst, CuCo2S4 nanosheets offer an overpotential value of 310 mV at a 10 mA cm(2) current density, which remains consistent for 10000 measured cycles in a 1 M KOH electrolyte. A chronoamperometric study reveals constant oxygen evolution for 12 h at a 10 mV s(-1) scan rate without any degradation of the activity. Furthermore, the calculated mass activity of the CuCo2S4 electrocatalyst is found to be 14.29 A/g and to afford a TOF value of 0.1431 s(-1) at 310 mV at a mass loading of 0.7 mg cm(-2). For comparison, nanostructures of Co3S4 and Cu0.5Co2.5S4 have been synthesized using a similar method followed for CuCo2S4. When compared to the OER activities among these three thiospinels and standard IrO2, CuCo2S4 nanosheets offered the highest OER activities at the same mass loading (0.7 mg/cm(-2)). Extensive X-ray photoelectron spectroscopy and electron paramagnetic resonance analyses for a mechanistic study reveal that introduction of Cu into the Co3S4 lattice enhances the oxygen evolution and kinetics by offering Cu2+ sites for utilitarian adsorption of OH, O, and OOH reactive species and also by offering a highly active high-spin state of octahedral Co3+ for OER catalysis.

}, keywords = {Bifunctional Electrocatalyst, Catalyst, Cuco2s4, Efficient Electrocatalyst, electrocatalyst, Electronic-structure, Nanoparticles, Nanosheet, oxide, oxygen evolution, performance, Recent Progress, Water oxidation, Water Splitting Hydrogen Evolution}, doi = { 10.1021/acscatal.7b01831}, author = {Chauhan, Meenakshi and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {43880, title = {Coumarin-appended stable fluorescent self-complementary quadruple-hydrogen-bonded molecular duplexes}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUN}, pages = {6403-6408}, type = {Article}, abstract = {In this paper we report a coumarin-conjugated self-assembling system adorned with valuable features such as high duplex stability and a built-in fluorophore, which would augment its application potential. This system forms a highly :stalik molecular duplex in a nonpolar solvent (K-dim > 1.9 X 10(7) M-1 in CDCl3). Due to the fluorescent property of coumarin, these new structural motifs may find potential application in material chemistry and supramolecular chemistry.}, doi = {10.1021/acs.joc.7b01249}, author = {Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Shinde, Dinesh R. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {45768, title = {Crystallisation-enhanced bulk hole mobility in phenothiazine-based organic semiconductors}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {APR }, pages = {46268}, type = {Article}, abstract = {

A series of three novel donor-acceptor systems based on C(3)-malononitrile-substituted phenothiazines was synthesised in good overall yields and their thermal, spectroscopic, and electrochemical properties were characterised. The compounds were prepared through a sequence of Ullmann-coupling, Vilsmeier-Haack formylation and Knoevenagel-condensation, followed by Suzuki-coupling reactions for introduction of aryl substitutents at C(7) position of the phenothiazine. The introduction of a donor unit at the C(7) position exhibited a weak impact on the optical and electrochemical characteristics of the compounds and led to amorphous films with bulk hole mobilities in the typical range reported for phenothiazines, despite the higher charge delocalisation as attested by computational studies. In contrast, highly ordered films were formed when using the C(7)-unsubstituted 3-malononitrile phenothiazine, exhibiting an outstanding mobility of 1 x 10(-3) cm(2) V-1 s(-1), the highest reported for this class of compounds. Computational conformational analysis of the new phenothizanes suggested that free rotation of the substitutents at the C(7) position suppresses the ordering of the system, thereby hampering suitable packing of the new materials needed for high charge carrier mobility.

}, issn = {2045-2322}, doi = {10.1038/srep46268}, author = {Shinde, D. B. and Salunke, Jagadish K. and Candeias, Nuno R. and Tinti, Francesca and Gazzano, Massimo and Wadgaonkar, P. P. and Priimagi, Arri and Camaioni, Nadia and Vivo, Paola} } @article {44153, title = {Cucurbit[7]uril induced formation of fret-enabled unilamellar lipid vesicles}, journal = {Langmuir}, volume = {33}, year = {2017}, month = {OCT}, pages = {10989-10999}, type = {Article}, abstract = {A unique fluorescence resonance energy transfer (FRET) process is found to be operational in a unilamellar lipid self-assembly in the aqueous phase. A newly synthesized naphthyl based long chain lipid derivative [N-(naphthalene-1-ylmethyl)tetradecane-1-ammonium chloride, 14NA(+)] forms various self-assembled architectures in the aqueous phase. Controlled changes in lipid concentration lead to a transition of the self-assemblies from micelles to vesicles to rods. In the presence of cucurbit[7]uril (CB7), 14NA(+) forms a host-guest [2]pseudorotaxane complex (CB7(sic)14NA(+)) and secondary interactions lead to the formation of a lipid bilayer with hydrophobic pockets situated in between the layers. The change in the structure of 14NA(+) assemblies, interaction with CB7 and formation of supramolecular assemblies of CB7(sic)14NA(+) were examined using light scattering, spectroscopic, and microscopic techniques. Entrapment of a luminescent dye, anthracene within the hydrophobic bilayer of the supramolecular assembly CB7(sic)14NA(+) favors a modified luminescent response due to an efficient FRET process. Further, the FRET process could be controlled by thermal and chemical stimuli that induce transformation of unilamellar vesicles.}, doi = {10.1021/acs.langmuir.7b02777}, author = {Kushwaha, Shilpi and Maity, Arunava and Gangopadhyay, Monalisa and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R. and Das, Amitava} } @article {43955, title = {Demonstrating the role of anchoring functionality in interfacial electron transfer dynamics in newly synthesized BODIPY-TiO2 nanostructure composite}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {MAY}, type = {Article}, abstract = {New Bodipy derivatives (Dye 1 and 2) having catechol or resorcinol functionality for anchoring to the nanostructured (NS) TiO2 surfaces have been synthesized. Extended conjugation at one of the two pyrrole rings at the C3 position has helped us in achieving the desired control in tuning the optical and redox properties of the BODIPY based dye molecules. Relative emission quantum yields (em1 = ~52 {\textpm} 2\% and em2 = 54 {\textpm} 2\%) are found to be much higher in polar aprotic solvent (acetonitrile), while this are found to be substantially lower for dye 1 in polar protic solvent. Steady state optical absorption studies reveal the formation of a strong charge transfer complex between dye 1 and NS-TiO2, while this interaction is much weaker for dye 2. Transient absorption studies have been carried out for 1/NS-TiO2 and 2/NS-TiO2 systems following excitation with a laser source of 400 nm for understanding the charge transfer dynamics. Results of the transient absorption spectral studies helped in elucidating role of anchoring functionality in influencing the dynamics of the interfacial electron transfer and the charge recombination process in ultrafast time scale.}, doi = {10.1039/C7NJ00668C}, author = {Ghosh, Hirendra N. and Das, Amitava and Aute, Sunil and Maity, Partha} } @article {44088, title = {Dendrimeric amide- and carbamate-linked lysine-based efficient molecular transporters}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {DEC}, pages = {9579-9584}, type = {Article}, abstract = {

Amide- and carbamate-linked dendrimeric oligomers are reported as molecular transporters. They effectively complex with pDNA and transport it into cells at an efficiency superior to Lipofectamine, when complexation is carried out by incubation overnight. The carbamate-linked K2C is superior to amide-linked K2A; their pDNA complexes have very low associated cytotoxicity.

}, doi = {10.1039/c7ob02552a}, author = {Yadav, Amit Kumar and Dey, Namit and Chattopadhyay, Sabyasachi and Ganguli, Munia and Fernandes, Moneesha} } @article {43806, title = { Design and development of trivalent aluminum ions induced self healing polyacrylic acid novel hydrogels}, journal = {POLYMER}, volume = {126}, year = {2017}, month = {SEP}, pages = { 196-205}, type = {Journal Article}, chapter = {196-205}, abstract = {

Development of ionically crosslinked superabsorbent polyacrylic acid (PAA) self-healing hydrogels using trivalent aluminum ions was investigated. The PAA hydrogels exhibited excellent self-healing behavior depending on the amount of the aluminum within the matrix. The migration of these ions within the polymer matrix was responsible for the physical crosslinking of the hydrogel and the origin of self healing ability. The PAA-Al hydrogels were insoluble in water and exhibited significantly high degree of swelling (similar to 4000\%). Hydrogel also exhibited good mechanical properties with high level of elongation. Excellent self-healing efficiency was observed under dynamic as well as oscillatory Theological measurements. The presence of Al ions within PAA hydrogel facilitated the self-healing ability because of the ionic interaction in these gels which plays the key role of dynamic reversible sacrificial bonds which reforms upon reversal of the deformative force. (C) 2017 Elsevier Ltd. All rights reserved.

}, keywords = {Aluminum chloride, Behavior, Complex, Composite, crosslinking, Delivery, High-Mechanical Strength, hydrogels, Network, Polyacrylic acid, Polymeric Materials, Self-healing, swelling, Tough; pH}, issn = {0032-3861}, doi = {10.1016/j.polymer.2017.08.045}, author = {Anjum, Sadiya and Gurave, Pramod and Badiger, Manohar V. and Tiwari, Neha and Gupta, Bhuvanesh} } @article {43473, title = {Determination of the absolute configuration of gliomasolide D through total syntheses of the C-17 epimers}, journal = {Journal of Natural Products}, volume = {80}, year = {2017}, month = {FEB}, pages = {560-564}, abstract = {The absolute configuration at C-17, the carbon bearing the distal hydroxy group of the 14-membered natural product gliomasolide D, was assigned as R by comparison of C-13 NMR shifts and specific rotation values of the epimers at C-17. The first total synthesis of gliomasolide D along with its C-17 epimer, regioselective macrocyclization (18 membered vs 14 membered), and regioselective Wacker oxidation are highlights of the present work.}, doi = {10.1021/acs.jnatprod.6b00926}, author = {Seetharamsingh, B. and Ganesh, Routholla and Reddy, D. Srinivasa} } @article {43702, title = {Determination of triazines and triazoles in grapes using atmospheric pressure matrix-assisted laser desorption/ionization high-resolution mass spectrometry}, journal = {Journal of Aoac International}, volume = {100}, year = {2017}, month = {MAY}, pages = {640-646}, type = {Article}, abstract = {A chromatography-free atmospheric pressure matrix-assisted laser desorption/ionization high-resolution mass spectrometry (AP-MALDI HRMS) method is described for the simultaneous and quantitative detection of triazines and triazoles in grapes. The analytes were detected reproducibly with high mass accuracy (mass error within 5 ppm) and further confirmed by collision-induced dissociation fragmentation in tandem MS. The LODs and LOQs for all the analytes were found to be in the nanogram per gram level (15-20 ng/g LOQ). Internal standard normalized high-resolution accurate mass extracted (HR-AM) peak intensities of the detected ions were used to generate the concentration response curves. Linearity (with R-2 values around 0.99) was obtained for these curves within a concentration range of 20-200 ng/g of the individual analytes. The accuracy and precision of the method were further established using QC samples. Validation and performance comparison of the AP-MALDI HRMS method with an existing standard method using LC with :triple quadrupole MS was carried out (evaluating sensitivity, accuracy, precision, and analysis time) using 20 table-grape field samples after QuEChERS extraction.}, doi = {10.5740/jaoacint.17-0047}, author = {Mahale, Vishal and Singh, Ajeet and Phadke, Gayatri S. and Ghanate, Avinash D. and Oulkar, Dasharath P. and Banerjee, Kaushik and Panchagnula, Venkateswarlu} } @article {43567, title = {Development of (quinolinyl)amido-based pincer palladium complexes: a robust and phosphine-free catalyst system for C{\textendash}H arylation of benzothiazoles}, journal = {New Journal of Chemistry}, year = {2017}, month = {MAR}, abstract = {(Quinolinyl)amido-ligated palladium(II) complexes have been synthesized and applied in the catalytic C{\textendash}H bond arylation of benzothiazoles. The tridentate ligand precursors R2N-C(O)CH2-(NH)-C9H6N [(R2NNN8-Q){\textendash}H; R2N = morpholinyl, Me-N-piperazinyl] and the pincer palladium complexes [κN,κN,κN-{R2N-C(O)CH2-(μ-N)-C9H6N}]PdX [(R2NNN8-Q)PdX {R2N = Et2N, morpholinyl, Me-N-piperazinyl; X = OAc or Cl}] were efficiently synthesized, and characterized by various analytical techniques. The iodo derivative (Et2NNN8-Q)PdI was obtained in excellent yield by the treatment of the complex (Et2NNN8-Q)PdCl with KI. The molecular structures of complexes (Et2NNN8-Q)Pd(OAc) (2a), (Et2NNN8-Q)PdCl (3a) and (Et2NNN8-Q)PdI (4a) were elucidated by X-ray crystallography. Complex 3a was found to be the most efficient catalyst for direct C{\textendash}H bond arylation of substituted benzothiazoles with diverse aryl iodides using a mild base, K2CO3. The working catalyst system 3a is highly robust and can be recycled and reused several times for the arylation of benzothiazole without loss of catalytic activity. Preliminary mechanistic investigations using controlled studies and kinetic analysis have been performed, which greatly support a molecular mechanism for the arylation.}, doi = {10.1039/C7NJ00452D}, author = {Pandiri, Hanumanprasad and Soni, Vineeta and Gonnade, Rajesh G. and Punji, Benudhar} } @article {44134, title = { Differential accumulation of vimentin fragments in preeclamptic placenta}, journal = {Cytoskeleton}, volume = {74}, year = {2017}, month = {NOV}, pages = {420-425}, type = {Article}, abstract = {Preeclampsia is a pregnancy complication that is the result of abnormal placentation because of inadequate trophoblast invasion into spiral arteries that prevent normal blood flow to the placenta. We report the alteration in vimentin protein proteolysis in placenta of normotensive and preeclamptic women, which is known to have a role in many physiological functions other than its major function in the structural integrity of the cell. Placental proteome from normotensive (n=25) and preeclamptic pregnancies (n=25) showed eight differentially accumulated protein spots of vimentin (proteolytic fragments) by two-dimensional electrophoresis. Immunoblots of normotensive and preeclamptic placenta revealed a difference in proteolytic processing of vimentin. In particular, lower molecular weight vimentin fragments of 32 and 20 kDa were 3.3 and 2.6-fold (p<0.0001) higher, respectively, in preeclampsia compared with normotensive placenta.}, doi = {10.1002/cm.21390}, author = {Mary, Sheon and Kulkarni, Mahesh J. and Mehendale, Savita S. and Joshi, Sadhana R. and Giri, Ashok P.} } @article {43906, title = {Direct C-N bond formation in an in situ ligand transformation reaction and formation of polymeric 1D cadmium(II) complexes with end-to-end bridging thiocyanate or selenocyanate ions: Synthesis, structures and theoretical studies}, journal = {Polyhedron}, volume = {133}, year = {2017}, month = {SEP}, pages = {8-15}, type = {Article}, abstract = {

Two new one-dimensional polymeric thiocyanato and selenocyanato bridged cadmium(II) complexes [Cd(dpip)(mu(1,3)-SCN)(2)](n) and [Cd(dpip)(mu(1,3)-SeCN)(2)](n), where dpip = 3,5-dimethy1-14(3-phenylimidazolidin-ly1)-methyl)-1H-pyrazole have been synthesized and characterized by elemental analysis, IR, 1H NMR and single crystal X-ray diffraction studies. The bidentate N-2-coordinated ligand dpip is formed from N-4-coor-dinated tetradentate ligand N,N-bis(3,5-dimethy1-1H-pyrazol-1-yOmethyl-N-2-phenylethane-1,2-diamine (bdpab) due to unusual transformation, removing one pyrazole group and formation of saturated imidazole ring during in situ complexation reaction. The 1D structures of the two complexes have been confirmed by single crystal X-ray diffraction studies and both NCS- and NCSe- act as end -to -end (-1,3) bridging ligands. The coordination environment around the cadmium center in the complexes are CdN4S2 and CdN4Se2, respectively and each cadmium(II) center has distorted octahedral geometry. The distortion in the molecules are due to two unequal Cd-N (organic ligand dpip) bond lengths and small bite angel of the unsymmetrical organic ligand. The DFT calculations performed with cadmium(II) complexes [Cd (dpip)(mu(1,3)-SCN)(2)](n) and [Cd(dpip)(mu(1,3)-SeCN)(2)](n) corroborated the observed crystal structures and the structural parameter were found to be in good agreement in both calculated and X-ray geometries. (C) 2017 Elsevier Ltd. All rights reserved.

}, keywords = {1d Chain, Cd(Ii) Complexes, Cobalt(Ii), coordination polymers, Crystal-structure, Dft Pyrazole Based Ligand, Dinuclear, End-to-end Bridge, Infrared-spectra, Magnetic-properties, Metal, Ncs/Secn Ion, Nickel(Ii), Nitrogen Single Bond}, issn = {0277-5387}, doi = {10.1016/j.poly.2017.05.007}, author = {Sadhu, Mehul H. and Solanki, Ankita and Kundu, T. and Hingu, Vinayak and Ganguly, B. and Kumar, Sujit B.} } @article {43926, title = {Diverse profiles of N-acyl-homoserine lactones in biofilm forming isolates of Cronobacter sakazakii}, journal = {Virulence}, volume = {8}, year = {2017}, month = {OCT}, pages = {275-281}, type = {Article}, abstract = {

The present study investigates the role of quorum sensing (QS) molecules expressed by C. sakazakii in biofilm formation and extracellular polysaccharide expression. The QS signaling was detected using Chromobacterium violaceum 026 and Agrobacterium tumefaciens NTL4(pZLR4) based bioassay. Long chain N-acyl-homoserine lactones (AHLs) with C6- C18 chain length were identified using High Performance Liquid Chromatography and Liquid Chromatography-High Resolution Mass Spectrometry. A higher Specific Biofilm Formation (SBF) index (p \< 0.05) with the presence of genes associated with cellulose biosynthesis (bcsA, bcsC and bcsG) was observed in the strains. AHLs and their mechanisms can serve as novel targets for developing technologies to eradicate and prevent biofilm formation by C. sakazakii.

}, doi = {10.1080/21505594.2016.1226713}, author = {Singh, Niharika and Patil, Amrita and Prabhune, Asmita Ashutosh and Raghav, Mamta and Goel, Gunjan} } @article {44167, title = {Diverse reactivity trends of Ni surfaces in Au@Ni core-shell nanoparticles probed by near ambient pressure (NAP) XPS}, journal = {Catalysis Science \& Technology}, volume = {7}, year = {2017}, month = {OCT }, pages = {4489-4498}, type = {Article}, abstract = {A mild temperature sequential reduction method in aqueous medium is reported for the synthesis of Au@Ni nanoparticles with a core-shell morphology. The nickel shell thickness with a gold core in the nanostructure can be tuned from 2 nm up to about 10 nm. Near ambient pressure XPS (NAPXPS) studies under oxygen atmosphere show that Au-80@Ni-20 with an extremely thin nickel shell (similar to 2 nm) follows a distinctly different decomposition pathway of metastable Ni(OOH) species compared to those with larger shell thickness which behave more like individual nickel surfaces. Thus, Ni(OOH) on Au-80@Ni-20 decomposes to metallic Ni at 100 degrees C and is found to resist oxidation at 0.1 mbar oxygen at this temperature. Those with a larger nickel shell thickness behave more like monometallic Ni in terms of their decomposition and oxidation properties. The Au@Ni system with an ultra thin metallic nickel overlayer (2 nm) shows high catalytic activity and selectivity for phenylacetylene hydrogenation under mild conditions which outweighs their monometallic counterparts and those with higher nickel shell thickness.}, issn = {2044-4753}, doi = {10.1039/c7cy01070b}, author = {Bharathan, Vysakh A. and Jain, Ruchi and Gopinath, Chinnakonda S. and Vinod, C. P.} } @article {44168, title = {Diversification of quinazolinones by Pd-catalyzed C(sp(3))-acetoxylation}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {OCT}, pages = {10470-10478}, type = {Article}, abstract = {The quinazolinone ring has been exploited as a directing group for C(sp(3))-H functionalization for the first time. The proximal C-gamma(sp3)-H bonds have been oxidized by palladium-catalyzed acetoxylation reaction. Various functional groups on the quinazolinone scaffold were tolerated to provide novel quinazolinone derivatives. The use of base was found to be crucial for the mono selective acetoxylations.}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b01934}, author = {Garad, Dnyaneshwar N. and Mhaske, Santosh B.} } @inbook {45808, title = {Diversity of natural yeast flora of grapes and its significance in wine making}, booktitle = {Yeast Diversity in Human Welfare}, year = {2017}, pages = {1-27}, publisher = {Springer}, organization = {Springer}, address = {New York}, abstract = {The biodiversity of yeasts associated with grapes has been studied in different regions of wine producing countries throughout the world. Most of the species associated with the wine environment are similar, while some species are specifically associated with specific regions. Though Saccharomyces cerevisiae is primarily used for fermentation of grape juice, its occurrence is low on grape berries. Non-Saccharomyces yeasts belonging to the genera Torulaspora, Hanseniaspora, Pichia, Candida, Issatchenkia, Metschnikowia etc. are in abundance in grape musts and may dominate the early stages of fermentation. Subsequently, S. cerevisiae proliferates, becomes dominant and completes the wine fermentation. Therefore, yeasts diversity associated with the grapes and must significantly contribute to the quality and varietal character of wine. In present review, the diversity of yeasts associated with vineyard, winery, succession of yeasts during fermentation and their role in wine quality is discussed. The knowledge will be useful to monitor and control the fermentation with respect to quality and spoilage. }, isbn = {978-9811026201}, doi = {10.1007/978-981-10-2621-8_1}, author = {Deshpande, M.V. and Mane, S.S. and Ghormade, V. and Tupe, S.G.} } @article {43478, title = {Draft genome sequence of lactobacillus plantarum strains E2C2 and E2C5 isolated from human stool culture}, journal = {Standards in Genomic Sciences}, volume = {12}, year = {2017}, month = {JAN}, pages = {Article Number: 15}, abstract = {Probiotic Lactobacillus species offer various health benefits, thus have been employed in treatment and prevention of various diseases. Due to the differences in the isolation source and the site of action, most of the lactobacilli tested in-vitro for probiotics properties fail to extend similar effects in-vivo. Consequently, the search of autochthonous, efficacious and probably population specific probiotics is a high priority in the probiotics research. In this regards, whole genome sequencing of as many Lactobacillus as possible will help to deepen our understanding of biology and their health effects. Here, we provide the genomic insights of two coherent oxalic acid tolerant Lactobacillus species (E2C2 and E2C5) isolated from two different healthy human gut flora. These two isolates were found to have higher tolerance towards oxalic acid (300 mM sodium oxalate). The draft genome of strain E2C2 consists of 3,603,563 bp with 3289 protein-coding genes, 94 RNA genes, and 43.99\% GC content, while E2C5 contained 3,615,168 bp, 3293 coding genes (93.4\% of the total genes), 95 RNA genes and 43.97\% GC content. Based on 16S rRNA gene sequence analysis followed by in silico DNA-DNA hybridization studies, both the strains were identified as Lactobacillus plantarum belonging to family Lactobacillaceae within the phylum Firmicutes. Both the strains were genomically identical, sharing 99.99\% CDS that showed 112 SNPs. Both the strains also exhibited deconjugation activity for the bile salts while genome analysis revealed that the L. plantarum strains E2C2 and E2C5 also have the ability to produce vitamins, biotin, alpha-and beta-glucosidase suggesting potential probiotic activities of the isolates. The description presented here is based on the draft genomes of strains E2C2 and E2C5 which are submitted to GenBank under the accession numbers LSST00000000.1 and LTCD00000000.1, respectively.}, doi = {10.1186/s40793-017-0222-x}, author = {Suryavanshi, Mangesh V. and Paul, Dhiraj and Doijad, Swapnil P. and Bhute, Shrikant S. and Hingamire, Tejashri B. and Gune, Rahul P. and Shouche, Yogesh S.} } @article {44135, title = { Dynamic metabolic reprogramming of steroidal glycol-alkaloid and phenylpropanoid biosynthesis may impart early blight resistance in wild tomato (Solanum arcanum Peralta)}, journal = {Plant Molecular Biology}, volume = {95}, year = {2017}, month = {NOV}, pages = {411-423}, type = {Article}, abstract = {Alternaria solani severely affects tomato (Solanum lycopersicum L.) yield causing early blight (EB) disease in tropical environment. Wild relative, Solanum arcanum Peralta could be a potential source of EB resistance; however, its underlying molecular mechanism largely remains unexplored. Hence, non-targeted metabolomics was applied on resistant and susceptible S. arcanum accessions upon A. solani inoculation to unravel metabolic dynamics during different stages of disease progression. Total 2047 potential metabolite peaks (mass signals) were detected of which 681 and 684 metabolites revealed significant modulation and clear differentiation in resistant and susceptible accessions, respectively. Majority of the EB-triggered metabolic changes were active from steroidal glycol-alkaloid (SGA), lignin and flavonoid biosynthetic pathways. Further, biochemical and gene expression analyses of key enzymes from these pathways positively correlated with phenotypic variation in the S. arcanum accessions indicating their potential role in EB. Additionally, transcription factors regulating lignin biosynthesis were also up-regulated in resistant plants and electrophoretic mobility shift assay revealed sequence-specific binding of rSaWRKY1 with MYB20 promoter. Moreover, transcript accumulation of key genes from phenylpropanoid and SGA pathways along with WRKY and MYB in WRKY1 transgenic tomato lines supported above findings. Overall, this study highlights vital roles of SGAs as phytoalexins and phenylpropanoids along with lignin accumulation unrevealing possible mechanistic basis of EB resistance in wild tomato.}, doi = {10.1007/s11103-017-0660-2}, author = {Shinde, Balkrishna A. and Dholakia, Bhushan B. and Hussain, Khalid and Panda, Sayantan and Meir, Sagit and Rogachev, Ilana and Aharoni, Asaph and Giri, Ashok P. and Kamble, Avinash C.} } @article {45669, title = {Effect of postharvest ethylene treatment on sugar content, glycosidase activity and its gene expression in mango fruit}, journal = {Journal of the Science of Food and Agriculture}, volume = {97 }, year = {2017}, month = {MAR}, pages = {1630-1639}, type = {Article}, abstract = {

BACKGROUND: Ripening-associated softening is one of the important attributes that largely determines the shelf-life of mango (Mangifera indica Linn.) fruits. To reveal the effect of pre-climacteric ethylene treatment on ripening-related softening of Alphonso mango, ethylene treatment was given to mature, raw Alphonso fruits. Changes in the pool of reducing and non-reducing sugars, enzymatic activity of three glycosidases: ss-D-galactosidase, alpha-D-mannosidase and ss-D-glucosidase and their relative transcript abundance were analysed for control and ethylene treated fruits during ripening. RESULTS: Early activity of all the three glycosidases and accelerated accumulation of reducing and non-reducing sugars on ethylene treatment was evident. ss-D-Galactosidase showed the highest activity among three glycosidases in control fruits and marked increase in activity upon ethylene treatment. This was confirmed by the histochemical assay of its activity in control and ethylene treated ripe fruits. Relative transcript abundance revealed high transcript levels of ss-D-galactosidase in control fruits. Ethylene-treated fruits showed early and remarkable increase in the ss-D-galactosidase transcriptswhile alpha-D-mannosidase transcript variants displayed early accumulation. CONCLUSION: Thefindings suggest reduction in the shelf-life of Alphonso mango upon pre-climacteric ethylene treatment, a significant role of ss-D-galactosidase and alpha-D-mannosidase in the ripening related softening of Alphonso fruits and transcriptional regulation of their expression by ethylene. (C) 2016 Society of Chemical Industry

}, doi = {10.1002/jsfa.7912}, author = {Chidley, Hemangi G. and Deshpande, Ashish B. and Oak, Pranjali S. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article {45811, title = {Effect of Ru precursors and reduction conditions on catalyst performance in glycerol hydrogenolysis}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {FEB}, pages = {1734-1745}, type = {Article}, abstract = {Catalyst precursors, their reduction protocols and reaction conditions integrally influenced the activity and selectivity pattern in glycerol hydrogenolysis. Ru prepared from chloride precursor (Ru(Cl)/C-B) showed the maximum selectivity to C-C cleavage products EG (56 \%) and methanol (17 \%) with 23 \% selectivity to 1,2-PDO. While, that prepared from nitrosyl precursor (Ru(n)/C-B) showed higher selectivity to 1,2-PDO (44 \%) and lower to EG (42 \%). The catalysts prepared either with chloride or nitrosyl precursors but reduced by H2 showed lower glycerol conversion (10-11 \%) than NaBH4 reduced catalysts. For these catalysts, 1,2-PDO selectivity increased to 40{\textendash}43 \% along with the major formation of 2-propanol (48-49 \%) and very less selectivities to C-C cleavage products. The lower activity of the H2 reduced catalysts can be related to their lower acidity and the bigger Ru metal particle size (3-5 nm). For Ru(Cl)/C-B catalyst, glycerol conversion increased from 28{\textendash}97 \% with a rise in temperature from 180 to 250 oC also favoring 1,2-PDO selectivity; indicating that C-O bond cleavage was favoured in comparison to C-C scission, at higher temperature. }, issn = {23656549}, doi = {10.1002/slct.201700049}, author = {Mane, R.B. and Patil, S.T. and Gurav, H. and Rayalu, S.S. and Rode, C.V.} } @article {45767, title = {Efficient organic photovoltaics with improved charge extraction and high short-circuit current}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {MAR }, pages = {5523-5530}, type = {Article}, abstract = {

Exciton generation, dissociation, free carrier transport, and charge extraction play an important role in the short-circuit current (J(sc)) and power conversion efficiency of an organic bulk heterojunction (BHJ) solar cell (SC). Here we study the impact of band offset at the interfacial layer and the morphology of active layer on the extraction of free carriers. The effects are evaluated on an inverted BHJ SC using zinc oxide (ZnO) as a buffer layer, prepared via two different methods: ZnO nanoparticle dispersed in mixed solvents (ZnO A) and sol-gel method (ZnO B). The device with ZnO A buffer layer improves the charge extraction and J(sc),. The improvement is due to the better band offset and morphology of the blend near the ZnO A/active layer interface. Further, the numerical analysis of current-voltage characteristics illustrates that the morphology at the ZnO A/active layer interface has a more dominant role in improving the performance of the organic photovoltaic than the band offset.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b01314}, author = {Mohan, Minu and Nandal, Vikas and Paramadam, Sanish and Reddy, Kasala Prabhakar and Ramkumar, Sekar and Agarwal, Sumanshu and Gopinath, Chinnakonda S. and Nair, Pradeep R. and Namboothiry, Manoj A. G.} } @article {43776, title = {Electrical resistance tomography for gas holdup in a gas-liquid stirred tank reactor}, journal = {Chemical Engineering Science}, volume = {170}, year = {2017}, month = {OCT}, pages = {476-490}, abstract = {Gas-Liquid flows in stirred tank reactors (STR) are used in many significant industrial operations such as hydrogenation, absorption, stripping, oxidation, hydrogenation, ozonation, chlorination, fermentation, etc. Gas-Liquid STRs are expected to perform several functions such as mixing, dispersing gas into liquid, mass and heat transfer and reactions. Gas hold up distribution and various flow regimes are the key parameters affecting performance of gas-liquid STRs. Various techniques such as visual analysis, photography, light attenuation, optical probe method are used to understand gas hold-up distribution within stirred tanks. Most of these techniques have some limitations with respect to measurement of gas hold up distribution. Electrical Resistance Tomography (ERT) is an upcoming technique for obtaining both qualitative and quantitative data on multiphase process units non-invasively and non-intrusively. In this work, an attempt was made to establish and validate the ERT technique for characterizing gas-liquid flows in a laboratory scale STR using the Rushton turbine impeller. ERT was used to study gas holdup and to identify flow regimes. The results were compared with the visual measurements as well as previously published correlations. The effect of gas flow rate, impeller speed on the mean gas holdup is discussed. The methodology and results presented in this work will be useful to effectively apply ERT for characterizing gas-liquid flows in stirred tanks. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.ces.2017.04.025}, author = {Sardeshpande, Madhavi V. and Gupta, Suraj and Ranade, Vivek V.} } @article {43549, title = {Electrochemical formation of Fe-V (O) and mechanism of its reaction with water during O-O bond formation}, journal = {Chemistry-A European Journal}, volume = {23 }, year = {2017}, month = {MAR}, pages = {3414-3424}, type = {Journal Article}, abstract = {A detailed electrochemical investigation of a series of iron complexes (biuret-modified tetraamido iron macrocycles FeIII-bTAML), including the first electrochemical generation of Fe-V(O), and demonstration of their efficacy as homogeneous catalysts for electrochemical water oxidation (WO) in aqueous medium are reported. Spectroelectrochemical and mass spectral studies indicated FeV(O) as the active oxidant, formed due to two redox transitions, which were assigned as Fe-IV(O)/Fe-III(OH2)and Fe-V(O)/Fe-IV(O). The spectral properties of both of these high-valent iron oxo species perfectly match those of their chemically synthesised versions, which were thoroughly characterised by several spectroscopic techniques. The O-O bond-formation step occurs by nucleophilic attack of H2O on FeV(O). A kinetic isotope effect of 3.2 indicates an atom-proton transfer (APT) mechanism. The reaction of chemically synthesised Fe-V(O) in CH3CN and water was directly probed by electrochemistry and was found to be first-order in water. The pK(a) value of the buffer base plays a critical role in the rate-determining step by increasing the reaction rate several-fold. The electronic effect on redox potential, WO rates, and onset overpotential was studied by employing a series of iron complexes. The catalytic activity was enhanced by the presence of electron-withdrawing groups on the bTAML framework. Changing the substituents from OMe to NO2 resulted in an eightfold increase in reaction rate, while the overpotential increased threefold.}, doi = {10.1002/chem.201605061}, author = {Pattanayak, Santanu and Chowdhury, Debarati Roy and Garai, Bikash and Singh, Kundan K. and Paul, Amit and Dhar, Basab B. and Sen Gupta, Sayam} } @article {45720, title = {Electrostatic origin of the red solvatochromic shift of DFHBDI in RNA spinach}, journal = {Journal of Physical Chemistry B}, volume = {121}, year = {2017}, month = {MAY}, pages = {4790-4798}, type = {Article}, abstract = {

Interactions with the environment tune the spectral properties of biological chromophores, e.g., fluorescent proteins. Understanding the relative contribution of the various types of noncovalent interactions in the spectral shifts can provide rational design principles toward developing new fluorescent probes. In this work, we investigate the origin of the red shift in the absorption spectra of the difluoro hydroxybenzylidene dimethyl imidazolinone (DFHBDI) chromophore in RNA spinach as compared to the aqueous solution. We systematically decompose the effects of various components of interactions, namely, stacking, hydrogen bonding, and long-range electrostatics, in order to elucidate the relative role of these interactions in the observed spectral behavior. We find that the absorption peak of DFHBDI is red-shifted by similar to 0.35 eV in RNA relative to the aqueous solution. Earlier proposals from Huang and co-workers have implicated the stacking interactions between DFHBDI and nucleic acid bases to be the driving force behind the observed red shift. In contrast, our findings reveal that the long-range electrostatic interactions between DFHBDI and negatively charged RNA. make the most significant contribution. Moreover, we notice that the opposing electrostatic fields due to the RNA backbone and the polarized water molecules around the RNA give rise to the resultant red shift. Our results emphasize the effect of strong heterogeneity in the various environmental factors that might be competing with each other.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.7b02445}, author = {Bose, Samik and Chakrabarty, Suman and Ghosh, Debashree} } @article {43873, title = {Elucidating the photoprotection mechanism of eumelanin monomers}, journal = {Journal of Physical Chemistry B}, volume = {121}, year = {2017}, month = {JUN}, pages = {5988-5994}, type = {Article}, abstract = {Eumelanin, the functional polymer in human skin, forms a heterogeneous layered structure intrinsic to its broadband monotonic spectra. The inherent structural heterogeneity of eumelanin makes the photoprocesses very complex and diverse in nature. Due to this diversity, a complete mechanistic picture of these photoprocesses, essential to understanding the photoprotective properties, has been missing to date. In this study, we recreate the potential energy surfaces of the low-lying excited states of the multiple monomeric forms of eumelanin constituents that play a prominent role in either photoprotection or photodamage pathways. Our results indicate a diverse set of pathways for the photoexcited species to relax back to the ground state, that depends on the specific monomeric form. Furthermore, the excited state reaction channels show the scope of extensive interconversion between the different monomers and therefore, we propose that the heterogeneity of eumelanin is key to its photoprotection capability.}, doi = {10.1021/acs.jpcb.7b05123}, author = {Ghosh, Paulami and Ghosha, Debashree} } @article {43910, title = {Enantioselective synthesis of functionalized β-lactones by NHC-catalyzed aldol lactonization of ketoacids}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {AUG}, type = {Article}, abstract = {N-Heterocyclic carbene (NHC)-catalyzed intramolecular aldol lactonization of readily available ketoacids leading to the enantioselective synthesis of cyclopentane-fused β-lactones is presented. The reaction proceeds via the generation of NHC-bound enolate intermediates formed from the ketoacids in the presence of the peptide coupling reagent HATU and NHC generated from the chiral triazolium salt. The functionalized β-lactones are formed under mild conditions in high yields and enantioselectivities.}, doi = {10.1021/acs.joc.7b01526}, author = {Mondal, Santigopal and Mukherjee, Subrata and Das, Tamal Kanti and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {43351, title = {Enantioselective synthesis of spiro γ-butyrolactones by N-heterocyclic carbene (NHC)-catalyzed formal [3+2] annulation of enals with 3-hydroxy oxindoles}, journal = {Organic \& Biomolecular Chemistry }, volume = {16}, year = {2017}, month = {FEB}, pages = {2013 - 2019}, abstract = {The N-heterocyclic carbene (NHC)-catalyzed enantioselective formal [3 + 2] annulation of α,β-unsaturated aldehydes with 3-hydroxy oxindoles is presented. Under oxidative conditions using the bisquinone oxidant, the reaction resulted in the synthesis of spiro γ-butyrolactones in moderate to good yields, enantioselectivity and diastereoselectivity. The reaction likely proceeds via the generation of the NHC-bound α,β-unsaturated acylazolium intermediate from enals, which was intercepted by the dioxindoles in a formal [3 + 2] pathway to form the spirocyclic compounds. However, a deeper mechanistic investigation revealed that the reaction can also proceed via the homoenolate intermediate. In this case, the dioxindole was oxidized to the corresponding isatin derivative using traces of air under basic conditions, and was intercepted with the NHC-bound homoenolate intermediate in a formal [3 + 2] pathway to afford the spiro compound.}, doi = {10.1039/C7OB00148G}, author = {Mukherjee, Subrata and Joseph, Sumi and Bhunia, Anup and Gonnade, Rajesh Ghanshyam and Reddy, Santhi Vardhan and Biju, Akkattu T.} } @article {44176, title = {Engineering cell surface glycans with carbohydrate enantiomers to alter bacterial binding and adhesion}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {SEP}, pages = {8865-8869}, type = {Article}, abstract = {

Chirality of carbohydrate has critical functions in many biological processes. Changes in the configuration of even one sugar molecules may cause abnormal behavior or even inhibit specific processes. Herein, we have shown bioorthogonal conjugation of mannose enantiomers on HeLa cell surfaces induced a different rate of bacterial binding and cell adhesion.

}, keywords = {Bioorthogonal reaction, Carbohydrate, E. coli, Enantiomer, Surfaces functionalization}, issn = {2365-6549}, doi = {10.1002/slct.201701875}, author = {Gade, Madhuri and Chaudhary, Preeti Madhukar and Thulasiram, Hirekodathakallu V. and Kikkeri, Raghavendra} } @article {45713, title = {Engineering molecular topology: A pseudopeptidic macrocyclic figure-eight motif}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {FEB }, pages = {1120-1124}, type = {Article}, abstract = {

We herein present a rational-design strategy for the synthesis of molecules with figure-eight topology. The design concept is based on the incorporation of turn units in the back-bone of the macrocycle. The molecular structures and the folding are studied by X-ray crystallography and NMR, FT-IR, and CD spectroscopy.

}, keywords = {Macrocycles, noncovalent interactions, Pi interactions, topology, X-ray diffraction}, issn = {1434-193X}, doi = {10.1002/ejoc.201601365}, author = {Sharma, Sakshi and Thorat, Shridhar H. and Gonnade, Rajesh G. and Jasinski, Jerry P. and Butcher, Ray and Haridas, V.} } @article {43846, title = {Enhanced proton conduction by post-synthetic covalent modification in a porous covalent framework}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {JUL}, pages = {13659-13664}, type = {Article}, abstract = {A highly chemically stable porous covalent framework (PCF-1) based on ether linkages has been synthesized, which exhibits no loss up to similar to 500 degrees C along with retention of integrity under acidic, basic and oxidative reagent conditions. Owing to its thermal and chemical stability, post-synthetic covalent modification was executed for the introduction of pendant sulphonic acid (-SO3H) groups. The covalently modified compound (PCF-1-SO3H) presents a remarkably high conductivity (ca. 0.026 S cm(-1)), with an similar to 130 fold enhancement in proton conductivity over the parent compound. This value is comparable with those of commercially used Nafion-based proton conducting materials and stands as the highest known value in the regime of post-synthetically modified porous organic frameworks. It is noteworthy to mention that PCF-1 is stable in both acidic and alkaline media, which is not commonly observed for most of the porous materials trialed as proton conducting materials, including metal organic frameworks.}, doi = {10.1039/c7ta00964j}, author = {Samanta, Partha and Desai, Aamod V. and Anothumakkool, Bihag and Shirolkar, Mandar M. and Karmakar, Avishek and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article {45724, title = {Environmentally benign bioderived carbon microspheres-supported molybdena nanoparticles as catalyst for the epoxidation reaction}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {5}, year = {2017}, month = {JAN}, pages = {904-910}, type = {Article}, abstract = {

A one pot synthesis of molybdenum oxide nanoparticles (NPs supported on bioderived carbon microspheres is reported. The catalyst was synthesized by the low temperature hydrothermal (LTH) method using D-glucose and bagasse as the carbon source. The carbonization of bagasse resulted in the formation of nonuniform carbon microspheres while glucose resulted in uniform carbon spheres. SEM and STEM elemental mapping show the uniform distribution of molybdenum oxide NPs over the carbon microspheres. XPS spectroscopy confirmed that molybdenum was in the Mo6+ oxidation state. The 1\% MoO3 supported on carbon microspheres derived from D-glucose showed excellent catalytic activity up to 100\% olefin conversion with 100\% epoxide selectivity using organic tent-butyl hydroperoxide as an oxidant. The catalyst was successfully used for up to five cycles without losing substantial activity and selectivity.

}, keywords = {Carbon microspheres, epoxidation, heterogeneous catalysis, Hydrothermal synthesis, TBHP}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.6b02229}, author = {Doke, Dhananjay S. and Umbarkar, Shubhangi B. and Gawande, Manoj B. and Zbori, Radek and Biradar, Ankush V.} } @article {44040, title = {Evaluating a new high-throughput twin-arginine translocase assay in bacteria for therapeutic applications}, journal = {Current Microbiology}, year = {2017}, month = {AUG}, pages = {1-15}, type = {Article in Press}, abstract = {The twin-arginine translocase (Tat) pathway is involved in the transport of folded proteins in bacteria, and has been implicated in virulence and pathogenesis. A simple but efficient assay based on the quantification of the exopolysaccharide colanic acid was developed as a new means to study Tat function. Colanic acid contains a methylpentose (l-fucose) component, and its production is directly linked to the Tat pathway through the transport of enzymes involved in polysaccharide biosynthesis. Monitoring of l-fucose levels can be applied for identification of new Tat substrates and high-throughput screening of Tat inhibitors for therapeutic applications.}, doi = { 10.1007/s00284-017-1321-z}, author = {Ghosh, D.}, editor = {Chougule, S.} } @article {43961, title = {Examination into the taxonomic position of Bacillus thermotolerans Yang et al., 2013, proposal for its reclassification into a new genus and species Quasibacillus thermotolerans gen. nov., comb. nov. and reclassification of B. encimensis Dastager et al., }, journal = {Systematic and Applied Microbiology}, year = {2017}, month = {SEP}, type = {Article}, abstract = {Two novel Gram-staining positive, rod-shaped, moderately halotolerant, endospore forming bacterial strains 5.5LF 38TD and 5.5LF 48TD were isolated and taxonomically characterized from a landfill in Chandigarh, India. The analysis of 16S rRNA gene sequences of the strains confirmed their closest identity to Bacillus thermotolerans SgZ-8T with 99.9\% sequence similarity. A comparative phylogenetic analysis of strains 5.5LF 38TD, 5.5LF 48TD and B. thermotolerans SgZ-8(T) confirmed their separation into a novel genus with B. badius and genus Domibacillus as the closest phylogenetic relatives. The major fatty acids of the strains are iso-C15:0 and iso-C16:0 and MK-7 is the only quinone. The major polar lipids are diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine. The digital DNA-DNA hybridization (DDH) and ortho average nucleotide identity (ANI) values calculated through whole genome sequences indicated that the three strains showed low relatedness with their phylogenetic neighbours. Based on evidences from phylogenomic analyses and polyphasic taxonomic characterization we propose reclassification of the species B. thermotolerans into a novel genus named Quasibacillus thermotolerans gen. nov., comb. nov with the type strain SgZ-8(T) (=CCTCC AB2012108(T)=KACC 16706(T)). Further our analyses also revealed that B. encimensis SGD-V-25(T) is a later heterotypic synonym of Bacillus badius DSM 23(T).}, doi = {10.1016/j.syapm.2017.07.010}, author = {Verma, Ashish and Pal, Yash and Khatri, Indu and Ojha, Anup Kumar and Gruber-Vodicka, Harald and Schumann, Peter and Dastager, Syed Gulam and Subramanian, Srikrishna and Mayilraj, Shanmugam and Krishnamurthi, Srinivasan} } @article {45706, title = {Exploiting phosphate-starved cells of scenedesmus SP for the treatment of raw sewage}, journal = {Indian Journal of Microbiology}, volume = {57}, year = {2017}, month = {JUN}, pages = {241-249}, type = {Article}, abstract = {

Phosphate depletion is one of the favorable ways to enhance the sewage water treatment with the algae, however, detailed information is essential with respect to internal phosphate concentration and physiology of the algae. The growth rate of the phosphate-starved Scenedesmus cells was reduced drastically after 48 h. Indicating cells entered in the stationary phase of the growth cycle. Fourier Transform Infrared analysis of phosphate-starved Scenedesmus cells showed the reduction in internal phosphate concentration and an increase in carbohydrate/phosphate and carbohydrate/lipid ratio. The phosphate-starved Scenedesmus cells, with an initial cell density of, 1 x 10(6) cells mL(-1) shows 87\% phosphate and 100 \% nitrogen removal in 24 h. The normal Scenedesmus cells need approximately 48 h to trim down the nutrients from wastewater up to this extent. Other microalgae, Ankistrodesmus, growth pattern was not affected due to phosphate starvation. The cells of Ankistrodesmus was able to reduce 71\% phosphate and 73\% nitrogen within 24 h, with an initial cell density of, 1 x 10(6) cells mL(-1).

}, keywords = {Ankistrodesmus, Fourier Transform Infrared, Phosphate starvation, Scenedesmus, Sewage treatment}, issn = {0046-8991}, doi = {10.1007/s12088-016-0626-0}, author = {Yewalkar-Kulkarni, Swati and Gera, Gayatri and Nene, Sanjay and Pandare, Kiran and Kulkarni, Bhaskar and Kamble, Sanjay} } @article {43886, title = {Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [(VO)-O-IV(beta-diketonate)2] with 2-aminobenzoyl-hydrazide in aerobic and anaerobic conditions}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {SEP}, type = {Article}, abstract = {

Refluxing [(VO)-O-IV(beta-diketonate)(2)], namely [(VO)-O-IV(acetylacetonate)(2)] and [(VO)-O-IV(benzoylacetonate)(2)], separately with an equivalent or excess amount of 2-aminobenzoylhydrazide (ah) in laboratory grade (LG) CH3OH in aerobic conditions afforded non-oxidovanadium(IV) and oxidovanadium(V) complexes of the type [V-IV(L-1)(2)] (1), [(VO)-O-V(L-1)(OCH3)](2) (3) and [V-IV(L-2)(2)] (2), and [(VO)-O-V(L-2)(OCH3)] (4), respectively. (L-1)(2-) and (L-2)(2-) represent the dianionic forms of 2-aminobenzoylhydrazone of acetylacetone (H2L1) and benzoylacetone (H2L2), respectively, (general abbreviation, H2L), which was formed by the in situ condensation of ah with the respective coordinated [beta-diketonate] in medium-to-good yield. The yield of different resulting products was dependent upon the ratio of ah to [(VO)-O-IV(beta-diketonate)(2)]. For example, the yield of 1 and 2 complexes increased significantly associated with a decrease in the amount of 3 and 4 with an increase in the molar ratio of ah. Upon replacing CH3OH by a non-hydroxylic solvent, LG CHCl3, the above reaction yielded only oxidovanadium(V) complexes of the type [(VO)-O-V(L-1)(OH)](2) (5), [(VO)-O-V(L-2)(OH)] (6) and [(V2O3)-O-V(L)(2)] (7, 8) whereas, upon replacing CHCl3 by another non-hydroxylic solvent, namely LG CH3CN, only the respective [(V2O3)-O-V(L)(2)] (7, 8) complex was isolated in 72-78\% yield. However, upon performing the above reactions in the absence of air using dry CH3OH or dry CHCl3, only the respective [V-IV(L)(2)] complex was obtained, suggesting that aerial oxygen was the oxidising agent and the type of pentavalent product formed was dependent upon the nature of solvent used. Complexes 3 and 4 were converted, respectively, to 7 and 8 on refluxing in LG CHCl3 via the respective unstable complex 5 and 6. The DFT calculated change in internal energy (Delta E) for the reactions 2[(VO)-O-V(L-2)(OCH3)] + 2H(2)O -\> 2[(VO)-O-V(L-2)(OH)] + 2CH(3)OH and 2[(VO)-O-V (L-2)(OH)] -\> [(V2O3)-O-V(L-2)(2)] + H2O was, respectively, +3.61 and -7.42 kcal mol(-1), suggesting that the [(VO)-O-V(L-2) (OH)] species was unstable and readily transformed to the stable [(V2O3)-O-V(L-2)(2)] complex. Upon one-electron reduction at an appropriate potential, each of 7 and 8 generated mixed-valence [(L) (VO)-O-V-(mu-O)-OVIV(L)]species, which showed valence-delocalisation at room temperature and localisation at 77 K. Some of the complexes showed a wide range of toxicity in a dose-dependent manner against lung cancer cells comparable with that observed with cis-platin.

}, keywords = {Effective Core Potentials, Lung-cancer cells, Molecular-Orbital Methods, Non-oxido vanadium(iv), Non-Oxo, Oxovanadium(iv) Complexes, Tridentate ono ligand; Ray crystal-structure, Trigonal-prismatic Co-ordination, V-IV complex}, issn = {1477-9226}, doi = {10.1039/c7dt01776f}, author = {Biswas, Nirmalendu and Patra, Debashis and Mondal, Bipul and Bera, Sachinath and Acharyya, Swarnali and Biswas, Anup Kumar and Mukhopadhyay, Titas Kumar and Pal, Amrita and Drew, Michael G. B. and Ghosh, Tapas} } @article {43993, title = {Exploring the gem-dimethyl effect in the formation of imine-based macrocycles and cages}, journal = {New Journal of Chemistry}, volume = {17}, year = {2017}, month = {JUL}, pages = {8721-8724 }, type = {Article}, abstract = {Using the gem-dimethyl effect as a platform, a variety of organic [2+2] macrocycles and [2+3] cofacial cages was obtained in high yields. Imine-based macrocyclization could be performed even at high concentrations (0.5 to 1.0 M), via instant mixing of aldehydes and amines.}, doi = {10.1039/C7NJ02069D}, author = {Madhu, Suresh and Rashmi, E. V. and Gonnade, Rajesh Ghanshyam and Sanjayan, Gangadhar J.} } @article {43837, title = {Exploring the influence of shapes and heterogeneity of glyco-gold nanoparticles on bacterial binding for preventing infections}, journal = {Chemmedchem}, volume = {12}, year = {2017}, month = {JUL}, pages = {1116-1124}, type = {Article}, abstract = {To investigate the effects of the heterogeneity and shape of glyco-nanoprobes on carbohydrate-protein interactions (CPIs), alpha-d-mannose-and beta-d-galactose-linked homo-and heterogeneous glycodendrons were synthesized and immobilized on spherical and rod-shaped gold nanoparticles (AuNPs). Lectin and bacterial binding studies of these glyco-AuNPs clearly illustrate that multivalency and shape of AuNPs contribute significantly to CPIs than the heterogeneity of glycodendrons. Finally, bacterial infection of HeLa cells was effectively inhibited by the homogeneous glycodendron-conjugated rod-shaped AuNPs relative to their heterogeneous counterparts. Overall, these results provide insight into the role of AuNP shape and multivalency as potential factors to regulate CPIs.}, doi = {10.1002/cmdc.201700218}, author = {Toraskar, Suraj and Gade, Madhuri and Sangabathuni, Sivakoti and Thulasiram, Hirekodathakallu V. and Kikkeri, Raghavendra} } @article {44177, title = {Facile one-pot multi-component synthesis of spirooxindoles and 3, 3 {\textquoteleft}-disubstituted oxindoles via sp(3) C-H activation/functionalization of azaarenes}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {SEP}, pages = {9147-9152}, type = {Article}, abstract = {

A novel one-pot multicomponent reaction (MCR) protocol has been demonstrated for the first time for sustainable and facile synthesis of spirooxindoles and 3, 3 {\textquoteleft}-disubstituted oxindoles in an excellent yield via sp(3) C-H activation/functionalization of 2-methyl azaarenes and (2-azaaryl)methanes with isatin, active methylene compounds using eco-friendly heterogeneous, reusable silica-supported dodecatungstophosphoric acid (DTP/SiO2) catalyst.

}, keywords = {3, 3{\textquoteright}-disubstituted oxindoles, azaarenes, silica-supported dodecatungstophosphoric acid (DTP/SiO2) catalyst, sp(3) C-H activation/functionalization, spirooxindoles}, issn = {2365-6549}, doi = {10.1002/slct.201701507}, author = {Pathan, Mohsinkhan Y. and Chavan, Santosh S. and Shaikh, Taufeekaslam M. Y. and Thorat, Shridhar H. and Gonnade, Rajesh G. and Mulla, Shafeek A. R.} } @article {43335, title = {Facile synthesis of 3D anode assembly with Si nanoparticles sealed in highly pure few layer graphene deposited on porous current collector for long life Li-Ion battery}, journal = {Advanced Materials Interfaces}, volume = {4}, year = {2017}, month = {MAR}, pages = {Article Number: 1601043}, type = {Article}, abstract = {With its exceptional theoretical charge capacity, silicon holds great promise as an anode material for realization of high energy density Li-ion batteries. However, extensive volume expansion and poor cycle stability of silicon compromise its actual use. In an effort to tame volume expansion and structural disintegration during cycling, an innovative 3D electrode assembly is fabricated involving continuous layer of graphene coated on porous current collector and Si nanoparticles sealed in as an active material. Graphene deposition and pore formation in metal current collector is achieved in a unique single step synthesis. All the active components like current collector, reacting material, and conducting material are manipulated in a way to produce synergistic architecture in a chemical vapor deposition process. Highly pure graphene deposited in this process enables efficient electron transfer from allover of the surface of silicon nanoparticles and prevents continuous solid electrolyte interphase layer formation. This binder free anode assembly shows extremely stable lithium storage performance for over 1000 cycles with 88\% of initial capacity retention and 100\% Coulombic efficiency.}, doi = {10.1002/admi.201601043}, author = {Shelke, Manjusha V. and Gullapalli, Hemtej and Kalaga, Kaushik and Rodrigues, Marco and Devarapalli, Rami Reddy and Vajtai, Robert and Ajayan, Pulickel M.} } @article {44138, title = {Facile synthesis of Al2O3-Pt nanocomposite and its catalytic activity}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {NOV}, pages = {Article Number: 115002}, type = {Article}, abstract = {Pt nanoparticles were synthesized on gamma-alumina support in presence of oleic acid which was found to prevent clustering of Pt nanoparticles on the support. Various percentage of Pt loading on the alumina changed the catalytic activity for preferential oxidation of CO at relatively low temperature in H-2 rich stream. Pt nanoparticles when synthesized in absence of oleic acid, were all clustered and did not have any catalytic activity. The presence of oleic acid promoted stability preventing agglomeration of Pt nanoparticles. The catalyst thus prepared was characterized thoroughly and their catalytic activity was studied in details.}, doi = {10.1088/2053-1591/aa9441}, author = {Das, Subhasis and Bordoloi, Ankur and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {43353, title = {Facile synthesis of N-acyl 2-aminobenzothiazoles by NHC-catalyzed direct oxidative amidation of aldehydes}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JAN}, pages = {1478 - 1481}, abstract = {A mild, general, and high yielding synthesis of N-acyl 2-aminobenzothiazoles has been demonstrated by N-heterocyclic carbene (NHC)-organocatalyzed direct amidation of aldehydes with 2-aminobenzothiazoles proceeding via acyl azolium intermediates. The carbene generated from the triazolium salt under oxidative conditions was the key for the success of this reaction. The method was subsequently applied to the synthesis of various biologically important N-acyl 2-aminobenzothiazoles.}, doi = {10.1039/C6CC08640C}, author = {Premaletha, Sethulekshmi and Ghosh, Arghya and Joseph, Sumi and Reddy, Santhi Vardhan and Biju, Akkattu T.} } @article {43705, title = {Facile synthesis of ZnO-Ag nanocomposite and its photocatalytic activity}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {MAY}, pages = {Article Number: 055011}, type = {Article}, abstract = {

The evolution of photoactive hybrid materials (e.g. noble metal-semiconductor) has resulted in heterogeneous photocatalysis. We report a facile route for the synthesis of ZnO-Ag nanocomposites with varying percentage of loading of the noble metal, expecting a great boost in the photocatalytic behavior of ZnO. The as prepared material was thoroughly characterized by UV-Vis, FTIR, TEM, FESEM, XRD, XPS analyses. The photocatalytic activities of the nanocomposites have been assessed from the ability to degrade methylene blue dye in aqueous solution. The results suggest that incorporation of Ag nanoparticles on the surface of ZnO particles can enhance catalytic activity in comparison to pure ZnO particles under visible light by minimizing the recombination of photogenerated electron-hole pairs.

}, doi = {10.1088/2053-1591/aa6df1}, author = {Sardar, Debasmita and Maity, Jayeta and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {43521, title = {Factors affecting the efficiency of a water splitting photocatalyst: a perspective}, journal = {Renewable \& Sustainable Energy Reviews}, volume = {71}, year = {2017}, month = {MAY}, pages = {585-601}, abstract = {To design an efficient photocatalyst (PC) for semiconductor (SC)-mediated, solar-driven water dissociation to generate hydrogen, a host of strategies has been adopted, including the fabrication of semiconductor composites, substitution of impurities for achieving extended absorbance, and coating with a metal to promote charge transfer. Despite these efforts, a photocatalyst exhibiting requisite efficiency has not been developed. This article reviews the factors governing the water splitting photoactivity of an SC material, and provides an account of our recent research on this subject. As per our investigations, the mode of adsorption of the water molecules on the semiconductor surface and their subsequent interaction with the charge carriers play a crucial role in the overall performance of a water splitting photocatalyst, rather than the much-discussed SC SC or SC -> metal charge transfer effects alone. The water to-SC binding is controlled by a combination of several physicochemical properties of a composite PC, such as the preparation-dependent grain morphology, doping affected grain nucleation, pore structure-dependent water adsorption/desorption kinetics, exposure of specific facets, and SC/SC or SC/metal interfacial characteristics. Our studies revealed strong particle size dependence and the facet-based sensitivity of modified metal sulfide and metal oxide photocatalysts. Additionally, the effect of lattice impurity on quantum efficiency of wide gap metal oxides, such as TiO2, In2TiO5, InVO4, FeNbO4, GaNbO4, GaFeO3, and LaInO3, is related to the lattice-defect-induced intra-bandgap energy levels rather than the doping-induced extension of visible region absorbance. Furthermore, the dispersed gold natoparticles served as distinct reaction sites over the surface of a TiO2 photocatalyst besides their contribution to the plasmonic effect. Our study revealed that under certain spectral overlap conditions, the inter-semiconductor charge transfer might cause quenching of the water splitting photoactivity Of a composite photocatalyst. We surmise that considering the aforementioned factors should assist in designing an efficient water splitting PC, eventually triggering technological advancements in this field.}, doi = {10.1016/j.rser.2016.12.086}, author = {Gupta, Narendra M.} } @article {43341, title = {Flexible epoxy novolac coatings: use of cardanol-based flexibilizers}, journal = {Journal of Applied Polymer Science}, year = {2017}, month = {FEB}, abstract = {Flexible epoxy novolac coatings were developed by reacting an epoxy novolac resin, Poly[(phenylglycidyl ether)-co-formaldehyde] (PPGEF) with an amine curing agent, 4,4'-diamino-3,3'-dimethyldicyclohexyl methane (BMCHA), cardanol based reactive diluent (Cardolite NC-513) and two different cardanol-based flexibilizers (Cardolite NC-514 and Cardolite NC-547). The flexibilizer content was varied from 5 to 10\% by weight of the resin. These resins were coated onto the stainless steel panels and tested for their gloss, cross-hatch adhesion, falling weight impact resistance, flexibility, abrasion, scratch hardness, solvent scrub resistance, and chemical resistance. The thermo-mechanical properties of these coatings were determined by TGA, DSC, DMTA, and tensile strength measurements. The cryofractured specimens were subjected to SEM analysis. The influence of structural differences of two flexibilizers on the coating properties was investigated. These coatings exhibited excellent properties and have great potential in industrial applications. {\textcopyright} 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44920.}, doi = {10.1002/app.44920}, author = {Gour, Rajeshwari S. and Raut, Kundalik G. and Badiger, Manohar V.} } @article {45736, title = {Functional stability and structural transitions of kallikrein: spectroscopic and molecular dynamics studies}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {35}, year = {2017}, month = {MAR}, pages = {330-342}, type = {Article}, abstract = {

Kallikrein, a physiologically vital serine protease, was investigated for its functional and conformational transitions during chemical (organic solvents, Gdn-HCl), thermal, and pH induced denaturation using biochemical and biophysical techniques and molecular dynamics (MD) simulations approach. The enzyme was exceptionally stable in isopropanol and ethanol showing 110\% and 75\% activity, respectively, after 96h, showed moderate tolerance in acetonitrile (45\% activity after 72h) and much lower stability in methanol (40\% activity after 24h) (all the solvents [90\% v/v]). Far UV CD and fluorescence spectra indicated apparent reduction in compactness of KLKp structure in isopropanol system. MD simulation studies of the enzyme in isopropanol revealed (1) minimal deviation of the structure from native state (2) marginal increase in radius of gyration and solvent accessible surface area (SASA) of the protein and the active site, and (3) loss of density barrier at the active site possibly leading to increased accessibility of substrate to catalytic triad as compared to methanol and acetonitrile. Although kallikrein was structurally stable up to 90 degrees C as indicated by secondary structure monitoring, it was functionally stable only up to 45 degrees C, implicating thermolabile active site geometry. In GdnHCl [1.0M], 75\% of the activity of KLKp was retained after incubation for 4h, indicating its denaturant tolerance. A molten globule-like structure of KLKp formed at pH 1.0 was more thermostable and exhibited interesting structural transitions in organic solvents. The above results provide deeper understanding of functional and structural stability of the serine proteases at molecular level.

}, keywords = {isopropanol tolerance, Kallikrein, MD Simulation, Molten globule, Serine protease, Thermostability}, issn = {0739-1102}, doi = {10.1080/07391102.2016.1138884}, author = {Dalal, Sayli and Mhashal, Anil and Kadoo, Narendra and Gaikwad, Sushama M.} } @article {43923, title = {G - C3N4 (2D)/CdS (1D)/rGO (2D) dual-interface nano-composite for excellent and stable visible light photocatalytic hydrogen generation}, journal = {International Journal of Hydrogen Energy}, volume = {42}, year = {2017}, month = {MAR}, pages = {5971-5984}, type = {Journal }, abstract = {

A 2D/1D/2D dual-interface nano-composite configuration in the form of CdS nanorods sandwiched between g-C3N4 and rGO sheets with intimate interfacial contact is synthesized by a facile wet-chemical method and is shown to exhibit excellent photocatalytic H2 generation under visible-light irradiation. In particular, the optimal g-C3N4/CdS/rGO dual-interface nano-composite shows H2 production rate of \~{}4800 μmol h-1 g-1, which is almost 44, 11 and 2.5 times higher than that shown by pure g-C3N4 nanosheets, and the g-C3N4/rGO and g-C3N4/CdS single interface heterostructures, respectively. It is shown that the synergic effects involving the band structure match and close interfacial contact, which can accelerate the separation and transfer of photoinduced charge carriers, and the enhanced visible-light absorption together contribute to the impressive photocatalytic performance and photostability of the g-C3N4/CdS/rGO ternary nano-composite system. Specific advantages of a dual-interface triple-composite system over a single interface case(s) are also brought out.

}, keywords = {charge transfer, Dual Interface, G - CN, H Generation, Hetero Structure, Nano - Composite}, doi = {10.1016/j.ijhydene.2016.11.065}, author = {Tonda, Surendar}, editor = {Kumar, Santosh} } @article {43357, title = {General nickel-catalyzed method for C-H bond alkynylation of heteroarenes through chelation assistance}, journal = {Chemistry - A European Journal}, volume = {23}, year = {2017}, month = {FEB}, pages = {2907-2914}, abstract = {

A general nickel-catalyzed method for the alkynylation of heteroarenes through monodentate chelation assistance is described. Many heterocycles, including indoles, pyrroles, imidazoles and pyrazole, efficiently coupled with (triisopropylsilyl)alkynyl bromide, and synthetically important functional groups, such as halides, ether, nitrile, nitro were tolerated. Synthetic applicability of this Ni-catalyzed method is demonstrated by the removal of triisopropylsilyl (-SiiPr$_{3}$) group, and further functionalization into triazolyl, benzofuranyl and alkynyl arene derivatives. Preliminary mechanistic investigations on the alkynylation of indole suggest that the reaction proceeds through kinetically relevant C-H activation and follows the two-electron redox pathway. A catalytically competent Ni-species, [(Phen)$_{3}$Ni].NiBr$_{4}$ has been isolated and structurally characterized.

}, doi = {10.1002/chem.201605306}, author = {Punji, Benudhar and Khake, Shrikant manmathappa and Soni, Vineeta and Gonnade, Rajesh Ghanshyam} } @article {43658, title = {Genetic programming based high performing correlations for prediction of higher heating value of coals of different ranks and from diverse geographies}, journal = {Journal of the Energy Institute}, volume = {90}, year = {2017}, month = {JUN}, pages = {476-484}, type = {Article}, abstract = {

The higher heating value (HHV) is the most important indicator of a coal{\textquoteright}s potential energy yield. It is commonly used in the efficiency and optimal design calculations pertaining to the coal combustion and gasification processes. Since the experimental determination of coal{\textquoteright}s HHV is tedious and time-consuming, a number of proximate and/or ultimate analyses based correlations which are mostly linear have been proposed for its estimation. Owing to the fact that relationships between some of the constituents of the proximate/ultimate analyses and the HHV are nonlinear, the linear models make suboptimal predictions. Also, a majority of the currently available HHV models are restricted to the coals of specific ranks or particular geographical regions. Accordingly, in this study three proximate and ultimate analysis based nonlinear correlations have been developed for the prediction of HHV of coals by utilizing the computational intelligence (CI) based genetic programming (GP) formalism. Each of these correlations possesses following noteworthy characteristics: (i) the highest HHV prediction accuracy and generalization capability as compared to the existing models, (ii) wider applicability for coals of different ranks and from diverse geographies, and (iii) structurally lower complex than the other CI-based existing HHV models. It may also be noted that in this study, the GP technique has been used for the first time for developing coal specific HHV models. Owing to the stated attractive features, the GP-based models proposed here possess a significant potential to replace the existing models for predicting the HHV of coals. (C) 2016 Energy Institute. Published by Elsevier Ltd. All rights reserved.

}, doi = {10.1016/j.joei.2016.03.002}, author = {Ghugare, Suhas B. and Tambe, Sanjeev S.} } @article {45682, title = {Genomic and functional characterization of coleopteran insect-specific alpha-amylase inhibitor gene from amaranthus species}, journal = {Plant Molecular Biology}, volume = { 94 }, year = {2017}, month = {JUN}, pages = {319-332}, type = {Article}, abstract = {The smallest 32 amino acid alpha-amylase inhibitor from Amaranthus hypochondriacus (AAI) is reported. The complete gene of pre-protein (AhAI) encoding a 26 amino acid (aa) signal peptide followed by the 43 aa region and the previously identified 32 aa peptide was cloned successfully. Three cysteine residues and one disulfide bond conserved within known alpha-amylase inhibitors were present in AhAI. Identical genomic and open reading frame was found to be present in close relatives of A. hypochondriacus namely Amaranthus paniculatus, Achyranthes aspera and Celosia argentea. Interestingly, the 3{\textquoteright}UTR of AhAI varied in these species. The highest expression of AhAI was observed in A. hypochondriacus inflorescence; however, it was not detected in the seed. We hypothesized that the inhibitor expressed in leaves and inflorescence might be transported to the seeds. Sub-cellular localization studies clearly indicated the involvement of AhAI signal peptide in extracellular secretion. Full length rAhAI showed differential inhibition against alpha-amylases from human, insects, fungi and bacteria. Particularly, alpha-amylases from Helicoverpa armigera (Lepidoptera) were not inhibited by AhAI while Tribolium castaneum and Callosobruchus chinensis (Coleoptera) alpha-amylases were completely inhibited. Molecular docking of AhAI revealed tighter interactions with active site residues of T. castaneum alpha-amylase compared to C. chinensis alpha-amylase, which could be the rationale behind the disparity in their IC50. Normal growth, development and adult emergence of C. chinensis were hampered after feeding on rAhAI. Altogether, the ability of AhAI to affect the growth of C. chinensis demonstrated its potential as an efficient bio-control agent, especially against stored grain pests.}, doi = {10.1007/s11103-017-0609-5}, author = {Bhide, Amey J. and Channale, Sonal M. and Yadav, Yashpal and Bhattacharjee, Kabita and Pawar, Pankaj K. and Maheshwari, V. L. and Gupta, Vidya S. and Ramasamy, Sureshkumar and Giri, Ashok P.} } @inbook {45821, title = {Global conformation of Tau protein mapped by Raman spectroscopy}, booktitle = {Methods in Molecular Biology}, volume = {1523}, year = {2017}, pages = {21-31}, publisher = {Humana Press Inc.}, organization = {Humana Press Inc.}, chapter = {Global conformation of Tau protein mapped by Raman spectroscopy}, address = {New York}, abstract = {Alzheimer{\textquoteright}s disease (AD) is one of the neurodegenerative disease characterized by progressive neuronal loss in the brain. Its two major hallmarks are extracellular senile plaques and intracellular neurofibrillary tangles (NFTs), formed by aggregation of amyloid β-42 (Aβ-42) and Tau protein respectively. Aβ-42 is a transmembrane protein, which is produced after the sequential action of β- and γ-secretases, thus obtained peptide is released extracellularly and gets deposited on the neuron forming senile plaques. NFTs are composed of microtubule-associated protein-Tau (MAPT). Tau protein{\textquoteright}s major function is to stabilize the microtubule that provides a track on which the cargo proteins are shuttled and the stabilized microtubule also maintains shape and integrity of the neuronal cell. Tau protein is subjected to various modifications such as phosphorylation, ubiquitination, glycation, acetylation, truncation, glycosylation, deamination, and oxidation; these modifications ultimately lead to its aggregation. Phosphorylation is the major modification and is extensively studied with respect to Tau protein. Tau protein, however, undergoes certain level of phosphorylation and dephosphorylation, which regulates its affinity for microtubule and ultimately leading to microtubule assembly and disassembly. Our main aim was to study the native state of longest isoform of Tau (hTau40WT-4R2N) and its shortest isoform, (hTau23WT-3R0N), at various temperatures such as 10, 25, and 37 {\textdegree}C. Raman spectroscopic results suggested that the proportion of random coils or unordered structure depends on the temperature of the protein environment. Upon increase in the temperature from 10 to 37 {\textdegree}C, the proportion of random coils or unordered structures increased in the case of hTau40WT. However, we did not find a significant effect of temperature on the structure of hTau23WT. This current approach enables one to analyze the global conformation of soluble Tau in solution. }, doi = {10.1007/978-1-4939-6598-4_2}, author = {Gorantla, N.V. and Khandelwal, P. and Poddar, P. and Chinnathambi, S.} } @article {43839, title = {Glucosylation of smoke-derived volatiles in grapevine (vitis vinifera) is catalyzed by a promiscuous resveratrol/guaiacol glucosyltransferase}, journal = {Journal of Agricultural and Food Chemistry}, volume = {65}, year = {2017}, month = {JUL}, pages = {5681-5689}, type = {Article}, abstract = {Vinification of grapes (Vitis vinifera) exposed to forest fire smoke can yield unpalatable wine due to the presence of taint compounds from smoke and the release of smoke derived volatiles from their respective glycosides during the fermentation process or in-mouth during consumption. To identify glycosyltransferases (GTs) involved in the formation of glycosidically bound smoke-derived volatiles we performed gene expression analysis of candidate GTs in different grapevine tissues. Second, substrates derived from bushfire smoke or naturally occurring in grapes were screened with the candidate recombinant GTs. A resveratrol GT (UGT72B27) gene, highly expressed in grapevine leaves and berries was identified to be responsible for the production of the phenolic glucosides. UGT72B27 converted the stilbene trans-resveratrol mainly to the 3-O-glucoside. Kinetic analyses yielded specificity constants (k(cat)/K-m) of 114, 17, 9, 8, and 2 mM(-1) s(-1) for guaiacol, trans-resveratrol, syringol, methylsyringol, and methylguaiacol, respectively. This knowledge will help to design strategies for managing the risk of producing smoke-affected wines.}, doi = {10.1021/acs.jafc.7b01886}, author = {Haratl, Katja and Huang, Fong-Chin and Giri, Ashok P. and Franz-Oberdorf, Katrin and Frotscher, Johanna and Shao, Yang and Hoffmann, Thomas and Schwab, Wilfried} } @article {43865, title = {Glycoprotein alpha-amylase inhibitor from Withania somnifera differentially inhibits various alpha-amylases and affects the growth and development of Tribolium castaneum}, journal = {PEST Management Science}, volume = {73}, year = {2017}, month = {JUL}, pages = {1382-1390}, type = {Article}, abstract = {

BACKGROUND: Identification and characterisation of plant defensive molecules enrich our resources to design crop protection strategies. In particular, plant-derived proteinaceous inhibitor(s) of insect digestive enzymes appear to be a safe, sustainable and attractive option. RESULTS: A glycoprotein having non-competitive alpha-amylase inhibitory activity with a molecular weight of 8.3 kDa was isolated and purified from seeds of Withania somnifera alpha-amylase inhibitor (WSAI). Its mass spectrometry analysis revealed 59\% sequence coverage with Wrightide II-type alpha-amylase inhibitor from Wrightia religiosa. A dose-dependent inhibition of alpha-amylases from Aspergillus oryzae, Bacillus subtilis, Helicoverpa armigera and Tribolium castaneumwas recorded. Interestingly, WSAI did not inhibit human salivary alpha-amylase significantly. When adults of T. castaneum were fed with WSAI (1.6mg g(-1)), decrease inconsumption, growthandefficiency of conversion of ingested foodwas evident, along withover fourfold increases in feedingdeterrence index. Adecline inlarval residual alpha-amylase activity after feedingofWSAI resulted ina reduction in longevity of T. castaneum. CONCLUSION: The study reflects the significance of WSAI in affecting the overall growth and development of T. castaneum. Pre-and post-harvest pest resistive capability makes WSAI a potential candidate for insect pest management. Further, the effectiveness of this inhibitor could be explored either in formulations or through a transgenic approach. (C) 2016 Society of Chemical Industry

}, doi = {10.1002/ps.4467}, author = {Kasar, Sainath S. and Marathe, Kiran R. and Bhide, Amey J. and Herwade, Abhijeet P. and Giri, Ashok P. and Maheshwari, Vijay L. and Pawar, Pankaj K.} } @article {44154, title = {H-Bonding assisted self-assembly of anionic and neutral ligand on metal: a comprehensive strategy to mimic ditopic ligands in olefin polymerization}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {OCT}, pages = {12448-12456}, type = {Article}, abstract = {Self-assembly of two neutral ligands on a metal to mimic bidentate ligand coordination has been frequently encountered in the recent past, but self-assembly of an anionic ligand on a metal template alongside a neutral ligand remains an elusive target. Such a self-assembly is hampered by additional complexity, wherein a highly negatively charged anion can form intermolecular hydrogen bonding with the supramolecular motif, leaving no scope for self-assembly with neutral ligand. Presented here is the self-association of anionic ligand 3-ureidobenzoic acid (2a) and neutral ligand 1-(3-(diphenylphosphanyl)phenyl)urea (1a) on a metal template to yield metal complex [{COOC6H4-NH(CO)NH2}{Ph2PC6H4NH(CO)NH2}PdMeDMSO] (4a). The identity of 4a was established by NMR and mass spectroscopy. Along the same lines, 3-(3-phenylureido)benzoic acid (2b) and 1-(3-(diphenylphosphanyl)phenyl)-3-phenylurea (1b) self-assemble on a metal template to produce palladium complex [{COOC6H4NH(CO)NHPh}{Ph2PC6H4NH(CO)NHPh}PdMePy] (5c). The existence of 5c was confirmed by Job plot, 1-2D NMR spectroscopy, deuterium labeling, IR spectroscopy, UV-vis spectroscopy, model complex synthesis, and DFT calculations. These solution and gas phase investigations authenticated the presence of intramolecular hydrogen bonding between hydrogen{\textquoteright}s of 1b and carbonyl oxygen of 2b. The generality of the supramolecular approach has been validated by preparing six complexes from four monodentate ligands, and their synthetic utility was demonstrated in ethylene polymerization. Complex 4a was found to be the most active, leading to the production of highly branched polyethylene with a molecular weight of 55700 g/mol and melting temperature of 112 degrees C.}, doi = {10.1021/acs.inorgchem.7b01923}, author = {Mote, Nilesh R. and Patel, Ketan and Shinde, Dinesh R. and Gaikwad, Shahaji R. and Koshti, Vijay S. and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {43850, title = {Hexaphosphate-derived phosphorus-functionalized carbon for lithium-ion battery anode}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {JUL}, pages = {5600-5607}, type = {Article}, abstract = {

We show that high-temperature annealing of a dried hexaphosphate, namely phytic acid, renders activated (micro-porous) and phosphorus-functionalized graphene like carbon in a one-step process. At high enough temperature few volatile phosphates serve as porogen-forming entities while other groups reactively functionalize the carbon surface. The optimized material has high effective surface area due to the presence of defect states. As an anode material for Li-ion battery, it exhibits a reversible capacity that is double that of the graphite and is stable for 1000 cycles even at a high current of 5 A g(-1). This result is attributed to the concurrent presence of micropores and phosphorus containing groups in the carbon matrix.

}, doi = {10.1002/slct.201700909}, author = {Gawli, Yogesh and Wahid, Malik and Fernandez, Rohan and Kothari, Dushyant and Shelke, Manjusha and Ogale, Satishchandra B.} } @article {43881, title = {High-throughput mass spectrometry analysis revealed a role for glucosamine in potentiating recovery following desiccation stress in chironomus}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {JUN}, pages = {Article Number: 3659}, type = {Article}, abstract = {Desiccation tolerance is an essential survival trait, especially in tropical aquatic organisms that are vulnerable to severe challenges posed by hydroperiodicity patterns in their habitats, characterized by dehydration-rehydration cycles. Here, we report a novel role for glucosamine as a desiccation stress-responsive metabolite in the underexplored tropical aquatic midge, Chironomus ramosus. Using high-throughput liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QToF-MS) analysis, biochemical assays and gene expression studies, we confirmed that glucosamine was essential during the recovery phase in C. ramosus larvae. Additionally, we demonstrated that trehalose, a known stress-protectant was crucial during desiccation but did not offer any advantage to the larvae during recovery. Based on our findings, we emphasise on the collaborative interplay of glucosamine and trehalose in conferring overall resilience to desiccation stress and propose the involvement of the trehalose-chitin metabolic interface in insects as one of the stress-management strategies to potentiate recovery post desiccation through recruitment of glucosamine.}, doi = {10.1038/s41598-017-03572-5}, author = {Thorat, Leena and Oulkar, Dasharath and Banerjee, Kaushik and Gaikwad, Sushama M. and Nath, Bimalendu B.} } @article {42931, title = {Hybrid equation-of-motion coupled-cluster/effective fragment potential method: a route toward understanding photoprocesses in the condensed phase}, journal = {Journal of Physical Chemistry A}, volume = {121}, year = {2017}, month = {DEC}, pages = {741-752}, type = {Article}, abstract = {

The prediction of accurate solvatochromic shifts to the electronic excited states of chromophores is a challenge, especially in the complex biological phase, due to the importance of long-range electrostatic interactions. Hybrid quantum mechanical/molecular mechanical (QM/MM) methods are generally employed for the calculation of quantum mechanical properties in complex systems. To be predictive, there is need for an accurate quantum mechanical method that can depict the charge transfer states correctly and incorporate higher than single excited determinants in its linear response ansatz. On the contrary, for the correct depiction of the environment interactions (MM region), one needs to account for polarizability in a balanced manner. These two challenges are successfully addressed by the recently developed hybrid quantum mechanical/effective fragment potential (QM/EFP) methods, with equation-of-motion coupled-cluster (EOM-CC) as the QM method of choice. The result is an efficient method to estimate excitation energy, ionization energy, electron affinity, and redox potential in the condensed phase. It has further been extended to biological systems.

}, doi = {10.1021/acs.jpca.6b08263}, author = {Ghosh, Debashree} } @article {43264, title = {Hybrids of thienopyrimidinones and thiouracils as anti-tubercular agents: SAR and docking studies}, journal = {European Journal of Medicinal Chemistry}, volume = {127}, year = {2017}, month = {JAN}, abstract = {

A number of hybrid molecules containing thienopyrimidinones and thiouracil moieties were designed, synthesized and tested against Mycobacterium tuberculosis H37Ra wherein it was observed that the compounds 11-1514 exhibited antitubercular activity in vitro (MIC 7.6{\textendash}19.1 μg/ml, 12{\textendash}35 μM) against dormant stage while compound 15 exhibited antitubercular activity in vitro against dormant (MIC 23.4 μg/ml, 41 μM) as well as active (MIC 25.4 μg/ml, 45 μM) stage. Structural modifications of compound 15 were carried out to study the structure-activity relationship and it was observed that compound 18 exhibited antitubercular activity comparable to compound 15. Cytotoxicity studies revealed that these molecules were non-toxic. The docking study of compound 15 showed that there was binding with the active site of mycobacterial pantothenate synthetase. Further docking studies led to the synthesis of the compounds 16 and 17 and the antitubercular activity screening results showed that these compounds have significant antitubercular activity. The compounds 15-18 (MIC 11{\textendash}29 μg/ml, 19{\textendash}51 μM) can be used as starting points for further optimization. The synthetic strategies used in the present work have potential to prepare a large number of compounds for further refinement of structures and the present results will be very useful in the development of a new class of antimycobacterial agents.

}, doi = {10.1016/j.ejmech.2017.01.009}, author = {Pisal, Mahesh M. and Nawale, Laxman U. and Patil, Manoj and Bhansali, Sujit G. and Gajbhiye, Jayant M. and Sarkar, Dhiman and Chavan, Subhash P. and Borate, Hanumant B.} } @article {44141, title = {Identification and functionality prediction of pathogenesis-related protein 1 from legume family}, journal = {Proteins-Structure Function and Bioinformatics}, volume = {85}, year = {2017}, month = {NOV}, pages = {2066-2080}, type = {Article}, abstract = {The production and accumulation of pathogenesis-related (PR) proteins in plants is one of the important responses to biotic and abiotic stress. Large number of identified PR proteins has been categorized into 17 functional families based on their structure, phylogenetics, and biological activities. However, they are not widely studied in legume crops. Using 29 PR1 proteins from Arabidopsis thaliana, as query, here we have predicted 92 candidate PR1 proteins through the PSI-BLAST and HMMER programs. These candidate proteins were comprehensively analyzed with, multiple sequence alignment, domain architecture studies, signal peptide, and motif extraction followed by phylogenetic analysis. Further, response of two candidate PR1 proteins from chickpea against Fusarium oxysporum f.sp.ciceri attack was validated using qRT-PCR followed by their 3D structure prediction. To decipher mode of action for PR1s, docking of pathogen extracellular matrix components along with fungal elicitors was performed with two chickpea PR1 proteins. Based on these findings, we propose carbohydrate to be the unique pathogen-recognition feature for PR1 proteins and beta-glucanase activity via beta-glucan binding or modification.}, doi = {10.1002/prot.25361}, author = {Tellis, Meenakshi and Mathur, Monika and Gurjar, Gayatri and Kadoo, Narendra and Gupta, Vidya} } @article {43855, title = {Improved tolerance against helicoverpa armigera in transgenic tomato over-expressing multi-domain proteinase inhibitor gene from capsicum annuum}, journal = {Physiology and Molecular Biology of Plants}, volume = {23}, year = {2017}, month = {JUL}, pages = {597-604}, type = {Article}, abstract = {Plant proteinase inhibitors (PIs) are plant defense proteins and considered as potential candidates for engineering plant resistances against herbivores. Capsicum annuum proteinase inhibitor (CanPI7) is a multi-domain potato type II inhibitor (Pin-II) containing four inhibitory repeat domains (IRD), which target major classes of digestive enzymes in the gut of Helicoverpa armigera larvae. Stable integration and expression of the transgene in T1 transgenic generation, were confirmed by established molecular techniques. Protein extract of transgenic tomato lines showed increased inhibitory activity against H. armigera gut proteinases, supporting those domains of CanPI7 protein to be effective and active. When T1 generation plants were analyzed, they exhibited antibiosis effect against first instar larvae of H. armigera. Further, larvae fed on transgenic tomato leaves showed delayed growth relative to larvae fed on control plants, but did not change mortality rates significantly. Thus, better crop protection can be achieved in transgenic tomato by overexpression of multi-domain proteinase inhibitor CanPI7 gene against H. armigera larvae.}, doi = {10.1007/s12298-017-0456-5}, author = {Tanpure, Rahul S. and Barbole, Ranjit S. and Dawkar, Vishal V. and Waichal, Yashashree A. and Joshi, Rakesh S. and Giri, Ashok P. and Gupta, Vidya S.} } @article {43857, title = {Influence of preparation method on activity and stability of Ni catalysts supported on Gd doped ceria in dry reforming of methane}, journal = {Journal of CO2 Utilization}, volume = {20}, year = {2017}, month = {JUL}, pages = {357-367}, type = {Article}, abstract = {Nickel catalysts supported on Gd doped ceria (NGDC), with various Ni content, were prepared through different preparation routes and evaluated for dry reforming of methane (DRM). Their detailed characterization revealed that method of preparation plays an important role in Ni dispersion, with catalysts prepared through co-precipitation showing high Ni dispersion. The co-precipitated 12NGDC-cp catalyst with 12 wt\% NiO was found to be superior in terms of high CO2 and CH4 conversions compared to catalysts prepared through citrate gel or impregnation methods Even H-2 and CO yields are high on this catalyst, while it shows excellent durability with stable activity even after 100 h on-stream. Thermogravimetric analysis of spent catalyst showed presence of coke, with transmission electron microscopic studies pointing to the presence of Ni crystallites at the mouth of the carbon whiskers. These Ni crystallites appear to be still active for DRM reaction. Among the spent catalysts, the carbon formation was high on catalysts that have bigger Ni crystallites, with the catalysts prepared through impregnation and citrate gel methods having higher coke. Investigations also reveal that the conversion of active (amorphous) carbon into stable (graphitic) carbon depends on the Ni crystallite size, temperature and duration of the reaction. These studies demonstrate that Gd doped ceria is a good support for Ni, to obtain high DRM activity and very good on-stream stability provided the catalysts are prepared through an appropriate method.}, doi = {10.1016/j.jcou.2017.06.014}, author = {Gurav, Hanmant R. and Dama, Srikanth and Samuel, Violet and Chilukuri, Satyanarayana} } @article {43891, title = {Intensification of extraction of curcumin from Curcuma amada using ultrasound assisted approach: Effect of different operating parameters}, journal = {Ultrasonic Sonochemistry}, volume = {38}, year = {2017}, month = {SEP}, chapter = {437-445}, abstract = {

Curcumin, a dietary phytochemical, has been extracted from rhizomes of Curcuma amada using ultrasound assisted extraction (UAE) and the results compared with the conventional extraction approach to establish the process intensification benefits. The effect of operating parameters such as type of solvent, extraction time, extraction temperature, solid to solvent ratio, particle size and ultrasonic power on the extraction yield have been investigated in details for the approach UAE. The maximum extraction yield as 72\% was obtained in 1 h under optimized conditions of 35 degrees C temperature, solid to solvent ratio of 1:25, particle size of 0.09 mm, ultrasonic power of 250 W and ultrasound frequency of 22 kHz with ethanol as the solvent. The obtained yield was significantly higher as compared to the batch extraction where only about 62\% yield was achieved in 8 h of treatment. Peleg{\textquoteright}s model was used to describe the kinetics of UAE and the model showed a good agreement with the experimental results. Overall, ultrasound has been established to be a green process for extraction of curcumin with benefits of reduction in time as compared to batch extraction and the operating temperature as compared to Soxhlet extraction.

}, keywords = {Acrylamide, Cavitation, Curcumin Extraction, Design, Enhancement, Functionalized Silica, kinetics, Microwave, Nanoparticles, Natural-products, Optimization, Phenolic-compounds, Process Intensification, Solid-liquid Extraction, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2017.03.040}, author = {Shirsath, S. R. and Sable, S. S. and Gaikwad, S. G. and Sonawane, S. H. and Saini, D. R. and Gogate, P. R.} } @article {43777, title = {Interaction energy driven biased sampling technique: a faster route to ionization spectra in condensed phase}, journal = {Journal of Computational Chemistry}, volume = {38}, year = {2017}, month = {OCT}, pages = {2248-2257}, abstract = {We introduce a computationally efficient approach for calculating spectroscopic properties, such as ionization energies (IEs) in the condensed phase. Discrete quantum mechanical/molecular mechanical (QM/MM) approaches for spectroscopic properties in a dynamic system, such as aqueous solution, need a large sample space to obtain converged estimates, especially for the cases where particle (electron) number is not conserved, such as IEs or electron affinities (EAs). We devise a biased sampling technique based on an approximate estimate of interaction energy between the solute and solvent, that accelerates the convergence and therefore, reduces the computational cost significantly. The approximate interaction energy also provides a good measure of the spectral width of the chromophores in the condensed phase. This technique has been tested and benchmarked for (i) phenol, (ii) HBDI anion (hydroxybenzylidene dimethyl imidazolinone), and (iii) thymine in water. (c) 2017 Wiley Periodicals, Inc.}, doi = {10.1002/jcc.24875}, author = {Bose, Samik and Ghosh, Debashree} } @article {43797, title = {Intramolecular ipso-arylative cyclization of aryl-alkynoates and N-arylpropiolamides with aryldiazonium salts through merged gold/visible light photoredox catalysis}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {AUG}, pages = {9081-9084}, type = {Article}, abstract = {A visible-light-promoted merged gold/photoredox catalyzed ipsoarylative cyclization has been reported. For instance, the reaction of aryl-alkynoates and N-arylpropiolamides with aryldiazonium salts in the presence of catalytic amounts of [(4-OCH3)C6H4](3)PAuCl and Ru(bpy)(3)(PF6)(2) under irradiation using a 32WCFL bulb gave arylated spirocarbocycles in moderate to good yields.}, doi = {10.1039/c7cc04010e}, author = {Bansode, Avinash H. and Shaikh, Samir R. and Gonnade, Rajesh G. and Patil, Nitin T.} } @article {43942, title = {Investigation into the taxonomy of {\textquotedblleft} B. aminovorans{\textquotedblright} and its reclassification to the genus Domibacillus as Domibacillus aminovorans sp. nov.}, journal = {Systematic and Applied Microbiology}, volume = {40 }, year = {2017}, month = {AUG}, pages = {458-467}, type = {Article}, abstract = {The species "Bacillus aminovorans" was categorized as species Incertae Sedis meaning taxa with uncertain taxonomic position because of insufficient description of phenotypic properties and lack of understanding of its phylogenetic relationship (Claus and Berkeley [5]). In this study two strains "B. aminovorans" DSM 1314T and DSM 4337 were phenotypically and phylogenomically analyzed. The strains are Gram-staining-positive, spore forming rods and unable to utilize/ferment most of the sugars tested except glucose. The major fatty acids are anteiso-C15:0 and iso-C15:0. The major polar lipids are diphosphatidylglycerol, phosphatidylglycerol and an aminophosphoglycolipid. The cell wall peptidoglycan is of A1γ type with meso-Dpm as the diamino acid. The menaquinone type present is MK-6. The G+C content of the genomic DNA of the type strain is 40.8mol\%. These characteristics were found to be in line with description of the genus Domibacillus. Moreover phylogenetic analysis based on 16S rRNA gene sequence retrieved "B. aminovorans" within the genus Domibacillus with D. antri XD 80T as the closest relative. Additionally genome sequencing of the strains and their comparison with whole genome sequences of other Domibacillus spp. confirmed their distinctiveness and separate species status within the genus based on parameters of genome to genome distance calculator (GGDC) and average nucleotide identity (ANI) values. Therefore a novel species Domibacillus aminovorans sp. nov. (DSM 1314T =LMG 16796T) is proposed.}, keywords = {16S rRNA, Domibacillus aminovorans, MALDI-TOF, {\textquoteleft}{\textquoteleft}Bacillus aminovorans{\textquoteright}{\textquoteright}}, issn = {0723-2020}, doi = {10.1016/j.syapm.2017.07.003}, author = {Verma, Ashish and Ojha, Anup Kumar and Pal, Yash and Kumari, Parveen and Schumann, Peter and Gruber-Vodicka, Harald and Dastager, Syed Gulam and Natarajan, Ramesh Kumar and Mayilraj, Shanmugam and Krishnamurthi, Srinivasan} } @article {43459, title = {Investigation of the biocompatibility and cytotoxicity associated with ROP initiator and its role in bulk polymerization of L-lactide}, journal = {Polymer}, volume = {111}, year = {2017}, month = {FEB}, pages = {244-251}, abstract = {Poly (L-lactide) (PLLA) is one of the most attractive polymers for use in biomedical applications. In such applications it is necessary to reduce the use of toxic chemicals and catalysts used in PLLA synthesis, to minimize any adverse effects. In view of this, we have performed ring opening polymerization (ROP) of Llactide (LA) using biocompatible initiator, namely, Zinc L-Proline (ZnP) in bulk. High molecular weight PLLA (Mw up to 1.45 x 10(5) Da) was obtained using the ZnP complex. The ZnP complex is safe, easy to prepare, store and handle. H-1 and C-13 NMR spectra of PLLA were used to determine the extent of monomer conversion and stereo sequence respectively. Differential Scanning Calorimetry (DSC) and Size Exclusion Chromatography (SEC) were used to determine thermal properties, Mn, Mw and polydispersity index respectively. The mechanism of ROP of LA in the presence of ZnP was studied using Density Functional Theory (DFf) which was in good agreement with results from H-1 NMR and Matrix-Assisted Laser Desorption/Ionization Spectrometry (MALDI-TOF). Biocompatibility/non toxicity of PLLA prepared using ZnP was studied in-vitro using MTT assay by examining the proliferation rate of mouse myoblast C2C12 cell line. Escherichia coli and Staphylococcus aureus were used for the study of antibacterial activity of PLLA. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.polymer.2017.01.058}, author = {Parwe, Sharad P. and Warkad, Shrikant D. and Mane, Manoj V. and Shedage, Pranita S. and Garnaik, Baijayantimala} } @article {43847, title = {Ionic strength-dependent changes in tentacular ion exchangers with variable ligand density. II. functional properties}, journal = {Journal of Chromatography A}, volume = {1506}, year = {2017}, month = {JUL}, pages = {55-64}, type = {Article}, abstract = {The effect of ligand density was studied on protein adsorption and transport behavior in tentacular cation-exchange sorbents at different ionic strengths. Results were obtained for lysozyme, lactoferrin and a monoclonal antibody (mAb) in order to examine the effects of protein size and charge. The combination of ligand density and ionic strength results in extensive variability of the static and dynamic binding capacities, transport rate and binding affinity of the proteins. Uptake and elution experiments were performed to quantify the transport behavior of selected proteins, specifically to estimate intraparticle protein diffusivities. The observed trend of decreasing uptake diffusivities with an increase in ligand density was correlated to structural properties of the ligand-density variants, particularly the accessible porosity. Increasing the ionic strength of the equilibration buffer led to enhanced mass transfer during uptake, independent of the transport model used, and specifically for larger proteins like lactoferrin and mAb, the most significant effects were evident in the sorbent of the highest ligand density. For lysozyme, higher ligand density leads to higher static and dynamic binding capacities whereas for lactoferrin and the mAb, the binding capacity is a complex function of accessible porosity due to ionic strength-dependent changes. Ligand density has a less pronounced effect on the elution rate, presumably due to ionic strength dependent changes in the pore architecture of the sorbents. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.chroma.2017.05.021}, author = {Shambure, Rahul and Angelo, James M. and Gillespie, Christopher M. and Phillips, Michael and Graalfs, Heiner and Lenhoff, Abraham M.} } @article {43461, title = {Iron complex catalyzed selective C-H bond oxidation with broad substrate scope}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {FEB}, pages = {746-749}, abstract = {

The use of a peroxidase-mimicking Fe complex has been reported on the basis of the biuret-modified TAML macrocyclic ligand {\textquoteright}framework (Fe-bTAML) as a catalyst to perform selective oxidation of unactivated 3 degrees C-H bonds and activated 2 degrees C-H bonds with low catalyst loading (1 mol \%) and high product yield (excellent mass balance) under near neutral conditions and broad substrate scope (18 substrates which includes arenes, heteroaromatics, and polar functional groups). Aliphatic C-H oxidation of 3 and 2 sites of complex substrates was achieved with predictable selectivity using steric, electronic, and stereoelectronic rules that govern site selectivity, which included oxidation of (+)-artemisinin to (+)-10 beta-hydroxyartemisinin. Mechanistic studies indicate Fe-V(O) to be the active oxidant during these reactions.

}, doi = {10.1021/acs.orglett.6b03359}, author = {Jana, Sandipan and Ghosh, Munmun and Ambule, Mayur and Sen Gupta, Sayam} } @article {43660, title = {Isolation and characterization of 9-lipoxygenase and epoxide hydrolase 2 genes: insight into lactone biosynthesis in mango fruit (Mangifera indica L.)}, journal = {Phytochemistry}, volume = {138}, year = {2017}, month = {JUN}, pages = {65-75}, abstract = {Uniqueness and diversity of mango flavour across various cultivars are well known. Among various flavour metabolites lactones form an important class of aroma volatiles in certain mango varieties due to their ripening specific appearance and lower odour detection threshold. In spite of their biological and biochemical importance, lactone biosynthetic pathway in plants remains elusive. Present study encompasses quantitative real-time analysis of 9-lipoxygenase (Mi9LOX), epoxide hydrolase 2 (MiEH2), peroxygenase, hydroperoxide lyase and acyl-CoA-oxidase genes during various developmental and ripening stages in fruit of Alphonso, Paid and Kent cultivars with high, low and no lactone content and explains their variable lactone content. Study also covers isolation, recombinant protein characterization and transient over-expression of Mi9LOX and MiEH2 genes in mango fruits. Recombinant Mi9LOX utilized linoleic and linolenic acids, while MiEH2 utilized aromatic and fatty acid epoxides as their respective substrates depicting their role in fatty acid metabolism. Significant increase in concentration of delta-valerolactone and gamma-decalactone upon Mi9LOX over-expression and that of delta-valerolactone, gamma-hexalactone and delta-hexalactone upon MiEH2 over-expression further suggested probable involvement of these genes in lactone biosynthesis in mango. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.phytochem.2017.03.002}, author = {Deshpande, Ashish B. and Chidley, Hemangi G. and Oak, Pranjali S. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @inbook {45814, title = {Kinetic model for extraction of betulinic acid by batch extraction from leaves of syzygium cumini (Jamun)}, booktitle = {Novel Water treatment and separation methods: simulation of chemical processew}, year = {2017}, pages = {179-190}, publisher = {Apple Academic Press}, organization = {Apple Academic Press}, chapter = {Kinetic model for extraction of betulinic acid by batch extraction from leaves of syzygium cumini (Jamun)}, abstract = {

Plants are one of the most important sources of medicines. Syzygium cumini known as {\textquotedblleft}jamun{\textquotedblright} in Hindi which is found in throughout India. The leaves are having promising therapeutic value with its various phyto constituents such as tannin, alkaloids, flavonoids, terpenoids, fatty acid, phenol, minerals, carbohydrates, and vitamins. All these phyto constituents are analyzed by qualitative analysis method. Betulinic acid is a naturally occurring pentacyclic triterpenoid compound. The medicinal application of betulinic acid is available for diabetes, cancer cell, and HIV. Betulinic acid shows more solubility for methanol. For extraction of betulinic acid, different extraction techniques like batch extraction and Soxhlet extraction techniques are used. The effect of various parameters like particle size, agitations speed, temperature, and solid loading is studied. To explain the extraction of biological material from plant sources different model equations are used which describes sorption isotherms of material. The experimental data of solid loading and temperature are best fitted by using second order Peleg{\textquoteright}s model. From this model the linearized Arrhenius equation was obtained and temperature dependency was 0.567 kJ/mol. The aim of this study is to find out the best kinetic model for extraction and experimental data shows the good agreement of betulinic acid with methanol which justifies batch extraction process.

}, doi = {10.1201/9781315225395}, author = {Admane, S. V. and Gaikwad, S. G. and Chavan, S. M.} } @article {43875, title = {Lewis acid catalyzed cascade annulation of alkynols with alpha-ketoesters: a facile access to gamma-spiroketal-gamma-lactones}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUN}, pages = {6641-6644}, type = {Article}, abstract = {A novel Lewis acid catalyzed intermolecular cascade annulation of alkynols with alpha-ketoesters has been developed. This simple and efficient cascade annulation proceeds through a 5-exo-dig cyclization of alkynols followed by annulation with alpha-ketoester to provide a wide variety of unsaturated gamma-spiroketal-gamma-lactones (1,6-dioxaspiro[4.4]non-3-en-2-ones) related to many natural products.}, doi = {10.1039/c7cc03668j}, author = {Kambale, Digambar A. and Thorat, Sagar S. and Pratapure, Madhukar S. and Gonnade, Rajesh G. and Kontham, Ravindar} } @article {43823, title = {Low-dimensional hybrid perovskites as high performance anodes for alkali-ion batteries}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {SEP}, chapter = {18634-18642}, abstract = {

State-of-the-art Li (or Na) ion batteries work by insertion/extraction of the alkali metal ions into a porous electrode material, where the overall capacity is strongly dependent on the accessibility of the host material interior to the ions. On the other hand, the performance stability depends on various factors governed by the specific constitution of the electrode. Here we show that molecularly engineered low-dimensional hybrid perovskites can work as excellent anode materials for alkali-ion batteries. We measure a high reversible capacity of 646 mA h g(-1) at 100 mA g(-1) with good stability tested up to 250 cycles for the benzidine mediated lead iodide based 1D system. An ex situ analysis of the electrodes reveals that the storage primarily occurs via the Li-x(or Na-x)Pb alloying/de-alloying process. We anticipate that these results open a new direction for the use of low-dimensional hybrid perovskites for energy storage applications.

}, keywords = {Generation, Inorganic-Organic Hybrid, Lead Iodide, lithiation-intramolecular electrophilic reaction, Na-Air Battery, Negative Electrodes, Organometal Halide perovskites, PB, Sequential Deposition, Solar-cells}, issn = {2050-7488}, doi = {10.1039/c7ta04529h}, author = {Tathavadekar, Mukta and Krishnamurthy, Shrreya and Banerjee, Aparna and Nagane, Satyawan and Gawli, Yogesh and Suryawanshi, Anil and Bhat, Suresh and Puthusseri, Dhanya and Mohite, Aditya D. and Ogale, Satishchandra} } @article {43790, title = {Mapping architectural and transcriptional alterations in non-lesional and lesional epidermis in vitiligo}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {AUG}, type = {Article}, abstract = {In vitiligo, chronic loss of melanocytes and consequent absence of melanin from the epidermis presents a challenge for long-term tissue maintenance. The stable vitiligo patches are known to attain an irreversible depigmented state. However, the molecular and cellular processes resulting in this remodeled tissue homeostasis is unclear. To investigate the complex interplay of inductive signals and cell intrinsic factors that support the new acquired state, we compared the matched lesional and non-lesional epidermis obtained from stable non-segmental vitiligo subjects. Hierarchical clustering of genome-wide expression of transcripts surprisingly segregated lesional and non-lesional samples in two distinct clades, despite the apparent heterogeneity in the lesions of different vitiligo subjects. Pathway enrichment showed the expected downregulation of melanogenic pathway and a significant downregulation of cornification and keratinocyte differentiation processes. These perturbations could indeed be recapitulated in the lesional epidermal tissue, including blunting of rete-ridges, thickening of stratum corneum and increase in the size of corneocytes. In addition, we identify marked increase in the putrescine levels due to the elevated expression of spermine/spermidine acetyl transferase. Our study provides insights into the intrinsic self-renewing ability of damaged lesional tissue to restore epidermal functionality in vitiligo.}, doi = {10.1038/s41598-017-10253-w}, author = {Singh, Archana and Gotherwal, Vishvabandhu and Junni, Paivi and Vijayan, Vinaya and Tiwari, Manisha and Ganju, Parul and Kumar, Avinash and Sharma, Pankaj and Fatima, Tanveer and Gupta, Aayush and Holla, Ananthaprasad and Kar, Hemanta K. and Khanna, Sangeeta and Thukral, Lipi and Malik, Garima and Natarajan, Krishnamurthy and Gadgil, Chetan J. and Lahesmaa, Riitta and Natarajan, Vivek T. and Rani, Rajni and Gokhale, Rajesh S.} } @article {44139, title = {Mass spectrometry based identification of galectin-3 interacting proteins potentially involved in lung melanoma metastasis}, journal = {Molecular Biosystems}, volume = {13}, year = {2017}, month = {NOV}, pages = {2303-2309}, type = {Article}, abstract = {Adhesive interactions between molecules on tumor cells and those on target organs play a key role in organ specific metastasis. Poly-N-acetyl-lactosamine (polyLacNAc) substituted N-oligosaccharides on melanoma cell surface glycoproteins promote lung specific metastasis via galectin-3 by facilitating their arrest and extravasation. This study reports the identification and characterization of galectin-3 interacting proteins using a combination of galectin-3 sepharose affinity and leucoagglutinating phytohemagglutinin (L-PHA) columns. A total of 83 proteins were identified as galectin-3 interacting glycoproteins, of which 35 were constituents of the L-PHA bound fraction, suggesting that these proteins carry polyLacNAc substituted beta 1,6 branched N-glycans. The identities of some of these proteins, like LAMP-1, LAMP-3, basigin, embigin, and alpha 5 and beta 1 Integrin, have been confirmed by western blotting, and functional relevance with respect to metastatic properties has been established.}, doi = {10.1039/c7mb00260b}, author = {Dange, Manohar C. and Bhonsle, Hemangi S. and Godbole, Rashmi K. and More, Shyam K. and Bane, Sanjay M. and Kulkarni, Mahesh J. and Kalraiya, Rajiv D.} } @article {43358, title = {Mechanistic aspects of wet and dry CO oxidation on Co3O4 nanorod surfaces: a NAP-UPS study}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {MAR}, pages = {828-834}, type = {Jouranl Article}, abstract = {

Catalytic activity, electronic structure, and the mechanistic aspects of Co3O4 nanorod (NR) surfaces have been explored for CO oxidation in dry and wet atmosphere using near-ambient pressure ultraviolet photoelectron spectroscopy. Presence of water with CO + O2 plummets the catalytic activity because of the change in the electronic nature from predominantly oxide (without water in feed) to a Co3O4 surface covered by a few intermediates. However, at >=375 K, the Co3O4 surface recovers and regains the oxidation activity, at least partially, even in the presence of water. This is fully supported by the changes observed in the work function of Co3O4 under wet (H2O + CO + O2) conditions compared with dry (CO + O2) conditions. This study focuses on the comparative CO oxidation rate on Co3O4 NR surfaces and highlights the changes in the electronic structure that occur in the catalyst during the CO oxidation reaction.

}, keywords = {Catalyst, Nano Structures, Power X-Ray Diffraction, spectra, Water Vapor}, doi = {10.1021/acsomega.6b00471}, author = {Ruchi Jain and Gnanakumar, Edwin S. and Gopinath, Chinnakonda S.} } @article {44169, title = {Metallic cobalt to spinel Co3O4-electronic structure evolution by near-ambient pressure photoelectron spectroscopy}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {OCT}, pages = {21472-21481}, type = {Article}, abstract = {

In the present study, valence band (VB) and core level photoelectron spectroscopy was carried out to investigate the electronic structural changes from polycrystalline Co to spinel Co3O4, via CoO at near ambient pressures (NAP; similar to 0.1). O-2 Co and H-2-CoOx gas solid oxidative and reductive interactions, respectively, have been explored with UV photons (He I) or low kinetic energy electrons (\<= 16 eV) under NAP conditions. Typical VB features of Co metal, CoOx Co3O4, and a mixed phase between any two adjacent features were observed and well corroborated with core level changes. Very significant and characteristic changes were observed with Co 3d features in the VB for each stage from Co oxidation to Co3O4 as well as Co3O4 reduction to CoOx Co(3O)4 and CoO can be reversibly obtained by alternating the conditions between 0.1 mbar of H-2 at 650 K and 0.1 mbar of O 2 at 400 K, respectively. A meaningful correlation is observed between the changes in work function with cation oxidation state; small changes in the stoichiometry can strongly influence the shift in Fermi level and changes in work function under NAP conditions. Reversible work function changes are observed at a constant BE (similar to 5 ev) between oxidation and reduction conditions. While the O 2 p derived feature for CoOx was observed at throughout the redox conditions, the Co 3d band and molecular oxygen or hydrogen vibration feature shifts significantly underscoring the physicochemical changes, such as charge transfer energy and hence changes in satellite intensity. The peak close to E-F originated from the 3d(6)L final state of the octahedral Co3+ 3d band of Co3O4.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b06661}, author = {Reddy, Kasala Prabhakar and Jain, Ruchi and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S.} } @inbook {45780, title = {Microwave-assisted extraction of carvone from carum carvi}, booktitle = {Novel water treatment and separation methods simulation of chemical processes}, year = {2017}, pages = {356}, publisher = {CRC Press}, organization = {CRC Press}, edition = {1 }, chapter = {Microwave-assisted extraction of carvone from carum carvi}, address = {New York}, abstract = {

Due to increasing demand for potable and irrigation water, new scientific research is being conducted to deal with wastewater from a variety of sources. Novel Water Treatment and Separation Methods: Simulation of Chemical Processes presents a selection of research related to applications of chemical processes for wastewater treatment, separation techniques, and modeling and simulation of chemical processes. Among the many topics are: degradation of herbicide removal of anionic dye efficient sun-light driven photocatalysis removal of copper and iron using green activated carbon defluoridation of drinking water removal of calcium and magnesium from wastewater using ion exchange resins degradation of vegetable oil refinery wastewater novel separation techniques, including microwave-assisted extraction and more The volume presents selected examples in wastewater treatment, highlighting some recent examples of processes such as photocatalytic degradation, emulsion liquid membrane, novel photocatalyst for degradation of various pollutants, and adsorption of heavy metals. The book goes on to explore some novel separation techniques, such as microwave-assisted extraction, anhydrous ethanol through molecular sieve dehydration, batch extraction from leaves of Syzygium cumini (known as jambul, jambolan, jamblang or jamun), and reactive extraction. These novel separation techniques have proved be advantageous over conventional methods. The volume also looks at modeling and simulation of chemical processes, including chapters on flow characteristics of novel solid-liquid multistage circulating fluidized bed, mathematical modeling and simulation of gasketed plate heat exchangers, optimization of the adsorption capacity of prepared activated carbon, and modeling of ethanol/water separation by pervaporation, along with topics on simulation using CHEMCAD software.

}, isbn = {978-177188578-2}, issn = {978-1771885782}, doi = {10.1201/9781315225395}, author = {Borole, O. D. and Shirsath, S. R. and Gaikwad, S. G.} } @article {43794, title = {Microwave-assisted synthesis of 5-substituted 1H-tetrazoles via [3+2] cycloaddition over a heterogeneous Cu-based catalyst: application to the preparation of N-13-labelled tetrazoles}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {AUG}, pages = {8084-8091}, type = {Article}, abstract = {The [3+2] cycloaddition between various nitriles and sodium azide proceeds smoothly in the presence of a new Cu-II catalyst in N-methyl-2-pyrrolidone (NMP) to give the corresponding 5-substituted 1H-tetrazoles. The desired tetrazoles were obtained in high yields within 3-30 min by employing controlled microwave heating. The reaction most probably proceeds through the activation of the nitrile groups by the Cu-II species, followed by a successive [3+2] cycloaddition with the sodium azide. The good performance of the catalyst enabled the preparation of selected tetrazoles labelled with the positron emitter nitrogen-13 even under conventional heating. The short reaction time, simple work-up procedure, and recyclability of the catalyst are advantages of the method reported here.}, doi = {10.1039/c7nj00568g}, author = {Joshi, Sameer M. and Mane, Rasika B. and Pulagam, Krishna R. and Gomez-Vallejo, Vanessa and Llop, Jordi and Rode, Chandrashekhar} } @article {43878, title = {Mixed-stack charge transfer crystals of pillar[5]quinone and tetrathiafulvalene exhibiting ferroelectric features}, journal = {Chemistry- A European Journal }, volume = {23}, year = {2017}, month = {SEP}, chapter = {12630-12635}, abstract = {

Ferroelectric materials find extensive applications in the fabrication of compact memory devices and ultra-sensitive multifunctional detectors. Face-to-face alternate stacking of electron donors and acceptors effectuate long-range unidirectional ordering of charge-transfer (CT) dipoles, promising tunable ferroelectricity. Herein we report a new TTF-quinone system-an emerald green CT complex consisting pillar[5]quinone (P5Q) and tetrathiafulvalene (TTF). The CT crystals, as determined by single crystal synchrotron X-ray diffraction, adopt a 1:1 mixed-stack arrangement of donor and acceptor with alternating dimers of TTF and 1,4-dioxane encapsulated P5Q. The TTF-P5Q.dioxane crystal possesses a macroscopic polarization axis giving rise to ferroelectricity at room temperature. The CT complex manifests ferroelectric features such as optical polarization rotation, temperature-dependent phase transition and piezoelectric response in single crystals. Ferroelectric behavior observed in P5Q-based CT complex widens the scope for further work on this structurally intriguing and readily accessible cyclic pentaquinone.

}, keywords = {Acceptor, Charge-transfer complexes, Chemistry, Conductors, DDQ, Donor, ferroelectric, Macrocycles, Organic Metals, Pi-interaction, Pillar[5]quinone, salts, Transfer Complexes, Transport}, issn = {0947-6539}, doi = {10.1002/chem.201702577}, author = {Shivakumar, Kilingaru I. and Swathi, Kadaba and Goudappagouda and Das, Tamal C. and Kumar, Ashwani and Makde, Ravindra D. and Vanka, Kumar and Narayan, Kavassery S. and Babu, Sukumaran Santhosh and Sanjayan, Gangadhar J.} } @article {44114, title = {Modular approach towards functionalized highly stable self-complementary quadruple hydrogen bonded systems}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {DEC}, pages = {10087-10094}, type = {Article}, abstract = {Self-complementary quadruple hydrogen bonded systems have shown potential as key building blocks for developing various supramolecular polymers. Opportunities for the introduction of multiple functionalities would further augment, in principle, their application potential. Herein, we report a novel modular approach to simultaneously introduce two closely aligned side chains into AADD-type self-complementary quadruple hydrogen-bonding systems. Dithiane-tethered ureidopyrimidinone has been used as a reactive intermediate to efficiently attach closely aligned side chains by simply reacting with amines to form highly stable molecular duplexes. These duplexes featuring AADD-type arrays of hydrogen bonding codes are highly stable in non-polar solvents (K-dim > 1.9 x 10(7) M-1 in CDCl3) as well as in polar solvents (K-dim > 10(5) in 10\% DMSO-d(6)/CDCl3). Another notable feature of these self-assembling systems is their insensitivity to prototropy-related issues owing to their prototropic degeneracy, which will enhance their application potential in supramolecular chemistry.}, doi = {10.1039/c7ob02358h}, author = {Rayavarapu, Suresh and Kheria, Sanjeev and Shinde, Dinesh R. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @inbook {43983, title = {Molecular methods for identification of clostridium tetani by targeting neurotoxin}, booktitle = {Methods Molecular Biology}, volume = {1600}, year = {2017}, pages = {37-47}, abstract = {Tetanus is a potentially fatal muscle spasm disease. It is an important public health problem, especially in rural/tribal areas of developing countries. Tetanus toxin, a neurotoxin (tetanospasmin ), is the most important virulence factor that plays a key role in the pathogenicity of tetanus . Confirmation of virulence by confirming the production of tetanospasmin by infecting species forms the most important part in the diagnosis of tetanus . Various molecular methods have been devised for confirmation of diagnosis by targeting different genes. The most common molecular methods are tetanospasmin producing (TetX) gene-targeted methods using TetX-specific primers. Here, we describe various molecular methods targeting TetX gene such as polymerase chain reaction, pulsed-field gel electrophoresis, Southern blotting, loop-mediated isothermal amplification assay, etc. to confirm the virulence of Cl. tetani.}, doi = {10.1007/978-1-4939-6958-6_4}, author = {Dharne, Mahesh S. and Nagoba, Basavraj S. and Gohil, Kushal N.} } @article {43941, title = {Multilocus sequence typing of Ochrobactrum spp. isolated from gastric niche}, journal = {Journal of Infection and Public Health }, volume = {10}, year = {2017}, month = {MAR-APR}, pages = {201-210}, type = {Journal Article}, abstract = {The human stomach is colonized by diverse bacterial species. The presence of non-Helicobacter pylori bacteria in urease-positive biopsies of individuals has been reported. Bacteria belonging to the Ochrobactrum genus have been documented in the human gastric niche. The co-occurrence of Ochrobactrum spp. with H. pylori was previously reported in an antral biopsy of a non-ulcer dyspeptic (NUD) subject from Northern India. There is no information on the genetic diversity of Ochrobactrum spp. isolated from the gastric niche in the stomach. We aimed to study the species distribution and diversity of Ochrobactrum spp. with and without H. pylori in urease-positive biopsies across three different geographical regions in India. Sixty-two Ochrobactrum isolates recovered from patients with an upper gastric disorder (n=218) were subjected to molecular identification and multilocus sequence typing. H. pylori DNA was found in the majority of biopsies, which had a variable degree of Ochrobactrum spp present. Interestingly, some of the urease-positive biopsies only had Ochrobactrum without any H. pylori DNA. Based on phylogenetic analysis, the Ochrobactrum isolates were distributed into the O. intermedium, O. anthropi and O. oryzae groups. This indicates there are multiple species in the gastric niche irrespective of the presence or absence of H. pylori. Antibiotyping based on colistin and polymyxin B could differentiate between O. intermedium and O. anthropi without revealing the resistance-driven diversity. Considering the prevalence of multiple Ochrobactrum spp. in the human gastric niche, it is important to evaluate the commensal and/or pathogenic nature of non-H. pylori bacteria with respect to their geographical distribution, lifestyle and nutrition needs.}, keywords = {Helicobater Pyroli, MLST, Non-Ulcer Dyspepsia, Ochrobactrum}, doi = {10.1016/j.jiph.2016.04.013}, author = {Kulkarni, Girish}, editor = {Gohil, Kushal} } @article {43976, title = {Multi-mode hydrogen storage in nanocontainers}, journal = {International Journal of Hydrogen Energy}, volume = {42}, year = {2017}, month = {AUG}, pages = {24256-24262}, type = {Article}, abstract = {Hydrogen can be stored in containers or in materials (in molecular or atomic forms). The atomic form can further exist as multiple phases. Molecular hydrogen can be adsorbed on the surface or can be present inside the material. By invoking multiple modes of hydrogen storage, we establish a paradigm shift in the philosophy of hydrogen storage. Using a novel strategy of storage of molecular hydrogen in metal (Pd) nanocontainers, we observe that 18\% hydrogen is in molecular form. Interestingly, this is achieved at 25 {\textdegree}C and 1 atm pressure; which is in contrast to storage in MOFs and carbonaceous materials like nanotubes. Enhancement in storage capacity as compared to Pd nanocrystals of the same mass is observed (36\% increase at 1 atm \& 25 {\textdegree}C), along with fast kinetics (0.5 wt\% hydrogen absorption in 5 s). A new mechanism for hydrogen storage involving the dual catalytic role of Pd is established.}, doi = {10.1016/j.ijhydene.2017.07.233}, author = {Shervani, Suboohi and Mukherjee, Puspal and Gupta, Anshul and Mishra, Gargi and Illath, Kavya and Ajithkumar, Thallaseril G. and Sivakumar, Sri and Sen, Pratik and Balani, Kantesh and Subramaniam, Anandh} } @article {43171, title = {Multiple functionalities of Ni nanoparticles embedded in carboxymethyl guar gum polymer: catalytic activity and superparamagnetism}, journal = {Applied Surface Science}, year = {2017}, month = {JAN}, abstract = {Composites comprising of metallic nanoparticles in polymer matrices have allured significant importance due to multifunctionalities. Here a simple protocol has been described to embed Ni nanoparticles in carboxymethyl guar gum (CMGG) polymer. The composite formation helps in the stabilization of Ni nanoparticles which are otherwise prone towards aerial oxidation. Further the nanoparticles retain their superparamagnetic nature and catalytic capacity. Ni-Polymer composite catalyses the reduction of 4-Nitrophenol to 4-Aminophenol very efficiently in presence of NaBH4, attaining a complete conversion under some experimental conditions. Ni-Polymer composite is well characterized using UV{\textendash}vis spectroscopy, FTIR, XPS, powder XRD, TGA, SEM and TEM. A detailed magnetic measurement using superconducting quantum interference device-vibrating sample magnetometer (SQUID-VSM) reveals superparamagnetic behaviour of the composite.}, author = {Sardar, Debasmita and Sengupta, Manideepa and Bordoloi, Ankur and Ahmed, Md. A. and Neogi, S. K. and Bandyopadhyay, Sanjoy and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {43872, title = {Multipronged quantitative proteomics reveals serum proteome alterations in breast cancer intrinsic subtypes}, journal = {Journal of Proteomics}, volume = {163}, year = {2017}, month = {JUN}, pages = {1-13}, type = {Article}, abstract = {Being molecularly heterogeneous, breast cancer tends to be a complicated oncological disease with high incidence rates throughout the world. The primary aim of this study was to identify the set of serum proteins with discriminatory capabilities towards the four major subtypes of breast cancer. We employed multipronged quantitative proteomic approaches like 2D-DIGE, iTRAQ and SWATH-MS and identified 307 differentially regulated proteins. Luminal A subtype consisted of 24, Luminal B subtype 38, HER2 Enriched subtype 17 and Triple negative breast cancer subtype 10 differentially regulated subtype specific proteins. These specific proteins were further subjected to bioinformatic tools which revealed the involvement in platelet degranulation, fibrinolysis, lipid metabolism, immune response, complement activation, blood coagulation, glycolysis and cancer signaling pathways in the subtypes of the breast cancer. The significant discrimination efficiency of the models generated through multivariate statistical analysis was decent to distinguish each of the four subtypes from controls. Further, some of the statistically significant differentially regulated proteins were verified and validated by immunoblotting and mass spectrometry based selected reaction monitoring (SRM) approach. Our Multipronged proteomics approaches revealed panel of serum proteins specifically altered for individual subtypes of breast cancer. The mass spectrometry data are available via ProteomeXchange with identifier PXD006441. Biological significance: Worldwide, breast cancer continues to be one of the leading causes of cancer related deaths in women and it encompasses four major molecular subtypes. As breast cancer treatment majorly depends on identification of specific subtype, it is important to diagnosis the disease at subtype level. Our results using multipronged quantitative proteomics identified 307 differentially regulated proteins in which 24 were specific for Luminal A, 38 for Luminal B, 17 for HER2 enriched and 10 proteins were specific for TN subtype. Bioinformatic analysis of these proteins revealed certain biological processes and pathways altered at subtype level and validation experiments of some of these proteins using immunoblotting and SRM assays are consistent with discovery data. This is the first comprehensive proteomic study on serum proteome alterations at subtype level which will not only help to distinguish subtype of breast cancer but also contribute to a better understanding of the molecular characteristic of breast cancer at individual subtype level. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jprot.2017.05.007}, author = {Gajbhiye, Akshada and Dabhi, Raju and Taunk, Khushman and Jagadeeshaprasad, Mashanipalya G. and RoyChoudhury, Sourav and Mane, Anupama and Bayatigeri, Santhakumari and Chaudhury, Koel and Santra, Manas K. and Rapole, Srikanth} } @article {45676, title = {Multiscale modelling: hybrid quantum mechanics/molecular mechanics as an example and some recent developments}, journal = {Current Science}, volume = {112 }, year = {2017}, month = {APR}, pages = {1455-1462}, type = {Article}, abstract = {Most of the physical phenomena are multiscale in nature and therefore, to depict it properly one requires multiscale modelling techniques, i.e. physical models that are accurate over multiple length and time scales. The seminal work by Warshel and Levitt marks the beginning of hybrid quantum mechanics/molecular mechanics (QM/MM) method as a successful strategy towards the understanding of chemistry and physics in condensed phases and especially in biological systems. Recently, these methods have been extended to problems such as light-matter interaction, where the QM sub-system is excited from the ground to the excited states. The MM environment provides a field that changes the potential energy landscape of both the ground and excited states in a distinctly different way. In this review, we discuss the general strategy of multiscale modelling with emphasis on hybrid QM/MM and the recent developments in excited state QM/MM methods.}, doi = {10.18520/cs/v112/i07/1455-1462}, author = {Ghosh, Debashree} } @article {43352, title = {N - heterocyclic - carbene - catalyzed umpolung of imines}, journal = {Angewandte Chemie International Edition}, volume = {56}, year = {2017}, month = {MAR}, pages = {2730 - 2734}, type = {Article}, abstract = {

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

}, doi = {10.1002/anie.201611268}, author = {Patra, Atanu and Mukherjee, Subrata and Das, Tamal Kanti and Jain, Shailja and Gonnade, Rajesh Ghanshyam and Biju, Akkattu T.} } @article {43824, title = {Nanocrystalline Fe-Fe2O3 particledeposited N-doped graphene as an activity-modulated Pt-free electrocatalyst for oxygen reduction reaction}, journal = {Nanoscale}, volume = {9}, year = {2017}, month = {SEP}, pages = {13341-13342}, type = {Article}, issn = { 2040-3364}, doi = {10.1039/c7nr90179h}, author = {Dhavale, Vishal M. and Singh, Santosh K. and Nadeema, Ayasha and Gaikwad, Sachin S. and Kurungot, Sreekumar} } @article {43718, title = {Nanoparticle assembly: a perspective and some unanswered questions}, journal = {Current Science}, volume = {112}, year = {2017}, month = {APR}, pages = {1635-1641}, type = {Article}, abstract = {In early 2016, the Royal Society of Chemistry arranged a meeting on the topic {\textquoteright}Nanoparticle Assemblies: from Fundamentals to Applications{\textquoteright} which was hosted at IIT-Bombay, Mumbai. The meeting brought several leading nanoscience and nanotechnology researchers to India and is only the second Faraday Discussions meeting to have been held in the country. The papers presented at the meeting and the resulting active discussions have been summarized in a Faraday Discussion issue(1). The broad range of topics discussed at the meeting led to an understanding on where we stand in the field of nanoparticle assembly, and also enunciated some of the outstanding fundamental and practical issues that remain to be resolved before these ideas can be applied to practical situations. Driven by these ideas, here we focus on four topics/questions: (i) Can we achieve function-driven design of nanoparticle assemblies? (ii) What is the minimal information needed to build a desired assembly? (iii) How complex a structure can one build? How can one make it responsive? What are the relative roles of equilibrium versus dynamics in the assembly process, and are we at a point where we can now pursue active assembly as a viable mode for creating complex assemblies? (iv) What are the applications that are being targeted and what are the barriers to implementation? In this perspective, we do not present an exhaustive survey of the vast literature in this area, but indicate overarching themes/questions that require immediate attention, largely based on the discussions at the Mumbai meeting.}, author = {Kumar, Sanat K. and Kumaraswamy, Guruswamy and Prasad, Bhagavatula L. V. and Bandyopadhyaya, Rajdip and Granick, Steve and Gang, Oleg and Manoharan, Vinothan N. and Frenkel, Daan and Kotov, Nicholas A.} } @article {43807, title = {Nanotubular hard carbon derived from renewable natural seed gel for high performance sodium-ion battery anode}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {AUG}, pages = {6909-6915}, type = {Article}, abstract = {

Electrical energy storage devices such as batteries and supercapacitors are perhaps the most researched topic today in view of its critical implications for the successful implementations of various renewable energy harvesting initiatives. Amongst the various battery systems being currently examined, the Li-battery continues to be a main player, but the Na-ion battery has been attracting significant attention lately due to the concerns about the limited reserves and high cost of Li. Hard carbon is recognized to be a good anode material for Na-battery. In this work we present a novel approach to synthesize such hard carbon from a natural gel derived from the commonly used Basil seeds (Osimum Basilicum) which swell 30 times their weight by absorbing water. The hard carbon obtained by pyrolysis of the freeze-dried mucilage possesses sheet-like and tubular morphology with decorated surface defects attributed to the presence of oxygen functionalities. This hard carbon shows a good reversible capacity of 195 mAh g(-1) at 0.1A g(-1) with an impressive approximate to 91\% retention of initial capacity after 300 cycles and sustains high current densities with not much change in capacity value.

}, doi = {10.1002/slct.201701123}, author = {Sharma, Neha and Gawli, Yogesh and Ahmad, Absar and Muhammed, Musthafa and Ogale, Satishchandra} } @article {43817, title = {Nature of selenium hydrogen bonding: gas phase spectroscopy and quantum chemistry calculations}, journal = {Physical chemistry Chemical physics}, volume = {19}, year = {2017}, month = {SEP}, pages = {24179-24187}, type = {Article}, abstract = {

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

}, keywords = {Center-Dot-O, Clusters, Co-Ordination, Complexes, intermolecular interactions, Proteins, Replacement, spectra, Strength, Sulfur}, issn = {1463-9076}, doi = {10.1039/c7cp05265k}, author = {Mishra, Kamal K. and Singh, Santosh K. and Ghosh, Paulami and Ghosh, Debashree and Das, Aloke} } @article {44016, title = {New insight into sugarcane industry waste utilization (press mud) for cleaner biobutanol production by using c. acetobutylicum nrrl b-527}, journal = {Applied Biochemistry and Biotechnology}, year = {2017}, month = {MAY}, chapter = {1-18}, abstract = {

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

}, keywords = {Acetone, Acetone butanol ethanols, Acidic pre treatments, Agriculture, Biobutanol, cellulose, Clostridium acetobutylicum, Detoxification, Drying, Drying Fermentation, FermentationSpoilage, Fermentative production, Pre-treatment, Press mud, Press mud Pretreatment, Response surface methodology, Sugar industry, Sulfur determination}, issn = {0273-2289}, doi = {10.1007/s12010-017-2479-3}, author = {Nimbalkar, Pranhita R. and Khedkar, Manisha A. and Gaikwad, S. G. and Chavan, Pramod V. and Bankar, Sandip B.} } @article {45769, title = {N-Heterocyclic carbene-catalyzed aldol-lactonization of ketoacids via dynamic kinetic resolution}, journal = {ACS Catalysis}, volume = {7}, year = {2017}, month = {JUN}, pages = {3995-3999}, type = {Article}, abstract = {

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

}, keywords = {aldol lactonization, beta-lactones, DKR strategies, ketoacids, N-heterocyclic carbenes, organocatalysis}, issn = {2155-5435}, doi = {10.1021/acscatal.7b00681}, author = {Mondal, Santigopal and Mukherjee, Subrata and Das, Tamal Kanti and Gonnade, Rajesh and Biju, Akkattu T.} } @article {43947, title = {NIR light-triggered shrinkable thermoresponsive PNVCL nanoshells for cancer theranostics}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {SEP}, pages = {44026-44034}, type = {Article}, abstract = {For the localized treatment of a tumor in a more controlled fashion, several stimuli-responsive nanocarriers and minimally or non-invasive techniques like photothermal therapy (PTT) have emerged. However, PTT is limited to only treatment of small and superficial tumors due to the inability of NIR light to penetrate more and kill the core cells of large and deep-seated tumors. As a preliminary step towards addressing the problem, NIR light-triggered thermoresponsive theranostic nanoshell consisting of chitosan-grafted poly(N-vinyl caprolactam) as core and biocompatible gold as shell (Au PNVCL NS) are synthesized and well characterized by various techniques. PNVCL is polymerized from N-vinyl caprolactam using free radical polymerization method, and chitosan is grafted to raise its lower critical solution temperature (LCST) to hyperthermic temperature (\~{}43 {\textdegree}C). Surface plasmon resonant gold shell over PNVCL NPs core is assembled by ascorbic acid-driven in situ reduction. Core to shell diameter ratio is controlled to tune the peak in NIR region (750 nm). Therapeutic potential of Au PNVCL NS is determined over breast cancer cells MCF-7, while diagnostic potential is compared with the commercial contrast agent-Omnipaque.}, doi = {10.1039/C7RA07485A}, author = {Chauhan, Deepak S. and Singaravelu, Indulekha and Gottipalli, Rupesh and Reddy, B. Pradeep K. and Chikate, Tanmayee and Gupta, Ramkrishn and Jahagirdar, Dushyant N. and Prasad, Rajendra and De, Abhijit and Srivastava, Rohit} } @article {44172, title = {Nitrogen-doped graphene with a three-dimensional architecture assisted by carbon nitride tetrapods as an efficient metal-free electrocatalyst for hydrogen evolution}, journal = {Chemelectrochem}, volume = {4}, year = {2017}, month = {OCT}, pages = {2643-2652}, type = {Article}, abstract = {Current polymer membrane-based electrolyzers use Pt as a cathode catalyst for efficient reduction of water. The high cost of Pt-based catalysts forces researchers to develop alternative electrocatalysts. Here, a simple strategy has been proposed to synthesize a metal-free electrocatalyst for the hydrogen evolution reaction (HER) by high-temperature annealing of graphene oxide-coated melamine foam. The prepared catalyst possesses both structural and functional advantages with its three-dimensional (3D) interconnected arms of carbon nitride (CNx) backbone wrapped with nitrogen-doped graphene (N-RGO) sheets (CNx@N-RGO). CNx@N-RGO faces only a 193 mV overpotential to achieve a current density of 10mAcm(-2), which is far superior to the previously reported Pt-free systems. Along with the high exchange current density 34.7 x 10(-6)A cm(-2) and low Tafel slope of 54 mV dec(-1), CNx@N-RGO follows a Volmer-Heyrovsky mechanism for the HER. DFT calculations show that the synergy between CNx and N-RGO facilitates good electrical coupling between the two moieties and provides optimal binding to H+ ions on the catalyst that, in turn, results in efficient reduction of hydrogen ions.}, keywords = {carbon nitride, Density functional theory, electrocatalyst, hydrogen evolution reaction, nitrogen doped graphene}, issn = {2196-0216}, doi = {10.1002/celc.201700479}, author = {Gangadharan, Pranav K. and Unni, SreeKuttan M. and Kumar, Nandha and Ghosh, Prasenjit and Kurungot, Sreekumar} } @article {44042, title = {Nutty carbon: morphology replicating hard carbon from walnut shell for na ion battery anode}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {JUL}, chapter = {3601{\textendash}3609}, abstract = {
Abstract Image

Efficient Na ion intercalation/deintercalation in the semigraphitic lattice of a hard carbon derived from the walnut shell is demonstrated. High-temperature (1000 {\textdegree}C) pyrolysis of walnut shells under an inert atmosphere yields a hard carbon with a low surface area (59 m2\ g{\textendash}1) and a large interplanar\ c\ axis separation of 0.39{\textendash}0.36 nm as compared to 0.32 nm for graphite, suitable for Na ion intercalation/deintercalation. A stable reversible capacity of 257 mAh g{\textendash}1\ is observed at a current density of 50 mA g{\textendash}1\ for such nutshell-derived carbon (NDC) with an impressive rate performance. No loss of electrochemical performance is observed for high current cycling (100 mA g{\textendash}1\ {\textrightarrow} 2 A g{\textendash}1\ {\textrightarrow} 100 mA g{\textendash}1). Additionally, the NDC shows remarkably stable electrochemical performance up to 300 charge{\textendash}discharge cycles at 100 mA g{\textendash}1\ with a minimal drop in capacity.

}, keywords = {Batteries, Biological and Medicinal chemistry, Biological materials, diffraction, Electric Properties, Electrode-electrolyte interface, spectra, Surface structure, Thermal properties}, doi = {10.1021/acsomega.7b00633}, author = {Wahid, M. and Gawli, Y. and Puthusseri, D. and Kumar, A. and Shelke, M. V. and Ogale, S.} } @article {45693, title = {Odd-even alternation in tautomeric porous organic cages with eceptional chemical stability}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {FEB}, pages = { 2123-2126}, type = {Article}, abstract = {Amine-linked (C-NH) porous organic cages (POCs) are preferred over the imine-linked (C= N) POCs owing to their enhanced chemical stability. In general, aminelinked cages, obtained by the reduction of corresponding imines, are not shape-persistent in the crystalline form. Moreover, they require multistep synthesis. Herein, a one-pot synthesis of four new amine-linked organic cages by the reaction of 1,3,5-triformylphloroglucinol (Tp) with different analogues of alkanediamine is reported. The POCs resulting from the odd diamine (having an odd number of -CH2 groups) is conformationally eclipsed, while the POCs constructed from even diamines adopt a gauche conformation. This odd-even alternation in the conformation of POCs has been supported by computational calculations. The synthetic strategy hinges on the concept of Schiff base condensation reaction followed by keto-enol tautomerization. This mechanism is the key for the exceptional chemical stability of cages and facilitates their resistance towards acids and bases.}, doi = {10.1002/anie.201611260}, author = {Bera, S. and Basu, A. and Tothadi, S. and Garai, B. and Banerjee, S. and Vanka, K. and Banerjee, R.} } @conference {45797, title = {OFET based H2S gas sensing among reducing and mining gases using green synthesis SnO2}, booktitle = {2016 3rd International Conference on Emerging Electronics, ICEE 2016}, year = {2017}, month = {JAN}, publisher = {IEEE}, organization = {IEEE}, address = {Mumbai, India}, abstract = {In this paper we present detection of H2S gas using an organic field effect transistor (OFET) based sensor. A low-cost green synthesis process for SnO2 nanoparticles and bi-layer approach for device fabrication have been adopted to come up with the sensor. With the help of multiparameteric analysis, selectivity towards H2S gas was proved among other reducing and mining gases. }, doi = {10.1109/ICEmElec.2016.8074608}, author = {Surya, S. G. and Roy, S. and Ganne, B. S. P. and Pasam, D. and Sastry, A. B. and Bhagavatula L. V. Prasad} } @article {43938, title = {Optimization for the production of mycelial biomass from Benjaminiella poitrasii to isolate highly deacetylated chitosan}, journal = {Journal of Polymer Materials}, volume = {34}, year = {2017}, month = {MAR}, pages = {145-156}, type = {Article}, abstract = {

Benjaminiella poitrasii, a dimorphic zygomycetous fungus contains more chitosan in the mycelial cell wall than the cell wall of its yeast form. The optimized medium containing yeast extract, peptone, MgSO4, KH2PO4, trace metals (Fe2+, Mn2+ Zn2+ and Co2+ ) solution and 1\% starch produced 10-12 g/L(dry wt.) of mycelial biomass in 48 h in a 2L fermenter. Using 1N NaOH treatment from 1 g of dried biomass 51.00 {\textpm} 0.52 mg of chitosan of 42.82 KDa molecular weight and 94.24 \% degree of deacetylation was extracted. With Metarhizium anisopliae chitin deacetylase (CDA), chitosan yield was 59.00 {\textpm} 0.84 mg while treatment with CDA of B. poitrasii it was 78.05 {\textpm} 0.58 mg/g of dry wt. of biomass. The chitosan dissolved in 2\% acetic acid showed higher antifungal activity against Candida albicans (MIC90 0.025 mg/mL) and Candida glabrata (MIC90 0.2 mg/mL) than chitosan extracted from marine source (MIC90 \>1.6 mg/mL) suggesting use of fungal chitosan in healthcare.

}, author = {Mane, S. R. and Pathan, Ejaj K. and Kale, D. and Ghormade, Vandana and Gadre, Ramchandra V. and Rajamohanan, Pattuparambil Ramanpillai and Badiger, Manohar V. and Deshpande, Mukund V.} } @article {43798, title = {Organocatalytic enantioselective vinylogous michael-aidoi cascade for the synthesis of spirocyclic compounds}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {AUG}, pages = {4367-4370}, type = {Article}, abstract = {Enantioselective synthesis of pyrazolone-fused spirocyclohexenols by the secondary amine-catalyzed cascade reaction of alpha,beta-unsaturated aldehydes with alpha-arylidene pyrazolinones is reported. This formal [3 + 3] organocascade reaction proceeds through a vinylogous Michael-aldol sequence to furnish the spiroheterocycles with three stereocenters including an all-carbon quaternary center in good yields and selectivities. The catalytic generation of alpha,beta-unsaturated iminium ions from enals and tandem dienolate/enolate formation from pyrazolinones are the key for the success of this spiroannulation reaction.}, doi = {10.1021/acs.orglett.7b02085}, author = {Mondal, Santigopal and Mukherjee, Subrata and Yetra, Santhivardhana Reddy and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {43554, title = {Organocatalyzed efficient one-pot synthesis, biological evaluation, and molecular docking studies of 4,4-(Arylmethylene)bis-(3-methyl-1-phenyl-1H-pyrazol-5-ols)}, journal = {Journal of Heterocyclic Chemistry}, volume = {54}, year = {2017}, month = {MAR}, pages = {1109-1120}, abstract = {The synthesis of 4,4-(arylmethylene)bis-(3-methyl-1-phenyl-1H-pyrazol-5-ol) derivatives catalyzed by ?-proline is a simple, versatile, and efficient method. In vitro antioxidant, anti-inflammatory, and antimicrobial activities of compounds 4a, 4b, 4c, 4d, 4e, 4f, 4g, 4h, 4i, 4j were studied. Furthermore, to rationalize the observed anti-inflammatory activity data, molecular docking study has been performed against COX-2 enzyme which revealed a good binding affinity for these molecules and could provide an insight into the various bonded and non-bonded interactions guiding their binding affinity.}, doi = {10.1002/jhet.2681}, author = {Mahajan, Pravin S. and Nikam, Mukesh D. and Khedkar, Vijay and Jha, Prakash and Badadhe, Pravin V. and Gill, Charansingh H.} } @article {44150, title = {Organo-clay hybrid hydrophobic spherical styrene divinylbenzene crosslink beads for high-performance carbon dioxide capture}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {OCT}, pages = {12326-12335}, type = {Article}, abstract = {Herein, we report carbon dioxide sorption properties for a series of cloisite-containing crosslink hybrid materials. These materials were prepared by copolymerizing styrene divinylbenzene in the presence of various cloisites through suspension polymerization in one pot to obtain uniform spherical beads. The homopolymer formed during the polymerization was separated from the hybrid. The synthetic strategy is user-friendly and cost-effective, can be easily scaled up for production, and provides materials with good mechanical strength. The microporous polymeric spheres containing organo-clay (cloisite) showed a high surface area of similar to 80-370 m(2) g(-1) with a microsphere size of similar to 4.4 nm. These polymeric spherical beads were hydrophobic and thermally stable up to 300 degrees C. They showed high carbon dioxide uptake (up to similar to 20.7 wt\% at 273 K/1.0 bar) due to lone pair electrons of heteroatom, which might sharpen the interaction between the CO2 molecules and polymeric matrices through local dipole/quadruple interaction. Moreover, they showed good capacity to store CO2 due to the presence of quaternary ammonium groups in the clay and a large amount of narrow microspheres (B4.4 nm). The equilibrium CO2 capacities of the prepared spherical beads were due to the interaction between quaternary ammonium and the negatively charged oxygen atoms of CO2, and these spherical beads showed potential applications in gas adsorption and separation.}, doi = {10.1039/c7nj02141k}, author = {Nande, Smita S. and Garnaik, Baijayantimala} } @article {44116, title = {Overcoming the lack of oral availability of cyclic hexapeptides: design of a selective and orally available ligand for the integrin alpha v beta 3}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {DEC}, pages = {16405-16409}, type = {Article}, abstract = {Ahighly systematic approach for the development of both orally bioavailable and bioactive cyclic N-methylated hexapeptides as high affinity ligands for the integrin alpha v beta 3 is based on two concepts: a) screening of systematically designed libraries with spatial diversity and b) masking of the peptide charge with a lipophilic protecting group. The key steps of the method are 1) initial design of a combinatorial library of Nmethylated analogues of the stem peptide cyclo(d-Ala-Ala(5)); 2) selection of cyclic peptides with the highest intestinal permeability; 3) design of sublibraries with the bioactive RGD sequence in all possible positions; 4) selection of the best ligands for RGD-recognizing integrin subtypes; 5) finetuning of the affinity and selectivity by additional Ala to Xaa substitutions; 6) protection of the charged functional groups according to the prodrug concept to regain intestinal and oral permeability; 7) proof of biological effects in mice after oral administration.}, doi = {10.1002/anie.201709709}, author = {Weinmueller, Michael and Rechenmacher, Florian and Marelli, Udaya Kiran and Reichart, Florian and Kapp, Tobias G. and Raeder, Andreas F. B. and Di Leva, Francesco Saverio and Marinelli, Luciana and Novellino, Ettore and Munoz-Felix, Jose M. and Hodivala-Dilke, Kairbaan and Schumacher, Adi and Fanous, Joseph and Gilon, Chaim and Hoffman, Amnon and Kessler, Horst} } @article {44013, title = {Oviposition and feeding behaviour of Xanthopimpla pedator (Fabricius) (Hymenoptera: Ichneumonidae) on tropical tasar silkworm, Antheraea mylitta (Drury) (Lepidoptera: Saturniidae)}, journal = {Journal of Asia-Pacific Entomology}, volume = {20}, year = {2017}, month = {SEP}, pages = {977-983}, type = {Journal Article}, abstract = {Xanthopimpla pedator is a major pupal endoparasitoid of tropical tasar silkworm, Antheraea mylitta. Extensive parasitism by X. pedator results in pupal (seed) mortality and broken cocoons, which declines the wild tasar silk production. A detailed account is given on the oviposition behaviour of the female X. pedator and feeding behaviour of its immature forms in the pupa of A. mylitta. Scanning electron microscopic (SEM) details of the ovipositor of X. pedator revealed the presence of various mechano- and chemoreceptors, which regulate host discrimination and oviposition behaviour. The oviposition and feeding behaviour of X. pedator were evaluated in the field as well as in situ conditions. In addition, the invasion caused by X. pedator on A. mylitta, are also described. Host-parasitoid interactions are also discussed and recorded frame-by-frame video-graphically. The parasitoid X. pedator, arrests development and eventually the survival of A. mylitta. We also assume that parasitism by X. pedator in tasar culture is due to the microhabitat and food content of pupal host A. mylitta, which favors the development of parasitoid.}, doi = { 10.1016/j.aspen.2017.07.007}, author = {Gathalkar, G.B.}, editor = {Barsagade, D.D.} } @article {43492, title = {Oxidant mediated one-step complete conversion of multi-walled carbon nanotubes to graphene quantum dots and their bioactivity against mammalian and bacterial cells}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {JAN}, pages = {785-796}, abstract = {It is essential for any antibacterial agent (for clinical applications) that it should have high and selective toxicity towards bacterial cells only, and should not affect the human cells at the concentration used. Graphene quantum dots (GQDs) have emerged as a potential candidate for biomedical applications. However, a simple, low cost, safe, easy to execute, one-step synthesis of uniform and monodispersed GQDs with selective toxicity towards bacterial cells rather than mammalian cells is difficult to achieve. Herein, we have reported a one-step, low-cost, aqueous-phase, simple approach for the complete conversion of multi-walled carbon nanotubes into water-dispersible GQDs with an average size of similar to 3 nm using sodium bismuthate (NaBiO3) as a strong oxidant. The cyclic voltammetry and X-ray photoelectron spectroscopy results indicated that the as-synthesized GQDs suspension possess almost negligible amounts of metallic impurities. The cytotoxicity studies of GQDs against mammalian NIH 3T3 (mouse embryo fibroblast cells) and HEK 293T (human embryonic kidney cells) cells showed that the as-synthesized GQDs were non-cytotoxic up to the concentration of similar to 200 mu g mL(-1). The antimicrobial study shows that the synthesized GQDs have high and selective toxicity towards bacterial cells with a minimum inhibitory concentration of similar to 256 mu g mL(-1) for E. coli and B. subtilis and similar to 512 mu g mL(-1) for P. aeruginosa and S. aureus. The scanning electron microscopy and atomic force microscopy images show extensive cell damage via the perturbation of bacterial cell walls, which was consistent with the enhancement of reactive oxygen species production by almost two times in the bacterial cells upon incubation with similar to 256 mu g mL(-1) GQDs. Our study suggested that the as-synthesized GQDs can be used as a potential candidate for clinical applications as they possess high toxicity to bacterial cells and low toxicity to mammalian cells.}, doi = {10.1039/c6tb02446g}, author = {Biswas, Anupam and Khandelwal, Puneet and Das, Raja and Salunke, Gayatri and Alam, Aftab and Ghorai, Suvankar and Chattopadhyay, Samit and Poddar, Pankaj} } @article {43879, title = {Pd-catalyzed regioselective mono-arylation: quinazolinone as the inherent directing group for C(sp(2))-H activation}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUN}, pages = {6366-6372}, type = {Article}, chapter = {6366-6372}, abstract = {

The Pd-catalyzed quinazolinone-directed regioselective monoarylation of aromatic rings by C-H bond activation is developed. A broad substrate scope is demonstrated for both quinazolinone as well as diary-liodonium triflates. The use of a base was found to be crucial for this transformation, unlike for the known nitrogen-directed arylations. All of the novel quinazolinones of biological interest were synthesized by using the operationally simple Pd(II)-catalyzed arylation reaction.

}, keywords = {Aromatic rings, catalysis, Chemical activation, Chemical reactions, Palladium compounds, Regioselectivity}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b00948}, author = {Garad, Dnyaneshwar N. and Viveki, Amol B. and Mhaske, Santosh B.} } @article {43666, title = {Photo-induced cytotoxicity and anti-metastatic activity of ruthenium(II)-polypyridyl complexes functionalized with tyrosine or tryptophan}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {MAY}, pages = {6634-6644}, abstract = {The synergistic effect of oxygen, light, and photosensitizer (PS) has found applications in medicine for the treatment of cancer through photodynamic therapy (PDT). Induction of apoptosis to cancerous cells will prevent tumor metastasis that spreads cancer cells to the neighboring organs/tissues. Herein, we report the two apoptotic Ru(II)-polypyridyl complexes that are functionalized with pendant amino acid moieties tyrosine (1) and tryptophan (2), respectively. These two water soluble complexes were found to interact strongly (K-a(1) = (1.18 +/- 0.28) x 10(5) M-1 and K-a(2) = (1.57 +/- 0.77) x 10(5) M-1) with CT-DNA. Isothermal titration calorimetry (ITC) studies revealed that these complexes bind to CT-DNA through an entropically driven process. Both the complexes showed photo-induced cytotoxicity and exhibit apoptotic activity under photo-irradiation conditions. The comet assay indicated that these complexes can damage cellular DNA, which is attributed to the significant build-up of O-1(2) level even on irradiation with low intensity light (10 J cm(-2), lambda(Range) 450-480 nm). This photoinduced DNA damage and apoptosis in A549 cells was induced by reactive oxygen species (ROS) and occurred through up-regulation of apoptotic marker caspase-3. Control experiments under dark conditions revealed an insignificant cytotoxicity towards these cells for two photosensitive molecules.}, doi = {10.1039/c7dt00670e}, author = {Ramu, Vadde and Aute, Sunil and Taye, Nandaraj and Guha, Rweetuparna and Walker, Michael G. and Mogare, Devaraj and Parulekar, Apoorva and Thomas, Jim A. and Chattopadhyay, Samit and Das, Amitava} } @article {43529, title = {Physical mechanism behind enhanced photoelectrochemical and photocatalytic properties of superhydrophilic assemblies of 3D-TiO2 microspheres with arrays of oriented, single-crystalline TiO2 nanowires as building blocks deposited on fluorine-doped tin oxid}, journal = {ACS Applied Materials \& Interfaces}, volume = {9}, year = {2017}, month = {MAR}, pages = {11202-11211}, abstract = {In comparison to the one-dimensional (1D) semiconductor nanostructures, the hierarchical, three-dimensional (3D) microstructures, composed of the arrays of 1D nanostructures as building blocks, show quite unique physicochemical properties due to efficient photon capture and enhanced surface to volume ratio, which aid in advancing the performance of various optoelectronic devices. In this contribution, we report the fabrication of surfactant-free, radially assembled, 3D titania (rutile-phase) microsphere arrays (3D-TMSAs) composed of bundles of single-crystalline titania nanowires (NWs) directly on fluorine-doped conducting oxide (FTO) substrates with tunable architecture. The effects of growth parameters on the morphology of the 3D-TMSAs have been studied thoroughly. The 3D-TMSAs grown on the FTO-substrate showed superior photon-harvesting owing to the increase in light-scattering. The photocatalytic and photon to electron conversion efficiency of dye sensitized solar cells (DSSC), where the optimized 3D-TMSAs were used as an anode, showed around 44\% increase in the photoconversion efficiency compared to that of Degussa P-25 as a result of the synergistic effect of higher surface area and enhanced photon scattering probability. The TMSA film showed superhydrophilicity without any prior UV irradiation. In addition, the presence of bundles of almost parallel NWs led to the formation of arrays of microcapacitors, which showed stable dielectric performance. The fabrication of single-crystalline, oriented, self-assembled TMSAs with bundles of titania nanowires as their building blocks deposited on transparent conducting oxide (TCO) substrates has vast potential in the area of photoelectrochemical research.}, doi = {10.1021/acsami.6b15420}, author = {Sadhu, Subha and Gupta, Preeti and Poddar, Pankaj} } @article {43922, title = {Pilot-scale pretreatments of sugarcane bagasse with steam explosion and mineral acid, organic acid, and mixed acids: synergies, enzymatic hydrolysis efficiencies, and structure-morphology correlations}, journal = {Biomass Conversion and Biorefinery}, volume = {7}, year = {2017}, month = {SEP}, pages = {179-189}, type = {Article}, abstract = {In lignocellulosic (LC) ethanol processes, to facilitate enzymatic hydrolysis of cellulose, a physical chemical pretreatment is vital. In this study, we explored a single as well as a two-step physical-chemical pretreatment involving steam and mixed acid on unwashed sugarcane bagasse at pilot-scale level in a continuous horizontal reactor. To serve as a large-scale model, pretreatments were carried out at high solid levels of 18{\textendash}20 \% w/w. For the pretreatment, partial replacement of corrosive sulfuric acid with a milder acid-like oxalic acid was explored to derive possible advantages and synergies accruing by using a mixture of mineral acid and organic acid. The results of this work showed that first-step pretreatment carried out by the mixing of sulfuric acid (1.5 \% w/w) and oxalic acid (1.5 \% w/w) at 150 {\textdegree}C followed by a second-step steam explosion pretreatment at 180 {\textdegree}C gave significant synergies and advantages over other variants of pretreatments investigated, such as lower inhibitor levels and lower reaction severity. On post-pretreated bagasse, this study conducted comparative enzymatic hydrolysis study using a simple lab enzyme and a robust commercial enzyme. It was found that the addition of Tween 80 to the lab enzyme improved its performance to match the performance of the commercial enzyme. Scanning electron microscopy (SEM) studies were further carried out to correlate the morphology of pretreated samples with efficiency of enzyme hydrolysis. Besides morphological study, Fourier transform infrared (FTIR) studies of pretreated samples showed higher syringyl/guaiacyl ratio for all pretreatments, indicating lower levels of pseudo-lignins, which is beneficial for improved enzyme hydrolysis.}, doi = {10.1007/s13399-016-0220-z}, author = {Pal, Siddhartha and Joy, Shereena and Kumbhar, Pramod S. and Trimukhe, Kalpana D. and Gupta, Rishi and Kuhad, Ramesh Chander and Varma, Anjani J. and Shankar, Sasi} } @article {43028, title = {Placental proteomics provides insights into pathophysiology of pre-eclampsia and predicts possible markers in plasma}, journal = {Journal of Proteome Research}, volume = {16}, year = {2017}, month = {FEB}, pages = {1050-1060}, abstract = {

Pre-eclampsia is a hypertensive disorder characterized by the new onset of hypertension \>140/90 mmHg and proteinuria after the 20th week of gestation. The disorder is multi-factorial and originates with abnormal placentation. Comparison of the placental proteome of normotensive (n=25) and pre-eclamptic (n=25) patients by gel-free proteomic techniques, identified a total of 2145 proteins in the placenta of which 180 were differentially expressed (\>1.3 fold, p\<0.05). Gene ontology enrichment analysis of biological process suggested that the differentially expressed proteins belonged to various physiological processes such as angiogenesis, apoptosis, oxidative stress, hypoxia, placental development, which are implicated in the pathophysiology of pre-eclampsia. Some of the differentially expressed proteins were monitored in the plasma by multiple reaction monitoring (MRM) analysis, which showed an increase in Apolipoprotein AI and AII in gestational week 26-30th (2-fold, p\<0.01) while haptoglobin and hemopexin decreased in gestational week 26-30th and 40th week/at delivery (1.8 fold, p\<0.01) in pre-eclamptic patients. This study provides a proteomic insight into the pathophysiology of pre-eclampsia. Identified candidate proteins can be evaluated further for the development of potential biomarkers associated with pre-eclampsia pathogenesis.

}, doi = {10.1021/acs.jproteome.6b00955}, author = {Mary, Sheon and Kulkarni, Mahesh J. and Malakar, Dipankar and Joshi, Sadhana Ramchandra and Mehendale, Savita S. and Giri, Ashok P.} } @article {45673, title = {Plant cholesterol biosynthetic pathway overlaps with phytosterol metabolism}, journal = {Nature Plants}, volume = {3}, year = {2017}, month = {JAN}, type = {Article}, abstract = {The amount of cholesterol made by many plants is not negligible. Whereas cholesterogenesis in animals was elucidated decades ago, the plant pathway has remained enigmatic. Among other roles, cholesterol is a key precursor for thousands of bioactive plant metabolites, including the well-known Solanum steroidal glycoalkaloids. Integrating tomato transcript and protein co-expression data revealed candidate genes putatively associated with cholesterol biosynthesis. A combination of functional assays including gene silencing, examination of recombinant enzyme activity and yeast mutant complementation suggests the cholesterol pathway comprises 12 enzymes acting in 10 steps. It appears that half of the cholesterogenesis-specific enzymes evolved through gene duplication and divergence from phytosterol biosynthetic enzymes, whereas others act reciprocally in both cholesterol and phytosterol metabolism. Our findings provide a unique example of nature{\textquoteright}s capacity to exploit existing protein folds and catalytic machineries from primary metabolism to assemble a new, multi-step metabolic pathway. Finally, the engineering of a {\textquoteright}high-cholesterol{\textquoteright} model plant underscores the future value of our gene toolbox to produce high-value steroidal compounds via synthetic biology.}, doi = {10.1038/nplants.2016.205}, author = {Sonawane, P. D. and Pollier, J. and Panda, S. and Szymanski, J. and Massalha, H. and Yona, M. and Unger, T. and Malitsky, S. and Arendt, P. and Pauwels, L. and Almekias-Siegl, E. and Rogachev, I. and Meir, S. and Cardenas, P.D. and Masri, A. and Petrikov, M. and Schaller, H. and Schaffer, A. A. and Kamble, A. and Giri, A. P. and Goossens, A. and Aharoni, A.} } @article {43903, title = {Polyhydroxyalkanoates as biomaterials}, journal = {MedChemComm}, volume = {8}, year = {2017}, month = {SEP}, chapter = {1774-1787}, abstract = {

Polyhydroxyalkanoates (PHAs) are biopolymers synthesized by bacteria under unbalanced growth conditions. These biopolymers are considered as potential biomaterials for future applications because they are biocompatible, biodegradable, and easy to produce and functionalize with strong mechanical strength. Currently, PHAs are being extensively innovated for biomedical applications due to their prerequisite properties. The wide range of biomedical applications includes drug delivery systems, implants, tissue engineering, scaffolds, artificial organ constructs, etc. In this article we review the utility of PHAs in various forms (bulk/nano) for biomedical applications so as to bring about the future vision for PHAs as biomaterials for the advancement of research and technology.

}, keywords = {Biomedical Applications, Cancer-therapy, Drug-delivery Systems, In-vitro, Molecular-weight, Poly(Ester Urethane)S, poly(ethylene glycol), Regenerative Medicine, Tissue Engineering Applications, Vitro Antibiotic Release}, issn = {2040-2503}, doi = {10.1039/c7md00252a}, author = {Bhagyashri, S. and Gadgil, Thorat and Killi, Naresh and Rathna, Gundloori V. N.} } @article {44007, title = {Polymer-based hybrid catalyst of low Pt content for electrochemical hydrogen evolution}, journal = {International Journal of Hydrogen Energy}, volume = {42}, year = {2017}, month = {SEP}, pages = {22821-22829}, type = {Journal Article}, abstract = {

Hydrogen is regarded as the most promising fuel to replace conventional fossil fuel. The electrochemical production of hydrogen requires catalyst and development of efficient non-Pt catalysts or catalysts with low Pt content are in demand. Herein, we demonstrate the photochemical synthesis of a hydrogen evolution electrocatalyst poly(α-terthiophene)-Pt nanoparticle hybrid material (polyTT-Pt) of low Pt content and its electrocatalytic activity. The synthesis of polyTT-Pt hybrid material involves the photoinduced electron transfer between α-terthiophene (α-TT) and and the subsequent in situ growth of polymer and Pt nanoparticles. The irradiation of the mixture of α-TT and with sunlamp initiates the oxidative polymerization and reduction of Pt complex to Pt nanoparticles. The polymer has cabbage-like microstructure and the in situ grown Pt nanoparticles have an average size of 1.8 nm. The Pt nanoparticles are embedded into the polymer matrix as well as randomly distributed over the polymer. The hybrid material contains 2.91 wt\% of Pt and it shows characteristic electrochemical signature with an electrochemically active surface area of 35.7 m{\texttwosuperior}/gPt. The hybrid material polyTT-Pt is electrocatalytically highly active though it contains very small amount of Pt. It efficiently catalyses hydrogen evolution reaction (HER) and the bench mark current density of 10 mA/cm{\texttwosuperior} is achieved at an overpotential of 67 mV. The mass activity of the hybrid catalyst is 1172 mA/mgPt at the overpotential of 67 mV. The high activity is ascribed to the high electronic conductivity of the polymer matrix, facile access of electrolyte due to the embedded small nanoparticles and the presence of large number of catalytically active Pt sites. Tafel analysis suggests that the HER follows the Volmer-Tafel mechanism. Polymer-based hybrid catalyst of low Pt content for electrochemical hydrogen evolution. Available from: https://www.researchgate.net/publication/319039592_Polymer-based_hybrid_catalyst_of_low_Pt_content_for_electrochemical_hydrogen_evolution [accessed Oct 16 2017].

}, doi = {10.1016/j.ijhydene.2017.07.152}, author = {Chakrabartty, S.}, editor = {Gopinath, C. S.} } @article {45719, title = {Polymerization-incompetent uromodulin in the pregnant stroke-prone spontaneously hypertensive rat}, journal = {Hypertension}, volume = {69}, year = {2017}, month = {MAY}, pages = {910+}, type = {Article}, abstract = {

The kidney is centrally involved in blood pressure regulation and undergoes extensive changes during pregnancy. Hypertension during pregnancy may result in an altered urinary peptidome that could be used to indicate new targets of therapeutic or diagnostic interest. The stroke-prone spontaneously hypertensive rat (SHRSP) is a model of maternal chronic hypertension. Capillary electrophoresis-mass spectrometry was conducted to interrogate the urinary peptidome in SHRSP and the control Wistar-Kyoto strain at three time points: prepregnancy and gestational days 12 and 18. The comparison within and between the Wistar-Kyoto and SHRSP peptidome at all time points detected 123 differentially expressed peptides (fold change \>1.5; P\<0.05). Sequencing of these peptides identified fragments of collagen a-chains, albumin, prothrombin, actin, serpin A3K, proepidermal growth factor, and uromodulin. Uromodulin peptides showed a pregnancy-specific alteration in SHRSP with a 7.8-fold (P\<0.01) and 8.8-fold (P\<0.05) increase at gestational days 12 and 18, respectively, relative to the Wistar-Kyoto. Further investigation revealed that these peptides belonged to the polymerization-inhibitory region of uromodulin. Two forms of uromodulin (polymerization competent and polymerization incompetent) were found in urine from both Wistar-Kyoto and SHRSP, where the polymerizationincompetent form was increased in a pregnancy-specific manner in SHRSP. Nifedipine-treated pregnant SHRSP showed only polymerization-competent uromodulin, indicating that calcium may be mechanistically involved in uromodulin polymerization. This study highlights, for the first time, a potential role of uromodulin and its polymerization in hypertensive pregnancy.

}, keywords = {Hypertension, Kidney, Nifedipine, pregnancy, uromodulin}, issn = {0194-911X}, doi = {10.1161/HYPERTENSIONAHA.116.08826}, author = {Mary, Sheon and Small, Heather Yvonne and Siwy, Justyna and Mullen, William and Giri, Ashok and Delles, Christian} } @article {45765, title = {Polymorphism, isostructurality and physicochemical properties of glibenclamide salts}, journal = {CrystEngComm}, volume = {19}, year = {2017}, month = {FEB }, pages = {918-929}, type = {Article}, abstract = {

Novel salts of glibenclamide (GBA), namely glibenclamide-sodium (GBA-Na), glibenclamide-potassium (GBA-K) and glibenclamide-ammonium (GBA-NH4) were crystallized under different conditions to obtain their polymorphs, and their aqueous solubility and hydration stability studies are reported. The GBA-Na salt is dimorphic (forms I and II)and also exists as hydrate GBA-Na-H2O (form III). The GBA-K salt exists in anhydrous and hydrate forms (GBA-K, forms I and II). Crystal structure analysis of GBA-Na forms I and II showed differences in geometry of the central metal atom and ligand orientation. This kind of polymorphism of sulfonyl urea salts appears to be novel in the Cambridge Structural Database (CSD). The iso-structurality of GBA-Na form I with GBA-NH4 and GBA-K form I salts is discussed. The potassium salts of GBA exhibited higher solubility compared to pure GBA. Specifically GBA-K salt forms I and II showed higher solubility by 77 fold in the water and 33 fold in phosphate buffer (pH 7) compared to the other salts. Dynamic vapor sorption (DVS) showed reversible water sorption without hysteresis for all salts, except for GBA-K form II which transformed to form I after a sorption and desorption cycle as confirmed by PXRD.

}, issn = {1466-8033}, doi = {10.1039/c6ce02295b}, author = {Suresh, Kuthuru and Khandavilli, U. B. Rao and Gunnam, Anilkumar and Nangia, Ashwini} } @article {43887, title = {Polymorphs and cocrystals: a comparative analysis}, journal = {Journal of the Indian Institute of Science}, volume = {97}, year = {2017}, month = {JUN}, pages = {193-226}, type = {Article}, abstract = {

Controlling polymorphism has been the subject of vigorous research in the recent past in the pharmaceutical industry due to the distinct physicochemical properties associated with each solid form. Developing cocrystals/salts of active pharmaceutical ingredients (APIs) has gained tremendous research interest in recent years owing to their potential to improve pharmaceutically relevant properties without affecting therapeutic efficacy. It is observed that compounds that exhibit polymorphism and also contain several H bond donor/acceptor groups have a tendency to form cocrystals and sometime even display cocrystal polymorphism, although this tendency cannot be generalized. The aim of this contribution is to correlate crystal structures of some polymorphic APIs and their respective cocrystals to understand the rationale behind a polymorphic compound generating cocrystals. Here, we make an attempt to compare how the conformation of the molecule observed in its polymorphs support the generation of cocrystals/salts. We understand that it is impossible to cover all the polymorphs and their cocrystals/salts available in the CSD; the comparative study has been carried out with a few case studies, wherein APIs displayed polymorphism (conformation) and also formed cocrystals/salts.

}, doi = {doi.org/10.1007/s41745-017-0028-2}, author = {Gonnade, Rajesh G. and Sangtani, Ekta} } @article {44129, title = { Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. part 1: lysozyme aggregation at pH 2 and 7.4}, journal = {Electrochimica Acta}, volume = {254}, year = {2017}, month = {NOV}, pages = {375-383}, type = {Article}, abstract = {Protein instability due to misfolding and aggregation is of big concern for protein based therapeutics because it impacts the bioavailability and immunogenicity of such drugs. The development of simple and cost-effective methods for the analysis of pharmaceutical formulations, indicating the presence or absence of protein aggregates, is consequently of high importance. This work proposes a novel electrochemical interface based on porous reduced graphene oxide coated glassy carbon electrode (GC/prGO) allowing for the early and sensitive identification of protein aggregation by following the change in the oxidative current of the proteins. The novelty of this work lies in the exploration of the ability of GC/prGO interfaces to capture different aggregation behaviors. Lysozyme is used as a model to follow by electrochemistry its aggregation at two pH values, pH 2 and pH 7.4, leading to the formation of amyloid and amorphous aggregates, respectively. Comparing the oxidation peak of lysozyme by differential pulse voltammetry (DPV) for different electrode architectures allowed validating the higher sensitivity of the GC/prGO interface versus bare glassy electrodes or electrodes coated with non-porous reduced graphene oxide. Parallel experiments were performed by fluorescence with thioflavin T, size exclusion chromatography and Atomic Force Microscopy (AFM) imaging. These tests further highlighted the usefulness of GC/prGO electrode to visualize in a fast and reliable manner the changes in the protein structure and the differences between the processes occurring at pH 2 and pH 7.4. In particular, the ability to emphasize changes related to the first steps in aggregation that could be indicative of the aggregation course, recommend the GC/prGO electrode in combination with DPV as a new analytical tool for aggregation studies of biopharmaceuticals. Part 2 of this work will demonstrate later the utility of this approach for the analysis of a fast acting injectable human insulin formulation, Humulin R, used for diabetes treatment as well as for calcitonin. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.electacta.2017.09.083}, author = {Vasilescu, Alina and Boulahneche, Samia and Chekin, Fereshteh and Gaspar, Szilveszter and Medjram, Mohamed Salah and Diagne, Abdou Aziz and Singh, Santosh K. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {43827, title = {Possibly scalable solar hydrogen generation with quasi-artificial leaf approach}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {JUL}, pages = {Article Number: 6515}, type = {Article}, abstract = {Any solar energy harvesting technology must provide a net positive energy balance, and artificial leaf concept provided a platform for solar water splitting (SWS) towards that. However, device stability, high photocurrent generation, and scalability are the major challenges. A wireless device based on quasi-artificial leaf concept (QuAL), comprising Au on porous TiO2 electrode sensitized by PbS and CdS quantum dots (QD), was demonstrated to show sustainable solar hydrogen (490 +/- 25 mu mol/h (corresponds to 12 ml H-2 h(-1)) from similar to 2mg of photoanode material coated over 1 cm(2) area with aqueous hole (S2-/SO32-) scavenger. A linear extrapolation of the above results could lead to hydrogen production of 6 L/h.g over an area of similar to 23 x 23 cm(2). Under one sun conditions, 4.3 mA/cm(2) photocurrent generation, 5.6\% power conversion efficiency, and spontaneous H-2 generation were observed at no applied potential (see S1). A direct coupling of all components within themselves enhances the light absorption in the entire visible and NIR region and charge utilization. Thin film approach, as in DSSC, combined with porous titania enables networking of all the components of the device, and efficiently converts solar to chemical energy in a sustainable manner.}, doi = {10.1038/s41598-017-06849-x}, author = {Patra, Kshirodra Kumar and Bhuskute, Bela D. and Gopinath, Chinnakonda S.} } @article {44163, title = {Potent antimicrobial activity of lipidated short alpha,gamma-hybrid peptides}, journal = {ChemMedChem}, volume = {12}, year = {2017}, month = {OCT}, pages = {1610-1615}, type = {Article}, abstract = {Herein we report the potent antimicrobial activity of alpha,gamma-hybrid lipopeptides composed of 1:1 alternating - and gamma-amino acids. Along with their potent antimicrobial activity against various Gram-positive and Gram-negative bacteria, these hybrid lipopeptides were found to be less hemolytic. Studies into the mechanism of action revealed that these short cationic lipopeptides bind and disrupt the bacterial cell membrane. Time-kill kinetics analyses revealed that the potent alpha,gamma-hybrid lipopeptides completely inhibit bacterial growth in less than 20 minutes. Overall, the promising antimicrobial activity along with lower hemolytic activity displayed by these alpha,gamma-hybrid lipopeptides make them well suited for further exploration into the design of potent lipopeptide antibiotics.}, doi = {10.1002/cmdc.201700370}, author = {Benke, Sushil N. and Thulasiram, Hirekodathakallu V. and Gopi, Hosahudya N.} } @article {43889, title = {Prediction of degrees API values of crude oils by use of saturates/aromatics/resins/ asphaltenes analysis: computational-intelligence-based models}, journal = {SPE Journal}, volume = {22}, year = {2017}, month = {JUN}, pages = {817-853}, type = {Article}, abstract = {The degrees API value is an important physicochemical characteristic of crude oils often used in determining their properties and quality. There exist models-predominantly linear ones-for predicting the degrees API magnitude from the molecular composition of a crude oil. This approach is tedious and time-consuming because it requires quantitative determination of numerous crude-oil components. Usually, the hydrocarbons present in a crude oil are grouped according to their molecular average structures into saturates, aromatics, resins, and asphaltenes (SARA) fractions. An degrees API-value prediction model dependent on these four fractions is relatively easier to develop, although this approach has been rarely used. A rigorous scrutiny suggests that some of the dependencies between the individual SARA fractions and the corresponding degrees API value could be nonlinear. Accordingly, in this study, SARA-fraction-based nonlinear models have been developed for the prediction of values using three computational-intelligence (CI) formalisms: genetic programming (GP), artificialneural networks (ANNs), and support-vector regression (SVR). The SARA analyses and degrees API values of 403 crude-oil samples covering wide ranges have been used in developing these models. A comparison of the CI-based models with an existing linear model indicates that all the former class of models possess a significantly better degrees API-value prediction and generalization performance than those exhibited by the linear model. Also, the SVR-based model has been found to be the most accurate degrees API-value predictor. Because of their better prediction accuracy, CI-based models can be gainfully used to predict degrees API values of crude oils.}, doi = {10.2118/184391-PA}, author = {Goel, Purva and Saurabh, Kumar and Patil-Shinde, Veena and Tambe, Sanjeev S.} } @article {43550, title = {Proton-coupled electron-transfer processes in ultrafast time domain: evidence for effects of hydrogen-bond stabilization on photoinduced electron transfer}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {MAR}, pages = {3455-3465}, abstract = {The proton-coupled electron-transfer (PCET) reaction is investigated for a newly synthesized imidazoleanthraquinone biomimetic model with a photoactive RuIIpolypyridyl moiety that is covalently coupled to the imidazole fragment. Intramolecular H-bonding interactions between imidazole and anthraquinone moieties favor the PCET process; this can be correlated to an appreciable positive shift in the one-electron reduction potential of the coordinated anthraquinone moiety functionalized with the imidazole fragment. This can also be attributed to the low luminescence quantum yield of the RuII-polypyridyl complex used. The dynamics of the intramolecular electron-transfer (ET) and PCET processes are studied by using femtosecond transient absorption spectroscopy. The steady- state spectroscopic studies and the results of the time- resolved absorption studies confirm that H- bonded water molecules play a major role in both ET and PCET dynamics as a proton relay in the excited state. The electron- transfer process is followed by a change in the H- bonding equilibrium between AQ and imidazole in acetonitrile solvent, and protonation of AQ(-) water leads to PCET in the presence of water. A slower forward and backward electron- transfer rate is observed in the presence of D2O compared with that in H2O. These results provide further experimental support for a detailed understanding of the PCET process.}, doi = {10.1002/chem.201605594}, author = {Dey, Ananta and Dana, Jayanta and Aute, Sunil and Maity, Partha and Das, Amitava and Ghosh, Hirendra N.} } @article {43476, title = {Reactive distillation for the production of methoxy propyl acetate: experiments and simulation}, journal = {Industrial \& Engineering Chemistry Research}, volume = {56}, year = {2017}, month = {FEB}, pages = {832-843}, abstract = {Propylene glycol methyl ether acetate is an industrially important solvent. In this work, we study the applicability of reactive distillation (RD) for its synthesis in the presence of an ion-exchange resin, Amberlyst 15, as a catalyst. Simultaneous separation of water during the course of reaction shifts the reaction in the forward direction, which renders cost effectiveness and compactness to the process. The presence of an azeotrope between methoxy propanol and water complicates the separation, leading to a loss of reactants in the product streams, thereby hampering both conversion and purity. Toluene is thus used as an entrainer to further intensify the process. In this work, the intrinsic kinetic parameters are determined from batch reactor data, and used subsequently to simulate the column performance. An experimentally validated simulator is used to examine the effect of various operating and design parameters. Reactant and product losses are minimized to negligible levels and a significant increase in the conversion is realized.}, doi = {10.1021/acs.iecr.6b03489}, author = {Gadekar-Shinde, Shambala and Reddy, Bhoja and Khan, Mohammad and Chavan, Sanjay and Saini, Dauiat and Mahajani, Sanjay} } @article {43810, title = {Reactivity of difunctional polar monomers and ethylene copolymerization: a comprehensive account}, journal = {Macromolecules}, volume = {50}, year = {2017}, month = {AUG}, pages = {5748-5758}, type = {Article}, abstract = {A comprehensive picture of insertion of 1,1-disubstituted difunctional olefins, their ability to double the functional group density at the same level of incorporation as that of monofunctional olefin, and copolymerization with ethylene has been demonstrated. Exposure of a palladium complex [{P boolean AND O}PdMe(L)] (P boolean AND O = kappa(2)-P,O-Ar2PC6H4SO2O with Ar = 2-MeOC6H4.; L = C2H6OS) to methyl 2-acetamidoacrylate (MAAA) revealed slight preference for 1,2-insertion over 2,1-insertion (1.0:0.7). In contrast, insertion of electron-deficient 2-(trifluoromethyl)acrylic acid (TFMAA) unveiled selective 2,1-insertion {via [(P boolean AND O)PdC5H6F3O2] (11)1. The unstable intermediate 11 undergoes beta-hydride and beta-fluoride elimination to produce subsequent insertion and elimination products. The identity of elimination products (E/Z)-2-trifluoromethyl)but-2-enoic acid [17(E/Z)] and 2-(difluoromethylene)butanoic acid (13) was fully established by 1-2D NMR spectroscopy. These insertion experiments, taken together with insertion rates, suggest that MAAA and TFMAA. are amenable to insertion. Polymerization of ethylene with MAAA, TFMAA, acetamidoacrylic acid, 2-bromoacrylic acid, dimethyl allylmalonate, and allylmalonic acid was catalyzed by [{P boolean AND O}PdMe(L)] (L = C2H3N) (S.ACN), and the highest incorporation of 11.8\% was observed for dimethyl allylmalonate (DMAM). The changes in the surface properties of the copolymers after incorporation of difunctional olefins were evaluated by measuring the water contact angle. Copolymer with highest (11.8\% of DMAM) incorporation revealed a reduced water contact angle of 76 degrees. These findings demonstrate that 1,1-disubstituted difunctional olefins are amenable to polymerization, and incorporation of difunctional olefins In polyethylene backbone leads to the production of relatively hydrophilic polyethylene copolymers.}, doi = {10.1021/acs.macromol.7b01356}, author = {Gaikwad, Shahaji R. and Deshmukh, Satej S. and Koshti, Vijay S. and Poddar, Suparna and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Chikkali, Samir H.} } @article {44044, title = {Recovery of radio-cesium from actual high level liquid waste using solvents containing calix[4]arene-crown-6 ligands}, journal = {Journal of Environmental Chemical Engineering}, volume = {5}, year = {2017}, month = {AUG}, chapter = {4134-4140}, abstract = {

This paper gives two methods, viz. a solvent extraction method and a hollow fiber contactor based liquid membrane method, for the separation of radio-cesium from actual high level liquid waste (HLLW) solutions using calix[4]arene-crown-6 based solvent systems. While the solvent extraction method involved calix[4]arene-bis-benzo-crwon-6 (CBC) in PTMS (phenyltrifluoromethyl sulphone), the hollow fiber supported liquid membrane method used a polysulphone fiber containing contactor and bis-octyl-benzo-calix[4]arene-mono-crown-6 (CMC) in 40\% iso-decanol + 60\% n-dodecane. Both methods reported selective radio-cesium separation with almost no contamination from the associated fission product radionuclides. The radiolytic stability of the hollow fiber contactor was checked by keeping the contactor module in contact with the diluted HLLW for 50 days. The second run carried out after 50 days resulted in excellent reproducibility suggesting efficacy of this method for radioactive waste remediation.

}, keywords = {137Cs, Calix-crown-6, Cesium, fibers, Fission products, Hollow fiber contactor, Liquid membranes, liquids, PUREX-HLLW, Radioactive wastesSolvent extraction, solvent extraction, Solvents}, issn = {2213-3437}, doi = {10.1016/j.jece.2017.07.055}, author = {Jagasia, P. and Dhami, P. S. and Mohapatra, P. K. and Ansari, S. A. and Jadhav, S. Y. and Kalyankar, G. K. and Gandhi, P. M. and Kharul, U. K.} } @article {43668, title = {Reductive activation of O-2 by a bioinspired Fe complex for catalytic epoxidation reactions}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {MAY}, pages = {5914-5917}, type = {Article}, abstract = {Aerobic epoxidation of olefins catalyzed by iron complexes without the use of a sacrificial coreductant is unknown. We report the reductive activation of O-2 by a bioinspired [(bTAML)Fe-III(H2O)](-) (1) complex to catalyze the epoxidation of alkenes with TONs of up to 80. Spectroscopic and kinetic evidence indicates the involvement of FeV(O) as the active oxidant during the reaction.}, doi = {10.1039/c7cc00933j}, author = {Singh, Kundan K. and Sen Gupta, Sayam} } @article {43998, title = {Removal of endrin and dieldrin isomeric pesticides through stereoselective adsorption behavior on the graphene oxide-magnetic nanoparticles}, journal = {Environmental Science and Pollution Research}, year = {2017}, month = {SEP}, pages = {1-9}, type = {Article in Press}, abstract = {

A novel stereoselective removal behavior of isomeric endrin and dieldrin pesticides from sample solution is demonstrated using nanocomposite of graphene oxide (GO) and iron oxide (Fe3O4) magnetic nanoparticles (MNPs). The removal efficiency of endrin and dieldrin was found higher when GO-MNPs was used as a separating probe than the individual use of GO and MNPs. The removal efficiency of both the pesticides was found to be more favorable when the dosage amount of GO-MNPs was 30 mg for 30-min contact time with pH 4.0 at room temperature. The good correlation of determination (R2) with 0.975 and 0.973 values obtained for endrin and dieldrin, respectively demonstrated a well fitting of Langmuir adsorption isotherm model. The higher removal percentage (86.0\%) and higher slope value of Langmuir adsorption isotherm were estimated for endrin compared to dieldrin (74.0\%). The reason for higher adsorption percentage of endrin is due to the endo-position of oxygen atom in molecule favors more interaction of molecules with GO-MNPs compared to the exo-position of oxygen present in dieldrin. In addition, the higher value of R2 for endrin and dieldrin demonstrated better suitability of pseudo-first-order and pseudo-second-order kinetic models, respectively. The advantages of the present method are use of simple UV-vis spectrophotometry for monitoring and low-cost use of GO-MNPs nanomaterial for the removal of pesticides from sample solution. {\textcopyright} 2017 Springer-Verlag GmbH Germany

}, keywords = {Dieldrin, Endrin, Isomeric Pesticides, Removal}, doi = { 10.1007/s11356-017-0159-z}, author = {Shrivas, K. and Ghosale, A. and Nirmalkar, N. and Srivastava, A and Singh, S. K. and Shinde, S. S.} } @article {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 {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 {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 {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 {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 {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 {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 {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 {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 {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 {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 {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 {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 {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 {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 {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 {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 {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 {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.} } @inbook {43985, title = {Targeted quantification of the glycated peptides of human serum albumin}, booktitle = {Methods in Molecular Biology }, year = {2017}, pages = {403-416}, chapter = {Serum/Plasma Proteomics}, abstract = {

Glycated human serum albumin (HSA) serves as an important marker for monitoring the glycemic status. Developing methods for unambiguous identification and quantification of glycated peptides of HSA using high-throughput technologies such as mass spectrometry has a great clinical significance. The following protocol describes the construction of reference spectral libraries for Amadori-modified lysine (AML), N(ε)-(carboxymethyl) lysine (CML)-, and N(ε)-(carboxyethyl)lysine (CEL)-modified peptides of synthetically modified HSA using high-resolution mass spectrometers. The protocol also describes work flows, for unambiguous identification and quantification of glycated modified peptides of HSA in clinical plasma using standard spectral libraries by various mass spectrometry approaches such as parallel reaction monitoring (PRM), sequential window acquisition of all theoretical fragment ion spectra (SWATH), and MSE.

}, doi = {10.1007/978-1-4939-7057-5_28}, author = {Garikapati, Vannuruswamy and Korwar, Arvind M. and Jagadeeshaprasad, Mashanipalya G. and Kulkarni, Mahesh J.} } @article {43645, title = {Thermally conductive thin films derived from defect free graphene-natural rubber latex nanocomposite: preparation and properties}, journal = {Carbon}, volume = {119}, year = {2017}, month = {AUG}, pages = {527-534}, abstract = {Commercially useful rubber products viz. gloves, condoms, tyres, and rubber hoses used in high temperature environments, etc., require efficient thermal conductivity, which increases the lifetime of these products. Graphene can fetch this property, if it is effectively incorporated into the rubber matrix. The great challenge in preparing graphene-rubber nanocomposites is formulating a scalable method to produce defect free graphene and its homogeneous dispersion into polymer matrices through an aqueous medium. Here, we used a simple method to produce defect free few layer (2-5) graphene, which can be easily dispersed into natural rubber (NR) latex without adversely affecting its colloidal stability. The resulting new composite showed large increase in thermal conductivity (480-980\%) along with 40\% increase in tensile properties and 60\% improvement in electrical conductivity. This study provides a novel and generalized approach for the preparation of graphene based thermally conductive rubber nanocomposites. (C) 2017 The Authors. Published by Elsevier Ltd.}, doi = {10.1016/j.carbon.2017.04.068}, author = {George, Gejo and Sisupal, Suja Bhargavan and Tomy, Teenu and Pottammal, Bincy Akkoli and Kumaran, Alaganandam and Suvekbala, Vemparthan and Gopimohan, Rajmohan and Sivaram, Swaminathan and Ragupathy, Lakshminarayanan} } @article {43901, title = {Thermotropic liquid crystalline polyesters derived from 2-chloro hydroquinone}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {SEP}, chapter = {1461-1468}, abstract = {

Synthesis of thermotropic liquid crystalline polyesters derived from bis[4-hydroxy benzoyloxy]-2-chloro-1,4-benzene (BHBOCB) and aliphatic dicarboxylic acid chlorides by interfacial polycondensation methodology is presented. Synthesised polyesters consist of bis[4-hydroxy benzoyloxy]-2-chloro-1,4-benzene as a mesogen and aliphatic diacid chloride as flexible spacer. The length of oligomethylene units in the polymer was varied from the trimethylene to the dodecamethylene groups. Synthesized polyesters were characterized by differential scanning calorimetry and optical microscopy. The transition temperatures and thermodynamic properties were studied for all these polymers. These polyesters exhibited thermotropic liquid crystalline behavior and showed nematic texture except decamethylene spacer. Decamethylene spacer based polyester showed marble texture of smectic C. Mesophase stability of these polyesters was higher than (except first heating cycle of PE-1).\ 

SYNOPSIS The present study deals with the synthesis of thermotropic liquid crystalline polyesters derived from bis[4-hydroxy benzoyloxy]-2-chloro-1,4-benzene (BHBOCB) and aliphatic dicarboxylic acid chlorides by interfacial polycondensation methodology.

}, keywords = {acid, Aliphatic Flexible Spacers Main-chain, Aromatic Mesogen, Elastomer, Morphology, Polydomain, Polymers, Thermotropic Liquid Crystalline Polyesters, Units}, doi = {10.1007/s12039-017-1342-y}, author = {Manurkar, Nagesh and More, Sayaji and Mulani, Khudbudin and Ganjave, Nitin and Chavan, Nayaku} } @article {43888, title = {TiO2/RGO composites: Its achievement and factors involved in hydrogen production}, journal = {Renewable \&sustainable energy reviews}, volume = {76}, year = {2017}, month = {SEP}, pages = {1384-1392}, type = {Article}, abstract = {

The immense potential shown by TiO2 to participate as a designer material resulting into a new class of high performing photocatalyst has acclaimed it to become an important player in the designing and synthesis of various solar harvesting materials. This role has further been explored by the introduction of graphene into TiO2 matrix. TiO2/reduced graphene oxide (TiO2/RGO) or TiO2/graphene (TiO2/GR) has shown its prospects or relevance to be considered as the next generation photocatalyst for hydrogen production by its reported values in terms of producing hydrogen gas. Hence, there is a requirement of having a detailed up to date write up on the work done in this area in terms of its synthetic procedures, properties and its effect on hydrogen production. Herein, we discuss the different methods involved in the synthesis of such highly efficient materials followed by a brief explanation on its structural and morphological properties. Furthermore, a comparative study on the recent developments in terms of hydrogen evolution efficiency along with a mechanistic approach is also described. Finally, the current challenge and possibility of the future development in this direction is emphasized.

}, keywords = {Au-tio2 Photocatalysts, Evolution, Generation, graphene, Hydrogen generation, Nanocomposite, Nitrogen-doped Tio2, Photocatalysis, Photocatalytic H-2 Production, Recent Progress, Reduced graphene oxide, TiO2, Tio2-graphene Nanocomposites, Visible-light Irradiation, Water}, issn = {1364-0321}, doi = {10.1016/j.rser.2017.03.1}, author = {Gupta, Bhavana and Melvin, Ambrose A.} } @article {43799, title = {Transcriptional transitions in alphonso mango (Mangifera indica L.) during fruit development and ripening explain its distinct aroma and shelf life characteristics}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {AUG}, type = {Article}, abstract = {Alphonso is known as the "King of mangos" due to its unique flavor, attractive color, low fiber pulp and long shelf life. We analyzed the transcriptome of Alphonso mango through Illumina sequencing from seven stages of fruit development and ripening as well as flower. Total transcriptome data from these stages ranged between 65 and 143 Mb. Importantly, 20,755 unique transcripts were annotated and 4,611 were assigned enzyme commission numbers, which encoded 142 biological pathways. These included ethylene and flavor related secondary metabolite biosynthesis pathways, as well as those involved in metabolism of starch, sucrose, amino acids and fatty acids. Differential regulation ( p-value <= 0.05) of thousands of transcripts was evident in various stages of fruit development and ripening. Novel transcripts for biosynthesis of mono-terpenes, sesqui-terpenes, di-terpenes, lactones and furanones involved in flavor formation were identified. Large number of transcripts encoding cell wall modifying enzymes was found to be steady in their expression, while few were differentially regulated through these stages. Novel 79 transcripts of inhibitors of cell wall modifying enzymes were simultaneously detected throughout Alphonso fruit development and ripening, suggesting controlled activity of these enzymes involved in fruit softening.}, doi = {10.1038/s41598-017-08499-5}, author = {Deshpande, Ashish B. and Anamika, Krishanpal and Jha, Vineet and Chidley, Hemangi G. and Oak, Pranjali S. and Kadoo, Narendra Y. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article {43490, title = {Triazine-based highly stable AADD-type self-complementary quadruple hydrogen-bonded systems devoid of prototropy}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {JAN}, pages = {783-787}, abstract = {

A new class of 1,3,5-triazine-based quadruple hydrogen-bonded system featuring AADD-type self-complementary arrays has been developed and characterized. This system forms highly stable molecular duplex in non-polar solvent (K-dim \> 1.9 x 10(7) M-1 in CDCl3) without prototropy-related issues, raising its prospects for application in supramolecular polymer science.

}, doi = {10.1002/chem.201605208}, author = {Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {43536, title = {Tubulointerstitial nephritis antigen-like 1 protein is downregulated in the placenta of pre-eclamptic women}, journal = {Clinical Proteomics}, volume = {14}, year = {2017}, month = {MAR}, pages = {Article Number: 8}, abstract = {Background: Tubulointerstitial nephritis antigen-like 1 protein (TINAGL1), is a matricellular protein, known to play role in cell adhesion and cell receptor interaction. Research related to TINAGL1 is limited to cell culture and animal models. Demonstration of TINAGL1 as a positive regulator of angiogenesis and its expression in the decidua of postimplantation mouse uterus, prompted us to validate its expression in human placenta during impaired angiogenesis in pre-eclamptic condition. Methods: Placental tissue from normotensive (n = 25) and pre-eclamptic (n = 25) pregnancies were used to study the differentially expressed proteins by two-dimensional gel electrophoresis and TINAGL1 protein was validated with Western blotting. Results: A total of 55 protein spots were differentially expressed (fold change > 1.5, p < 0.05), of which 27 were upregulated and 28 were downregulated in the pre-eclamptic placenta. TINAGL1 was found to be downregulated in pre-eclamptic compared to normotensive pregnant women. Conclusion: This is the first study reporting TINAGL1 to be present in human placenta and differentially expressed in pre-eclamptic condition. The functional role of TINAGL1 in association to human pregnancy needs to be explored further.}, doi = {10.1186/s12014-017-9144-2}, author = {Mary, Sheon and Kulkarni, Mahesh J. and Mehendale, Savita S. and Joshi, Sadhana R. and Giri, Ashok P.} } @article {43793, title = {Ultrahigh ionic conduction in water-stable close-packed metal-carbonate frameworks}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {AUG}, pages = {9710-9715}, type = {Article}, abstract = {Utilization of the robust metal-carbonate backbone in a series of water-stable, anionic frameworks has been harnessed for the function of highly efficient solid-state ion conduction. The compact organization of hydrophilic guest ions facilitates water-assisted ion-conduction in all the compounds. The dense packing of the compounds imparts high ion-conducting ability and minimizes the possibility of fuel crossover, making this approach promising for design and development of compounds as potential components of energy devices. This work presents the first report of evaluating ion-conduction in a purely metal-carbonate framework, which exhibits high ion-conductivity on the order of 10(-2) S cm(-1) along with very low activation energy, which is comparable to highly conducting well-known crystalline coordination polymers or commercialized organic polymers like Nafion.}, doi = {10.1021/acs.inorgchem.7b01217}, author = {Manna, Biplab and Desai, Aamod V. and Illathvalappil, Rajith and Gupta, Kriti and Sen, Arunabha and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article {43720, title = {Understanding the factors influencing quality of writing and wiping for chalk and board system}, journal = {Current Science}, volume = {112}, year = {2017}, month = {APR}, pages = {1727-1737}, type = {Article}, abstract = {This article reports the properties of a calcium carbonate-based writing chalk prepared at the CSIR-Central Salt and Marine Chemicals Research Institute (CSIR-CSMCRI) and, further, our efforts to understand the process of writing with the chalk on two different boards. The optimum density of the chalk was found to be 1.52 g ml(-1), keeping in mind the careful balancing act between strength and dust-free nature of the chalk on one hand, and the ease of particle transfer onto the board on the other. Writing with the chalk yielded thin and compact appearance on a ceramic board, while that on a polymeric board was relatively broad and dispersed. Atomic force and scanning electron microscopic studies were carried out to rationalize the observation by correlating roughness on the board with the distribution of chalk particles. Wiping efficiency of the polyurethane-based duster prepared at CSIR-CSMCRI was compared with commercial duster, and the observations rationalized again with the scanning electron microscopy.}, doi = {10.18520/cs/v112/i08/1727-1737}, author = {Thakur, Rajendra S. and Shukla, Jignesh J. and Desale, Girish R. and Ghosh, Pushpito K.} } @article {45733, title = {Unified approach to fused and spirocyclic oxindoles through lewis-acid-promoted opening of spiroepoxyoxindoles with allylsilanes: application to the formal synthesis of (+/-)-physovenine}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {MAY }, pages = {2603-2609}, type = {Article}, abstract = {

A protocol for the construction of oxindoles containing all-carbon quaternary centres in a highly regioselective manner has been developed. The reaction involves opening of spiroepoxyoxindoles with allylsilanes to give Hosomi-Sakurai-type products as well as new silicon-containing spirocyclic oxindoles. A formal synthesis of (+/-)-physovenine was accomplished in five steps using this protocol.

}, keywords = {alkaloids, Allylation, annulation, Lewis acids, spiro compounds}, issn = {1434-193X}, doi = {10.1002/ejoc.201700259}, author = {Sharma, Brijesh M. and Yadav, Mahesh and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {43866, title = {Unprecedented solvent induced inter-conversion between monomeric and dimeric silylene-zinc iodide adducts}, journal = {Dalton Transaction }, volume = {46}, year = {2017}, month = {SEP}, chapter = {11418-11424}, abstract = {

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

}, keywords = {Bis(Silylene ), Carbene Complexes, Crystal -structure Determination, Dative bond, Lewis acid base reaction, Ligands, Main- group compounds, Reactivity, Silicon(II) Bis(Trimethylsilyl)Amide; Carbonyl-Complexes}, issn = {1477-9226}, doi = {10.1039/c7dt01823a}, author = {Yadav, Sandeep and Sangtani, Ekta and Dhawan, Diksha and Gonnade, Rajesh G. and Ghosh, Debashree and Sen, Sakya S.} } @conference {45758, title = {Unraveling structure sensitivity in phenol hydrogenaton on Pd nanostructures}, booktitle = {253rd National Meeting of the American-Chemical-Society (ACS) on Advanced Materials, Technologies, Systems, and Processes}, year = {2017}, month = {APR }, publisher = {Amer Chemical Soc, 1155 16TH ST, NW, Washington, DC 20036 USA}, organization = {Amer Chemical Soc, 1155 16TH ST, NW, Washington, DC 20036 USA}, address = {San Francisco, CA}, author = {Haider, M. Ali and Seshadri, Sreedhala and Gupta, Shelaka and Khan, Tuhin and Prabhakaran, Vinod} } @article {44407, title = {Vapor-liquid equilibrium data for binary mixtures of dimethyl carbonate with methyl acetate, ethyl acetate, n-propyl acetate, isopropyl acetate, n-butyl acetate, and isoamyl acetate at 93.13 kPa}, journal = {Journal of Chemical and Engineering Data}, volume = {62}, year = {2017}, month = {DEC}, pages = {4356-4363}, abstract = {Isobaric vapor-liquid equilibrium (VLE) data was measured at the local atmospheric pressure of 93.13 kPa for the binary systems of dimethyl carbonate (DMC) with methyl acetate, ethyl acetate, n-propyl acetate, isopropyl acetate, n-butyl acetate, and isoamyl acetate using a dynamic recirculation still. VLE data was generated in the form of T-x,y and was checked for thermodynamic consistency using the Herington area test, Van Ness test, and mean absolute deviation between experimental and calculated total pressure and vapor phase composition. Data for all pairs meet the criteria for thermodynamic consistency and were found suitable for process modeling. Binary interaction parameters for the Wilson, nonrandom two-liquid (NRTL), and universal quasichemical (UNIQUAC) activity coefficient models were determined using the objective function of minimizing the deviation between the experimental and the calculated vapor phase composition and total pressure. For all binary systems, Wilson, NRTL, and UNIQUAC models gave good predictions. Azeotropic behavior was observed for the isopropyl acetate-DMC pair at 357.8 K and 0.6 mole fraction of isopropyl acetate.}, doi = {10.1021/acs.jced.7b00704}, author = {Mali, Nilesh A. and Yadav, Satyajeet S. and Ghuge, Pravin D. and Joshi, Sunil. S.} } @article {44029, title = {Viable alternative in vitro system and comparative metabolite profiling of different tissues for the conservation of ceropegia karulensis}, journal = {Plant Cell, Tissue and Organ Culture}, year = {2017}, month = {AUG}, pages = {1-15}, type = {Article}, abstract = {Abstract: Ceropegia karulensis is an endemic and critically endangered plant of the Western Ghats from India. Exploitation of the tubers and poor regeneration from seed has narrowed distribution and propagation of the species. There is a need to develop in vitro propagation methods for C. karulensis to alleviate these problems. Here, we optimized callus induction, somatic embryogenesis and microtuberization from different seedling explants viz. cotyledonary leaf and root. The environmental scanning electron microscopy was used to observe somatic embryonic origin and their developmental stages. Highest callus proliferation was recorded with 2 {\textmu}M 6-benzylaminopurine and 1 {\textmu}M 2,4-dichlorophenoxyacetic acid. Somatic embryos derived from cotyledonary leaf explants were more proliferative than root explants. The combination of 2 {\textmu}M 6-benzylaminopurine, 2 {\textmu}M naphthalene acetic acid and 7\% sucrose in MS media resulted in highest microtuberization. Further, gas chromatography-mass spectrometry based metabolic profiling was carried out from native wild plants and in vitro callus tissues which identified various phytochemicals such as alkaloids, fatty acids, esters alcohols, etc. Multivariate analysis revealed the chemical disparities, where considerable variations were observed between native wild type and in vitro tissues, but no significant differences were found among in vitro callus from both root and cotyledonary explants. Overall, our results suggested that the production of various secondary metabolites found in C. karulensis was not affected by in vitro propagation and could be utilized in the conservation strategies for this plant. Graphical Abstract: [Figure not available: see fulltext.]}, keywords = {alkaloids, Metabolites}, doi = {10.1007/s11240-017-1292-6}, author = {Pandey, M. and Jayaramaiah, R.H. and Dholakia, B.B and Punekar, S.A. and Giri, A.P.} } @article {43936, title = {Vitro study of novel microparticle based silk fibroin scaffold with osteoblast-like cells for load-bearing osteo-regenerative applications}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {MAY}, pages = {26551 - 26558}, type = {Article}, abstract = {Silk Fibroin (SF) is today considered to be one of the most favorable materials for bone tissue engineering. We have prepared novel SF microparticle based 3D scaffolds, with appropriate pore size, pore interconnectivity and porosity, excellent mechanical properties and tunable bioresorption, while retaining the inherent biocompatibility of SF. These properties make them ideal candidates for osteoregenerative applications. Here, we report the in vitro cell viability, cell adhesion and proliferation with osetoblastic differentiation of MG 63 osteoblast-like cell line on these scaffolds. In addition, we have also modified the surface of these scaffolds using collagen type I and chitosan biopolymers. Our results show that although the SF scaffold does support in vitro cell attachment, proliferation and differentiation, this performance can be further enhanced using the surface coating approach. Also, the ALP activity and bone mineralization was found to be particularly superior in the chitosan modified scaffolds.}, doi = {10.1039/c7ra03288a}, author = {Parekh, Nimisha Anant and Hushye, Chandni and Warunkar, Saniya and Gupta, Sayam Sen and Nisal, Anuya} } @article {43814, title = {Water mediated deactivation of Co3O4 naonrods catalyst for CO oxidation and resumption of activity at and above 373 K: electronic structural aspects by NAPPES}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {SEP}, pages = {20296{\textendash}20305}, type = {Journal Article}, chapter = {20296-20305}, abstract = {

The catalytic activity of the Co3O4 nanorods (NRs) for the CO oxidation reaction and the effect of water on the catalytic reaction have been explored with near-ambient pressure photoelectron spectroscopy (NAPPES) and mass spectral analysis. Comparative NAPPES studies have been employed to understand the elucidation of the catalytic reaction pathway and the evolution of various surface species. The results confirm the suppression of the CO oxidation activity on the Co3O4 NRs in the presence of water vapor. Various type of surface species, such as CO(ads), hydroxyl, carbonate, formate, are found to be present on the catalyst surface depending on the reaction conditions. Vibrational features of CO, O-2, and CO, were observed and shift in binding energy of these features under the reaction conditions directly suggests a change in work function of the catalyst surface. Under dry conditions, CO couples with labile 0 atoms to form CO2; however, under wet conditions, CO predominantly interacts with surface OH groups resulting in the formation of carbonate and formate intermediates. In situ studies of oxidation of CO on Co3O4 shows that CO oxidation depends not only on surface Co3+ concentration but also influenced by Co-3/Co{\textquoteright} ratio on the catalyst surface. The carbonate was found to be a reaction inhibitor at room temperature; however, it acts as an active intermediate at 375 K and above. Above the boiling point of water, Co3O4 NR surfaces begin to show the oxidation activity even in the presence of water vapor. The intrinsic role of intermediate species was used to derive a possible reaction mechanism under different reaction conditions.

}, keywords = {Ambinent-temprature, carbon monoxide, Gas Shift, H Activation, In-situ, Low-temprature oxidation, Molecular-beam, Performance enhancement, Ray Photoelectron-Spectroscopyu, Thin-films}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b05480}, author = {Jain, Ruchi and Reddy, Kasala Prabhakar and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S.} } @article {43965, title = {X-ray structure, spectral characteristics, thermal and redox behavior of quinoline encapsulated in sulfonatocalix[4]arene}, journal = {Journal of Molecular Liquids}, volume = {246}, year = {2017}, month = {NOV}, pages = {187-196}, type = {Journal Article}, keywords = {Crystal Structure Analysis, Partial Encapsulation, single crystal X-ray diffraction, Spectral Characteristics, Sulfanatocalixarene, Theoretical Calculations}, doi = { 10.1016/j.molliq.2017.09.061}, author = {Thorave, R. G.}, editor = {Lande, D.N.} } @article {44408, title = {ZnO{\textendash}ZnS heterojunctions: a potential candidate for optoelectronics applications and mineralization of endocrine disruptors in direct sunlight}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {OCT}, pages = {6768{\textendash}6781}, type = {Article}, abstract = {

Simple solution combustion synthesis was adopted to synthesize ZnO{\textendash}ZnS (ZSx) nanocomposites using zinc nitrate as an oxidant and a mixture of urea and thiourea as a fuel. A large thiourea/urea ratio leads to more ZnS in ZSx with heterojunctions between ZnS and ZnO and throughout the bulk; tunable ZnS crystallite size and textural properties are an added advantage. The amount of ZnS in ZSx can be varied by simply changing the thiourea content. Although ZnO and ZnS are wide band gap semiconductors, ZSx exhibits visible light absorption, at least up to 525 nm. This demonstrates an effective reduction of the optical band gap and substantial changes in its electronic structure. Raman spectroscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and secondary-ion mass spectrometry results show features due to ZnO and ZnS and confirm the composite nature with heterojunctions. The above mentioned observations demonstrate the multifunctional nature of ZSx. Bare ZSx exhibits a promising sunlight-driven photocatalytic activity for complete mineralization of endocrine disruptors such as 2,4-dichlorophenol and endosulphan. ZSx also exhibits photocurrent generation at no applied bias. Dye-sensitized solar cell performance evaluation with ZSx shows up to 4\% efficiency and 48\% incident photon conversion efficiency. Heterojunctions observed between ZnO and ZnS nanocrystallites in high-resolution transmission electron microscopy suggest the reason for effective separation of electron{\textendash}hole pairs and their utilization.

}, doi = {10.1021/acsomega.7b01172}, author = {Perumal Devaraji and Maitri Mapa and Hasna M. Abdul Hakkeem and Vediappan Sudhakar and Kothandam Krishnamoorthy and Chinnakonda S. Gopinath} } @article {45522, title = {1H, 13C and 15N NMR assignments of two plant protease inhibitors (IRD7 and IRD12) from the plant capsicum annuum.}, journal = {Biomolecular NMR Assignments}, volume = {13}, year = {2018}, month = {APR}, pages = {31-35}, type = {Article}, abstract = {

Helicoverpa species are polyphagous pests, with the larval stages causing major damage to economically valuable crops such as cotton, tomato, corn, sorghum, peas, sunflower, wheat and other pulses. Over the years, Helicoverpa armigera has developed resistance to most classes of chemical insecticides, and consequently it is now largely controlled on cotton plants via the use of Bt transgenic crops that express insecticidal Cry toxins which in-turn expedited resistance development in a number of pest species including H. armigera. In a hope to provide other eco-friendly alternatives solutions to counter the effect of the pest, people have identified a number of protease inhibitors (PIs) from the domesticated capsicum species Capsicum annuum, several of which potently inhibited H. armigera gut proteases and impeded growth of H. armigera larva. With a view to explore and enhance the specific nature or properties of these PIs on the mechanism of inhibition, structural and functional characterization of these PIs are inevitable. Towards this goal, we have carried out complete 1H, 13C and 15N resonance assignments of two of these PIs, identified as IRD7 and IRD12, using a suite of 2D and 3D multi-dimensional and multi-nuclear NMR experiments.

}, keywords = {Bt transgenic, Hetero-nuclear NMR, inhibitory repeating domains, Protease inhibitors (PIs), Resonance assignments}, issn = {1874-2718}, doi = {10.1007/s12104-018-9846-z}, author = {Gartia, J. and Barnwal, R.P. and Anangi, R. and Giri, A.R. and King, G. and Chary, K.V.R.} } @article {45362, title = {Accelerated and enantioselective synthesis of a library of p-stereogenic urea phosphines}, journal = {European Journal Of Organic Chemistry}, year = {2018}, month = {DEC}, pages = {6768-6779}, type = {Article}, abstract = {Chiral phosphorus ligands play a central role in majority of the asymmetric transformations. However, access to chiral phosphorus ligands is limited due to their challenging synthesis. Reported here is a highly efficient and accelerated catalytic asymmetric synthesis of P-stereogenic urea containing phosphines leading to a small library of 18 chiral phosphorus compounds. Characteristic two doublets in a P-31 NMR spectrum, spectroscopic and analytical evidences authenticated the formation of [Pd-{(S,S) Me-FerroLANE}(m-phenylurea)(I)] complex. Indeed, [Pd-{(S,S) Me-FerroLANE}(m-phenylurea)(I)] was found to catalyze the C-P coupling reaction and quantitative conversion was observed within 18 hours. Under optimized conditions, iodophenyl urea{\textquoteright}s (2a-2j) were treated with secondary phosphines (1a-1c) in presence of [Pd-{(S,S) Me-FerroLANE}(m-phenylurea)(I)] to obtain P-stereogenic urea phosphines 5a-5r. The identity of these urea derived phosphines was unambiguously ascertained using a combination of spectroscopic and analytical methods. The catalyst tolerated various functional groups and yielded corresponding urea containing phosphines with an enantiomeric excess in the range of 15-62 \%.}, issn = { 1434-193X}, doi = {10.1002/ejoc.201801309}, author = {Koshti, Vijay S. and Gote, Ravindra P. and Chikkali, Samir H.} } @article {44162, title = {Active and durable alkaline earth metal substituted perovskite catalysts for dry reforming of methane}, journal = {Applied Catalysis B - Environmental}, volume = {224}, year = {2018}, month = {MAY}, pages = {146-158}, type = {Article}, abstract = {Dry reforming of methane is an important process for the utilization of CO2 and to get valuable synthesis gas. Alkaline earth metal substituted MZr1-xNixO3-delta perovskites were synthesized by citrate gel method, characterized and evaluated for dry reforming methane. Characterization results show that the type of alkaline earth substituted at the A site of the perovskite oxide plays an important role in terms of structure, basicity, oxygen deficiency and Ni dispersion. Calcium substituted CaZr0.8Ni0.2O3-delta catalyst shows superior activity in terms of high CH4 and CO2 conversion, while maintaining the activity even after 500 h of reaction. Mechanistic investigations were carried out using transient pulse experiments and insitu FTIR-diffuse reflectance spectroscopy. These experiments reveal that redox property and basicity play important role in activation and sustaining the reforming reaction. Insitu FTIR measurements show that surface hydroxyl groups of the support are vital for high activity and durability of CaZr0.8Ni0.2O3-delta catalyst. XRD and TGA analysis of catalysts after reaction show the structures are retained, but peaks pertaining to coke were observed on SrZr0.8Ni0.2O3-delta and BaZr0.8Ni0.2O3-delta catalysts. On the otherhand, CaZr0.8Ni0.2O3-delta catalyst had only amorphous carbon even after 500 h of reaction. HRTEM studies revealed that SrZr0.8Ni0.2O3-delta and BaZr0.8Ni0.2O3-delta catalysts deactivated mostly due to the formation of carbon nanotubes with Ni embedded in them. Raman and XPS analysis helped in identifying types of coke precursors present on the catalysts. The investigation also illustrate that type of carbon formed depends on the basicity of perovskite oxide, metal to support interaction, Ni crystallite size, surface hydroxyl groups and oxygen defects. This study clearly demonstrated that CaZr0.8Ni0.2O3-delta is an excellent catalyst for dry reforming reaction with long life.}, doi = {10.1016/j.apcatb.2017.10.048}, author = {Dama, Srikanth and Ghodke, Seema R. and Bobade, Richa and Gurav, Hanmant R. and Chilukuri, Satyanarayana} } @article {44385, title = {Advanced glycation end products modulate amyloidogenic APP processing and tau phosphorylation: a mechanistic link between glycation and the development of alzheimer{\textquoteright}s disease}, journal = {ACS Chemical Neuroscience}, volume = {9}, year = {2018}, month = {MAY}, pages = {988-1000}, abstract = {Advanced glycation end products (AGEs) are implicated in the pathology of Alzheimer{\textquoteright}s disease (AD), as they induce neurodegeneration following interaction with the receptor for AGE (RAGE). This study aimed to establish a mechanistic link between AGE-RAGE signaling and AD pathology. AGE-induced changes in the neuro2a proteome were monitored by SWATH-MS. Western blotting and cell-based reporter assays were used to investigate AGE-RAGE regulated APP processing and tau phosphorylation in primary cortical neurons. Selected protein expression was validated in brain samples affected by AD. The AGE-RAGE axis altered proteome included increased expression of cathepsin B and asparagine endopeptidase (AEP), which mediated an increase in A beta(1-)(42) formation and tau phosphorylation, respectively. Elevated cathepsin B, AEP, RAGE, and pTau levels were found in human AD brain, coincident with enhanced AGEs. This study demonstrates that the AGE-RAGE axis regulates A beta(1-)(42) formation and tau phosphorylation via increased cathepsin B and AEP, providing a new molecular link between AGEs and AD pathology.}, doi = {10.1021/acschemneuro.7b00410}, author = {Batkulwar, Kedar and Godbole, Rashmi and Banarjee, Reema and Kassaar, Omar and Williams, Robert J. and Kulkarni, Mahesh J.} } @article {44419, title = {Aluminium oxide supported on SBA15 molecular sieves as potential lewis acid catalysts for epoxidering opening using aniline}, journal = {Catalysis Letters}, volume = {148}, year = {2018}, month = {MAY}, pages = {1407-1415}, abstract = {A series of aluminium oxide (Al2O3)-supported SBA-15 molecular sieves were prepared using a one-step wet-impregnation method. Powder X-ray diffraction, nitrogen adsorption/desorption, infrared spectroscopy and ammonia TPD were used to investigate the structures and chemical natures of the surface-bound species. The FT-IR studies of metal-impregnated SBA-15 materials revealed strong covalent interaction of Al2O3 on SBA-15 materials with strong Lewis acidic properties, evident from ammonia-TPD studies. The metal oxide-supported SBA-15 catalysts are active for epoxide ring opening with aniline at room temperature, and showed remarkably high stability and selectivity towards mono-alkylated products (about 86\%) viz., 1-(phenylamino)propan-2-ol and 2-(phenylamino)propan-1-ol. The catalytic activities remained intact after several recycles. The observed activities and selectivities were compared with other metal oxide-loaded SBA-15 catalysts obtained by similar preparation methods. Aluminium oxide supported SBA-15 molecular sieves were prepared using a one-step wet-impregnation method. The materials showed strong Lewis acidic sites and promising catalytic activity for epoxide ring opening with aniline at room temperature. }, doi = {10.1007/s10562-018-2366-8}, author = {Yadav, Rekha and Muralidhar, Akhila and Shamna, A. and Aghila, P. and Gurrala, Lakshmiprasad and Sakthivel, Ayyamperumal} } @article {44422, title = {Analysis of tail-anchored protein translocation pathway in plants}, journal = {Biochemistry and Biophysics Reports }, volume = {14}, year = {2018}, month = {JUL}, pages = {161-167}, abstract = {Tail-anchored (TA) proteins are a special class of membrane proteins that carry out vital functions in all living cells. Targeting mechanisms of TA proteins are investigated as the best example for post-translational protein targeting in yeast. Of the several mechanisms, Guided Entry of Tail-anchored protein (GET) pathway plays a major role in TA protein targeting. Many in silico and in vivo analyses are geared to identify TA proteins and their targeting mechanisms in different systems including Arabidopsis thaliana. Yet, crop plants that grow in specific and/or different conditions are not investigated for the presence of TA proteins and GET pathway. This study majorly investigates GET pathway in two crop plants, Oryza sativa subsp. Indica and Solanum tuberosum, through detailed in silico analysis. 508 and 912 TA proteins are identified in Oryza sativa subsp. Indica and Solanum tuberosum respectively and their localization with respect to endoplasmic reticulum (ER), mitochondria, and chloroplast has been delineated. Similarly, the associated GET proteins are identified (Get1, Get3 and Get4) and their structural inferences are elucidated using homology modelling. Get3 models are based on yeast Get3. The cytoplasmic Get3 from O. sativa is identified to be very similar to yeast Get3 with conserved P-loop and TA binding groove. Three cytoplasmic Get3s are identified for S. tuberosum. Taken together, this is the first study to identify TA proteins and GET components in Oryza sativa subsp. Indica and Solanum tuberosum, forming the basis for any further experimental characterization of TA targeting and GET pathway mechanisms in crop plants. }, doi = {10.1016/j.bbrep.2018.05.001}, author = {Manu, M. S. and Ghosh, Deepanjan and Chaudhari, Bhushan P. and Ramasamy, Sureshkumar} } @article {44229, title = {Application of genetic programming (GP) formalism for building disease predictive models from protein-protein interactions (PPI) data}, journal = {IEEE-ACM Transactions on Computational Biology and Bioinformatics}, volume = {15}, year = {2018}, month = {FEB}, pages = {27-37}, type = {Article}, abstract = {

Protein-protein interactions (PPIs) play a vital role in the biological processes involved in the cell functions and disease pathways. The experimental methods known to predict PPIs require tremendous efforts and the results are often hindered by the presence of a large number of false positives. Herein, we demonstrate the use of a new Genetic Programming (GP) based Symbolic Regression (SR) approach for predicting PPIs related to a disease. In this case study, a dataset consisting of 135 PPI complexes related to cancer was used to construct a generic PPI predicting model with good PPI prediction accuracy and generalization ability. A high correlation coefficient (CC) magnitude of 0.893, and low root mean square error (RMSE), and mean absolute percentage error (MAPE) values of 478.221 and 0.239, respectively, were achieved for both the training and test set outputs. To validate the discriminatory nature of the model, it was applied on a dataset of diabetes complexes where it yielded significantly low CC values. Thus, the GP model developed here serves a dual purpose: (a) a predictor of the binding energy of cancer related PPI complexes, and (b) a classifier for discriminating PPI complexes related to cancer from those of other diseases.

}, keywords = {Binding energy, cancer, Disease, genetic programming, machine learning, protein-protein interactions, symbolic regression}, issn = {1545-5963}, doi = {10.1109/TCBB.2016.2621042}, author = {Vyas, Renu and Bapat, Sanket and Goel, Purva and Karthikeyan, Muthukumarasamy and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @article {45377, title = { Balancing antimicrobial performance with hemocompatibility in amphiphilic homopolymers}, journal = {Journal of Polymer Science Part A- Polymer Chemistry}, volume = {56}, year = {2018}, month = {NOV}, pages = {2391-2396}, type = {Article}, abstract = {This work establishes amphiphilic polymethacrylates as new antimicrobial candidates that can be synthesized through a combination of controlled free radical polymerization and sequential postpolymerization modification protocols. When conjugated with a polyethylene glycol segment, the block copolymers exhibit a balanced performance between high antibacterial activity and high hemocompatibility.}, issn = { 0887-624X}, doi = { 10.1002/pola.29213}, author = {Zhu, Zhiyuan and Jeong, Gookyeong and Kim, Seung-Jin and Gadwal, Ikhlas and Choe, Youngson and Bang, Joona and Oh, Min-Kyu and Khan, Anzar and Rao, Jingyi} } @article {44370, title = {Bimetallic Au-Ag/Al2O3 as efficient catalysts for the hydrocarbon selective reduction of NOx from lean burn engine exhaust}, journal = {Catalysis Today}, volume = {306}, year = {2018}, month = {MAY}, pages = {23-31}, type = {Article}, abstract = {Catalytic properties of Au-Ag/Al2O3 catalysts, prepared by successive impregnation, have been investigated for the hydrocarbon selective catalytic reduction (HC-SCR) of NOx. The performances of pre-reduced and aged catalysts were evaluated on synthetic reaction mixtures with gas compositions representative of the exhaust of Diesel powered engines. An optimal 2 wt.\% Ag loading was chosen and the order of introduction during sequential impregnation of Ag or Au on respectively pre-impregnated Au/Al2O3 and Ag/Al2O3 substrates was investigated revealing drastic changes on the catalytic properties after aging. XPS analysis shows a significant silver enrichment irrespective of the preparation route and aging conditions whereas ex situ UV-vis DRS analysis reveals significant electronic disturbances which reflect different interactions between Au and Ag in fresh and aged Au-Ag/Al2O3 and Ag-Au/Al2O3 catalysts. As a consequence, significant rate enhancements in NOx conversion were observed with the superior performance of Au-Ag/Al2O3 but a lower resistance to deactivation at high temperature explained by different behaviour towards redispersion/agglomeration processes highlighted from TEM observations. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cattod.2016.12.002}, author = {More, P. M. and Dongare, M. K. and Umbarkar, S. B. and Granger, P. and Dujardin, C.} } @article {45445, title = {Biomass-mediated synthesis of Cu-doped TiO2 nanoparticles for improved-performance lithium-ion batteries}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {OCT}, pages = {13676-13684}, type = {Article}, abstract = {

Pure TiO2 and Cu-doped TiO2 nanoparticles are synthesized by the biomediated green approach using the Bengal gram bean extract. The extract containing biomolecules acts as capping agent, which helps to control the size of nanoparticles and inhibit the agglomeration of particles. Copper is doped in TiO2 to enhance the electronic conductivity of TiO2 and its electrochemical performance. The Cu-doped TiO2 nanoparticle-based anode shows high specific capacitance, good cycling stability, and rate capability performance for its envisaged application in lithium-ion battery. Among pure TiO2, 3\% Cu-doped TiO2, and 7\% Cu-doped TiO2 anode, the latter shows the highest capacity of 250 mAh g(-1) (97.6\% capacity retention) after 100 cycles and more than 99\% of coulombic efficiency at 0.5 A g(-1) current density. The improved electrochemical performance in the 7\% Cu-doped TiO2 is attributed to the synergetic effect between copper and titania. The results reveal that Cu-doped TiO2 nanoparticles might be contributing to the enhanced electronic conductivity, providing an efficient pathway for fast electron transfer.

}, doi = {10.1021/acsomega.8b01903}, author = {Kashale, Anil A. and Dwivedi, Pravin K. and Sathe, Bhaskar R. and Shelke, Manjusha V. and Chang, Jia-Yaw and Ghule, Anil V.} } @article {45557, title = {BIOPYDB: a dynamic human cell specific biochemical pathway database with advanced computational analyses platform}, journal = {Journal of integrative bioinformatics}, volume = {15}, year = {2018}, month = {MAR }, type = {Article}, abstract = {BIOPYDB: BIOchemical PathwaY DataBase is developed as a manually curated, readily updatable, dynamic resource of human cell specific pathway information along with integrated computational platform to perform various pathway analyses. Presently, it comprises of 46 pathways, 3189 molecules, 5742 reactions and 6897 different types of diseases linked with pathway proteins, which are referred by 520 literatures and 17 other pathway databases. With its repertoire of biochemical pathway data, and computational tools for performing Topological, Logical and Dynamic analyses, BIOPYDB offers both the experimental and computational biologists to acquire a comprehensive understanding of signaling cascades in the cells. Automated pathway image reconstruction, cross referencing of pathway molecules and interactions with other databases and literature sources, complex search operations to extract information from other similar resources, integrated platform for pathway data sharing and computation, etc. are the novel and useful features included in this database to make it more acceptable and attractive to the users of pathway research communities. The RESTful API service is also made available to the advanced users and developers for accessing this database more conveniently through their own computer programmes.}, issn = {1613-4516}, doi = {10.1515/jib-2017-0072}, author = {Chowdhury, S. and Sinha, N. and Ganguli, P. and Bhowmick, R. and Singh, V. and Nandi, S. and Sarkar, R. R.} } @article {44646, title = {Calixarene intercalated NiCo layered double hydroxide for enhanced oxygen evolution catalysis}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {6}, year = {2018}, month = {AUG}, pages = {9649-9660}, abstract = {

Water splitting provides a promising, sustainable way to resolve problems arising due to depleting fossil fuels. The success needs development of low-cost and high-performance electrode materials. The oxygen evolution reaction (OER) is a crucial reaction in water splitting. The combined Ni and Co oxide developed nanostructures having a small overpotential and fast kinetics of OER. They have drawn considerable attention, because of their theoretically high efficiency, high abundance, low cost, and environmental benignity in comparison with precious metal oxides, such as RuO2 and IrO2. However, the desired efficiency needs the developments of enhanced specific active area and conductivity. In the present communication, we address these issues. Specifically, exfoliation of layer double hydroxide (LDH) is applied to enhance the active surface area. The study reveals that intercalation by calixarene in NiCo LDH affords a multifunctional interlayer to deliver a large active surface area and fast electron transport toward the carbon nano-onion (CNO) support. It favorably lowers the overpotentials in OER (290 mV) and attains Tafel slope of 31 mV/decade. Enhanced conductivity is achieved using CNO as a support for the calixarene intercalated NiCo LDH. These developments offer a synergistic effect in achieving superior electrocatalytic activity for OER. This work gives insight into designing binder-free electrodes in alkaline media with good stability for advanced OER activity.

}, keywords = {Calixarene, electrocatalyst, Exfoliation, NiCo LDH, Oxygen Evolution Reaction}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.7b04788}, author = {Waghmode, Babasaheb J. and Gaikwad, Aarti P. and Rode, V, Chandrashekhar and Sathaye, Shivaram D. and Patil, Kashinath R. and Malkhede, Dipalee D.} } @article {44374, title = {Catalytic enantioselective 1,3-alkyl shift in alkyl aryl ethers: efficient synthesis of optically active 3,3 {\textquoteright}-diaryloxindoles}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {MAY}, pages = {5735-5739}, abstract = {Reported is the first organocatalytic asymmetric 1,3-alkyl shift in alkyl aryl ethers for the synthesis of chiral 3,3{\textquoteright}-diaryloxindoles using a chiral Bronsted acid catalyst. Preliminary results showed that each enantiomer of the 3,3{\textquoteright}-diaryloxindole, and a racemic mixture, showed different antiproliferative activities against HeLa cell lines by using an MTT assay.}, doi = {10.1002/anie.201801650}, author = {Gade, Amol B. and Bagle, Pradip N. and Shinde, Popat S. and Bhardwaj, Vipin and Banerjee, Subhrashis and Chande, Ajit and Patil, Nitin T.} } @article {44430, title = {Chemo-biological evaluation of antidiabetic activity of M entha arvensis L. and it{\textquoteright}s role in inhibition of advanced glycation end products}, journal = {Journal of Ayurveda and integrative medicine}, year = {2018}, month = {FEB}, abstract = {

Background: There has been enormous curiosity in the development of alternative plant based medicines to control diabetes, oxidative stress and related disorders. One of the therapeutic approaches is to reduce postprandial release of glucose in the blood. Two key enzymes that are involved in reducing postprandial glucose are α-amylase and α-glucosidase. Mentha arvensis L. has been traditionally used by several tribes as a medicinal plant to treat various disorders. Objective: The present study was undertaken to test M. arvenisis L. for inhibition of postprandial hyperglycemia. Material and method: We performed various in vitro and in vivo tests to evaluate efficacy of M. arvenisis L. for antidiabetic activity (postprandial hyperglycemia). Results: Methanolic extract of M. arvensis L. leaves showed DPPH free radical scavenging activity (more than 78\% μg/μl) and high antiglycation potential (more than 90\% inhibition of AGE formation). Methanolic extract also showed remarkable inhibitory effects on α-amylase (more than 50\% μg/μl) and α-glucosidase (68\% μg/μl) and significant inhibition of postprandial hyperglycemia in starch induced diabetic Wistar rats. Conclusion: The non-insulin dependent antidiabetic or inhibition of postprandial hyperglycemic activity of methanolic extract of M. arvensis L. leaves was shown by using in vitro and in vivo approaches in the present study.

}, doi = {10.1016/j.jaim.2017.07.003}, author = {Agawane, Sachin B. and Gupta, Vidya S. and Kulkarni, Mahesh J. and Bhattacharya, Asish K. and Koratkar, Santosh} } @article {44651, title = {Cloning and characterization of trehalase: a conserved glycosidase from oriental midge, Chironomus ramosus}, journal = {3 Biotech}, volume = {8}, year = {2018}, month = {AUG}, pages = {352}, abstract = {

Insect trehalase is a multiferous enzyme, crucial for normal physiological functions as well as under stress conditions. In this report, we present a fundamental study of the trehalase gene segment (1587 bp) from Chironomus ramosus (CrTre) encoding for 529 amino acids, using appropriate bioinformatics tools. C. ramosus, a tropical midge is an emerging animal model to investigate the consequences of environmental stresses. We observed that CrTre belongs to GH family 37 in the CAZy database and possess 57-92\% identity to dipteran trehalases. In silico characterization provided information regarding the structural, functional and evolutionary aspects of midge trehalase. In the phylogenetic tree, CrTre clustered with the soluble dipteran trehalases. Moreover, domain functional characterization of the deduced protein sequence by InterProScan (IPR001661), ProSite (PS00927 and PS00928) and Pfam (PF01204) indicated presence of highly conserved signature motifs which are important for the identification of trehalase superfamily. Furthermore, the instability index of CrTre was predicted to be \< 40 suggesting its in vivo stability while, the high aliphatic index indicated towards its thermal stability (index value 71-81). The modelled 3D tertiary structure of CrTre depicts a (alpha/alpha)(6) barrel toroidal core. The catalytic domain of the enzyme comprised Glu424 and Asp226 as the putative active site residues. Interestingly, the conserved motifs were observed to be formed by the flexible loopy regions in the tertiary structure. This study revealed essential sequence features of the midge trehalase and offers better insights into the structural aspects of this enzyme which can be correlated with its function.

}, keywords = {Conserved motifs, Homology modelling, Midges, Secondary structure, trehalose}, issn = {2190-572X}, doi = {10.1007/s13205-018-1376-y}, author = {Shukla, Ekta and Thorat, Leena and Bendre, Ameya D. and Jadhav, Santosh and Pal, Jayanta K. and Nath, Bimalendu B. and Gaikwad, Sushama M.} } @article {44347, title = {Close loop separation process for the recovery of Co, Cu, Mn, Fe and Li from spent lithium-ion batteries}, journal = {Separation and Purification Technology}, volume = {200}, year = {2018}, month = {JUL}, pages = {327-334}, type = {Article}, abstract = {Lithium-ion batteries (LIBs) are essential energy source used in advanced electronic gadgets for getting constant and continuous power supply. Huge amount of spent LIBs are generated after their end use. LIBs contain metals, organics and plastics which require proper treatment before disposal. Keeping in view of stringent environmental regulations, limited natural resources and energy crisis, adopting recycling will not only protect the environment and pacify the gap between demand and supply but also conserve the natural resources. Present paper reports a complete process for the recycling of LIBs to recover metals and materials as value added products fulfilling zero waste concept. Initially, the spent LIBs were crushed and beneficiated by wet scrubbing process to separate cathodic material, plastic and metallic fractions. The cathodic material contained 20\% Co and 2.4\% Li along with other impurities (Mn, Fe, Cu). The cathodic material obtained from different LIBs were homogenized and put to leaching studies to optimize various process parameters viz. effect of leachant concentration, temperature, time, etc. About 97\% Co and 99.99\% Li were leached using 2 M H2SO4 and 10\% H2O2 at room temperature, in 2 h maintaining pulp density 75 g/L. Kinetics for leaching of Co fitted well with Chemical reaction control dense constant size cylindrical particles model, i.e. 1 - (1 - X)(1/2) = Kct. The leach liquor obtained was further processed to recover Mn and Fe using (NH4)(2)S2O8 as a precipitant whereas 99.99\% Cu was extracted using LIX 84 IC at eq. pH 2, O/A ratio 1/1 and mixing time 5 min. Further, from the leach liquor depleted with Mn, Fe and Cu, similar to 98\% Co was extracted using 20\% Cyanex 272 at pH 4.8 in 10 min maintaining phase ratio (O/A) 1/1 in two stages, leaving Li in the raffinate. From the pure Co solution, value added products as metal and salt were produced using electrowinning/evaporation/precipitation techniques. The TCLP test of leached residue shows the presence of metals within permissible limit and the effluent generated was treated in an effluent treatment plant (ETP) with standard procedure and recycled to the system. The developed clean process is economical as well as environment friendly and has potential to be translated in industry after scale-up studies.}, doi = {10.1016/j.seppur.2018.02.022}, author = {Dutta, Deblina and Kumari, Archana and Panda, Rekha and Jha, Soni and Gupta, Divika and Goel, Sudha and Jha, Manis Kumar} } @article {44432, title = {Co-gasification of high ash coal{\textendash}biomass blends in a fluidized bed gasifier: experimental study and computational intelligence-based modeling}, journal = {Waste and Biomass Valorization}, volume = {11}, year = {2018}, month = {JUN}, pages = {1-19}, type = {Article}, abstract = {Co-gasification (COG) is a clean-coal technology that uses a binary blend of coal and biomass for generating the product gas; it is environment-friendly since it emits lesser quantities of pollutants compared to the coal gasification process. Although coals found in many countries contain high percentages of ash, co-gasification studies involving such coals, and the process modeling thereof, are rare. Accordingly, this study presents results of the co-gasification experiments conducted in a fluidized-bed gasifier (FBG) pilot plant using as a feed the blends of high ash Indian coals with three biomasses, namely, rice husk, press mud, and sawdust. Since the underlying physicochemical phenomena are complex and nonlinear, modeling of the COG process has been performed using three computational intelligence (CI)-based methods namely, genetic programming, artificial neural networks, and support vector regression. Each of these formalisms was employed separately to develop models predicting four COG performance variables, namely, total gas yield, carbon conversion efficiency, heating value of product gas, and cold gas efficiency. All the CI-based models exhibit an excellent prediction accuracy and generalization performance. The co-gasification experiments and their modeling presented here for a pilot-plant FBG can be gainfully utilized in the efficient design and operation of the corresponding commercial scale co-gasifiers utilizing high ash coals.}, keywords = {Artificial neural networks, Co-gasification, Computational intelligence, Fluidized bed gasifier, genetic programming, support vector regression}, issn = {1877-2641}, doi = {10.1007/s12649-018-0378-7}, author = {Tiwary, Shishir and Ghugare, Suhas B. and Chavan, Prakash D. and Saha, Sujan and Datta, Sudipta and Sahu, Gajanan and Tambe, Sanjeev S.} } @article {44222, title = {Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C-3 symmetric molecule}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JAN}, pages = {212-215}, type = {Article}, abstract = {

We report a novel set of easily tailorable C-3 symmetric molecules with a pi-extended core and adorned with different thioalkyl groups, exhibiting solvatofluorochromic and amphoteric redox behaviour. The nearly planar core exhibits intermolecular face-to-face pi-stacking, S...S and intramolecular S...O interactions. Current-sensing atomic force microscopy studies revealed a high conductivity of similar to 0.15 mS cm(-1) in the undoped J-aggregate nanofibres of the thiopropyl appended gelator.

}, issn = {1359-7345}, doi = {10.1039/c7cc08741a}, author = {Shivakumar, K.I. and Goudappagouda. and Gonnade, Rajesh G. and Babu, Sukumaran Santhosh and Sanjayan, Gangadhar J.} } @article {44438, title = {Conformational studies of Ant-Pro motif-incorporated cyclic peptides: gramicidin S and avellanin}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN}, pages = {1197-1201}, abstract = {This paper reports conformational changes observed in cyclic bioactive peptides such as gramicidin S and avellanin upon incorporation of a pseudo-beta (C9) Ant-(D)Pro turn motif in their structural frameworks. Solution-state studies suggested that a synthetic gramicidin S analog exhibits a beta-sheet conformation with C9 and C17 intramolecular hydrogen bonding patterns, while its truncated analog disturbs the beta-sheet conformation. Structural details were obtained using a combination of CD studies, X-ray crystal structure studies and nOe-based MD simulation studies.}, doi = {10.1039/c7nj03701e}, author = {Kotmale, Amol S. and Sangtani, Ekta and Gonnade, Rajesh G. and Sarkar, Dhiman and Burade, Sachin and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article {45541, title = {Convenient synthesis of the enantiomerically pure (S)-2,4-dihydroxybutyl-4-hydroxybenzoate using hydrolytic kinetic resolution}, journal = {Synthetic Communications}, volume = {48}, year = {2018}, month = {JUL}, pages = { 2093-2098}, type = {Article }, abstract = {(S)-2,4-Dihydroxybutyl-4-hydroxybenzoate was prepared in an extremely simple and practical way with high enantiomeric excess (99\% ee) using Jacobsen{\textquoteright}s Hydrolytic Kinetic Resolution technique as a key step and source of chirality. }, doi = {10.1080/00397911.2018.1484486}, author = {More, N. A. and Jadhao, N. L. and Garud, D. R. and Gajbhiye, J. M.} } @book {45562, title = {CRC handbook of terpenoids: triterpenoids: Volume ii: pentacyclic and hexacyclic triterpenoids}, volume = {2}, year = {2018}, pages = {1-624}, publisher = {CRC Press}, organization = {CRC Press}, abstract = {

A compilation of all the known information on terpenoids specifically triterpenoids, is presented in these volumes. The most important available information on a particular compound is discussed, such as its isolation/occurence, available spectral data, and leading references on structural determination. Additionally, triterpenoids synthesis, biosynthesis, proven pharmacological properties, and any known applications are explained. A comprehensive general introduction has been included which surveys the development of triterpenoid chemistry from the beginning to the present. Extremely helpful is the selected list of references to books and reviews dealing with various aspects of triterpenoid chemistry

}, doi = {10.1201/9781351072762}, author = {Dev, S. and Gupta, A.S.} } @article {45470, title = {CuOx-TiO2 composites: electronically integrated nanocomposites for solar hydrogen generation}, journal = {ChemistrySelect }, volume = {3}, year = {2018}, month = {NOV}, pages = {12022-12030}, type = {Article }, abstract = {

CuOx-TiO2 (CT) composites were prepared by different methods (impregnation, microwave and photodeposition methods) and evaluated for solar water splitting (SWS) with aqueous methanol. CT composites prepared by three different methods were characterized by relevant methods to understand the correlation between synthesis method and activity, and the mechanism of water splitting. A comparison of photocatalytic activity of CT composite materials indicates that the photocatalyst prepared by photodeposition method shows significantly improved activity for hydrogen production from aqueous methanol as well as with water (overall water splitting) under one sun conditions. Cu is present in Cu/Cu+1 form in photodeposition method prepared CT, which is more effective and helpful for solar light absorption as well as charge carrier separation due to the formation of bulk p-n (Cu2O-TiO2) heterojunctions. However, CuO formation seems to decrease the activity with other preparation methods.

}, issn = { 2365-6549}, doi = { 10.1002/slct.201802047}, author = {Bharad, Pradnya A. and Nikam, Arun, V. and Thomas, Femi and Gopinath, Chinnakonda S.} } @article {45465, title = { Cyclometallation of a germylene ligand by concerted metalation-deprotonation of a methyl group }, journal = {Dalton Transactions }, volume = {47}, year = {2018}, month = { NOV}, pages = { 15835-15844}, type = {Article }, abstract = {The reaction of [CH{(CMe)(2,6-iPr(2)C(6)H(3)N)}(2)]GeCl with LiN(SiMe3)(2) was previously reported, which led to the formation of a hetero-fulvene type germylene, [CH{(CMe)(C?CH2)(2,6-iPr(2)C(6)H(3)N)}(2)]Ge through the deprotonation of the C-H bond from the methyl substituents. In this paper, we attempted the analogous reaction with (Dipp)NCMeCHCOMeGeCl using LiN(SiMe3)(2) which gave rise to a metathesis product, (Dipp)NCMeCHCOMeGeN(SiMe3)(2) (2). However, the reactions of 2 with [M2Cl2(-Cl)(2)((5)-Cp*)(2)] (M = Rh and Ir) resulted in cyclometallated Rh and Ir complexes through the activation of the C-H bond from the germylene ligand. The complexes were characterized by single crystal X-ray analysis, which authenticated the presence of Ge-Rh and Ge-Ir bonds. DFT studies have been performed to understand the mechanism.}, issn = {1477-9226}, doi = { 10.1039/c8dt03166e}, author = {Bakthavachalam, K. and Dutta, Sayan and Arivazhagan, C. and Raghavendra, Beesam and Haridas, Anagha and Sen, Sakya S. and Koley, Debasis and Ghosh, Sundargopal} } @article {44446, title = {Deep learning based data driven soft sensor for bioprocesses}, journal = {Biochemical Engineering Journal}, volume = {136}, year = {2018}, month = {AUG}, pages = {28-39}, type = {Article}, abstract = {

Developing accurate and robust sensors for nonlinear and highly varying systems is a challenge. Deep learning, an advanced technique to learn deep architectures, has become a popular training strategy while dealing with complex problems. In this paper, deep learning has been introduced to develop data driven soft sensors for estimating crucial parameters in two fermentation processes, namely, Streptokinase and Penicillin. Additionally, the performance of the developed soft sensor is compared to an SVR based soft sensor. The results clearly indicate that deep learning is an attractive alternative to traditional techniques for soft sensor modelling as it represents nonlinear systems better, makes full advantage of process data by also incorporating unlabelled data and handles large datasets efficiently. Deep learning proves to be a promising technique for soft sensor modelling in highly data driven complex bioprocesses.

}, doi = {10.1016/j.bej.2018.04.015}, author = {Gopakumar, Vineet and Tiwari, Sarthak and Rahman, Imran} } @article {44211, title = {Deposition of Au nanoparticles inside porous CeO2 nanocubes using Langmuir-Blodgett technique}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN }, pages = {1379-1386}, type = {Article}, abstract = {

Porous 3D CeO2 nanocubes were synthesized using hot injection technique. These nanocubes were able to form a stable monolayer over water and HAuCl4 subphase in Langmuir-Blodgett (LB) trough due to the presence of surface capped oleic acid and oleylamine. CeO2-Au nanocomposites were synthesized exploiting the ability of oleylamine to reduce AuCl4 ions to Au-0, via LB method. CeO2 nanocubes gave rise to excellent long-range assembly at air/water interface and gold nanoparticles were formed inside these porous nanocubes without disturbing this arrangement. The formation of a stable monolayer was evidenced from the surface pressure-area (P-A) isotherm. The development of Au nanoparticles was confirmed with great effort from a comprehensive study using UV-Vis spectroscopy, XRD, XPS, FTIR, TEM, STEM, EDX, tomography and chemical mapping.

}, issn = {1144-0546}, doi = {10.1039/c7nj03948d}, author = {Das, Subhasis and Bhattacharjee, Gourab and Satpati, Biswarup and Kumar, Mukesh and Deka, Sasanka and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {45359, title = {Design, synthesis and biological screening of novel 1,3,4-oxadiazoles as antitubercular agents}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = { DEC}, pages = { 13304-13310}, type = {Article}, abstract = {A series of novel 2,5-disubstitued 1,3,4-oxadiazole derivatives bearing 2,2-dimethyl-2,3-dihydrobenzofuran scaffold has been synthesized and screened for antitubercular activity. All the synthesized compounds were characterized by IR, H-1 NMR, C-13-NMR and Mass spectral study. The in vitro antitubercular activity of the synthesized compounds was evaluated against Mycobacterium tuberculosis H37Ra(ATCC 25177) strain. Among the synthesized compounds, four compound displayed good antitubercular activity IC50 values in low micro-gram range (<10 mu g/mL). The antitubercular data suggested that growth inhibition MTB can be imparted by the introduction of a 4- trifluoromethyl phenyl acetylene substituent. Specificity of these compounds was checked by screening them for their anti-bacterial activity against four bacterial strains (Gram-negative strains: E. coli, S. aureus; Gram-positive strains: P. aeruginosa and B. subtilis). None of the compound displayed antibacterial activity against any of the seleted strain. Molecular docking studies were carried out on InhA (FabI/ENR) which shows that the synthesized compounds bind at the catalytic site in a most favourable manner suggesting their potential as anti-mycobacterial agents. The research presented here was found to be adventitious for the development of new therapeutic agents against Mycobacterium infection.}, issn = { 2365-6549}, doi = {10.1002/slct.201802227}, author = {Tambe, Macchindra S. and Choudhari, Amit and Sarkar, Dhiman and Sangshetti, Jaiprakash and Patil, Rajesh and Gholap, Somnath S.} } @article {44195, title = {Design, synthesis, and pharmacological evaluation of fluorinated azoles as anti-tubercular agents}, journal = {Archiv Der Pharmazie}, volume = {351}, year = {2018}, month = {FEB}, pages = {e1700294}, type = {Article}, abstract = {

Design, synthesis, and biological screening of 2,2-dimethyl-2,3-dihydrobenzofuran tethered 1,3,4-oxadiazole derivatives as anti-tubercular agents were described. The synthesis of the target compounds was conducted by a series of reaction schemes. All the synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR, and mass spectrometry. The therapeutic potential of the synthesized compounds was confirmed by molecular docking studies. Among the synthesized compounds, 12a, 12c, 12d, 12e, 12g, and 12j were found to be more active against non-replicating than against replicating cultures of Mycobacterium tuberculosis H37Ra ex vivo and in vitro. These compounds exhibit minimum inhibitory concentration (MIC) values in the range of 2.31-23.91g/mL. The cytotoxicity study was conducted against the cell lines THP-1, A549 and PANC-1, and the compounds were observed to be non-toxic to host cells. Molecular docking was conducted with InhA (FabI/ENR) and suggested the antimycobacterial potential of the synthesized compounds. The investigation presented here was found to be adventitious for the development of new therapeutic agents against Mycobacterium infection.

}, keywords = {1, 2, 2-dimethyl-2, 3, 3-dihydrobenzofuran, 4-Oxadiazole, anti-tubercular agents, Cytotoxicity, Molecular docking}, issn = {0365-6233}, doi = {10.1002/ardp.201700294}, author = {Gholap, Somnath and Tambe, Macchindra and Nawale, Laxman and Sarkar, Dhiman and Sangshetti, Jaiprakash and Damale, Manoj} } @article {45390, title = {Design, synthesis, docking studies and biological screening of 2-thiazolyl substituted-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazines as potent HIV-1 reverse transcriptase inhibitors}, journal = {European Journal of Medicinal Chemistry}, volume = {157}, year = {2018}, month = {SEP}, pages = {310-319}, type = {Article}, abstract = {1,3-oxazine nucleus and thiazolyl group features prominently in many biologically important natural products as well as bioactive molecules. A series of novel 2-thiazolyl substituted-2,3-dihydro-1H-naphtho [1,2-e][1,3]oxazine derivatives were designed and synthesized based on their structure-activity relationships (SARs) from 2-naphthol, substituted thiazolyl amines and formalin through ring closure by one-pot three component reaction. These derivatives were first evaluated for their inhibitory effect on HIV-1 Reverse Transcriptase (RT) enzyme activity. Out of 14 compounds, 4 showed potent inhibition of HIV-1 RT activity at significantly low concentration. Docking studies of these molecules revealed their high affinity binding to several amino acids of HIV-1 RT which are less sensitive to point mutations. Furthermore, anti-HIV activity of these molecules was analysed in a CD4(+) T cell-line, which indicates that Therapeutic Index (TI) of some of these compounds is better than Zidovudine and Efavirenz, known HIV-1 RT inhibitors. Taken together, our studies report for the first time some novel naphthoxazine derivatives with significant TI, which is through inhibition of HIV-1 RT activity. (C) 2018 Elsevier Masson SAS. All rights reserved.}, doi = {10.1016/j.ejmech.2018.07.067}, author = {Gawali, Rakhi and Trivedi, Jay and Bhansali, Sujit and Bhosale, Raghunath and Sarkar, Dhiman and Mitra, Debashis} } @article {44244, title = {Detection of ciprofloxacin residues in cow milk: a novel and rapid optical beta-galactosidase-based screening assay}, journal = {Microchemical Journal}, volume = {136}, year = {2018}, month = {JAN}, pages = {128-132}, type = {Article}, abstract = {

Ciprofloxacin (a member of the fluoroquinolone class) is one of the most widely used antibacterial agents for the treatment of bacterial infections in livestock. The improper use of such antibacterial agents could lead to the presence of residues in animal origin foods (including milk) and consequently harmful effects for health of consumers, together with the spread of antibiotic-resistant bacterial strains. Therefore, in order to support good farming practices and to ensure food safety, antimicrobial (in particular fluoroquinolones) residues surveillance through improved monitoring techniques is crucial. However, commercial available kits for the detection of fluoroquinolones residues in food samples are time-consuming and still fail to detect MRL concentrations for fluoroquinolones (e.g. 0.1 mg/kg for the sum of enrofloxacin and ciprofloxacin residues). Here a novel and rapid assay for ciprofloxacin residual detection through optical microbiological screening in commercially pasteurized cow{\textquoteright}s milk samples is described. Escherichia coli ATCC 11303 cell proliferation was optically monitored by measuring endogenous (beta-gal activity that was determindd through colorimetric assay in the presence of a chromogenic beta-gal artificial substrate. Optical density of E. coli cell culture (linked to cell proliferation) was positively correlated with endogenous beta-gal activity. As the presence of ciprofloxacin residues inhibits the E. coli cell proliferation in tested samples, (3-gal levels decreased more in exposed samples than in control. The essential step of beta-gal induction (usually obtained by IPTG) was obtained by exploiting the lactose present in the milk. Our findings show a detection of ciprofloxacin residues at 1 MRL concentration after 1 h using ONPG as chromogenic 3 gal artificial substrate and lactose as (3-gal inducer. Compared to previously described methods, this assay proved to be a rapid, proficient and more eco-friendly (i.e. minimizing the use of additional reagents) system that could be potentially employed as screening method for detection ciprofloxacin residues in cow{\textquoteright}s milk. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Antibiotic resistance, Farm animals, Fluoroquinolones, HACCP, One health, Primary production, Risk assessment and management}, issn = {0026-265X}, doi = {10.1016/j.microc.2016.12.014}, author = {Kalunke, Raviraj M. and Grasso, Gerardo and D{\textquoteright}Ovidio, Renato and Dragone, Roberto and Frazzoli, Chiara} } @article {44237, title = {Development of enhanced hypericin yielding transgenic plants and somaclones: high throughput direct organogenesis from leaf and callus explants of Hypericum perforatum}, journal = {Industrial Crops and Products}, volume = {111}, year = {2018}, month = {JAN}, pages = {544-554}, type = {Article}, abstract = {

Hypericum perforatum is well known for its anti-depressent properties due to the presence of hypericins and hyperforins. The direct regeneration protocol from leaf explants and Agrobacterium tumefaciens mediated genetic transformation is a prerequisite for gene transfer studies in this valuable plant system as H. perforatum has shown its recalcitrance to these studies previously. The aim of generating transgenic shoots or somaclones in the present study is to select high hypericine yielding H. perforatum plants. High throughput direct bud organogenesis from leaf explants has been achieved for the first time in this plant system on media combination of MS + 5.0 mg/l BAP + 1.0 mg/l. This medium interestingly also worked as the indirect regeneration media for generation of somaclones from callus cultures. Thus far optimized single media can be used for direct and indirect regeneration in H. perforatum. The direct regeneration frequency of plantlets from leaf explants was found to be 80\% while 100\% was the regeneration frequency noted for indirect plantlet regeneration from callus cultures. The optimized direct regeneration protocol from leaf explants was utilized for A. tumefaciens (harbouring pCAMBIA 1301) mediated genetic transformation studies with the aim of establishing transgenic lines of H. perforatum. The resultant study successfully gave rise to kanamycin resistant GUS positive shoots with transformation efficiency of 3136 +/- 3.6. A total of four transgenic H. perforatum clones namely T2, T3, T5 and T8 with different growth parameters were established, where highest of fivefold increase in hypericin content was recorded by T5 (276.8 +/- 9.2 mu g/g dry wt.) in comparison to control non transformed plants (35.6 +/- 2.7 mu g/g dry wt.). Interestingly the presence of serotonin and melatonin was also detected in transgenic plants on TLC basis. The transgenic nature of the plants was confirmed by PCR with amplification of uidA gene. Apart from it, from indirect regeneration from callus, total of ten somaclones were generated. The ISSR profiling of somaclones scored a total of 156 bands, among which 118 were polymorphic in nature. The glasshouse established soma clones showed up to twofold increase in hypericin content on HPLC analysis.

}, keywords = {Direct regeneration, Hypericin, Hypericum perforation, Indirect regeneration, ISSR, Somaclones, Transgenic plants}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2017.11.032}, author = {Khan, Shamshad A. and Verma, Priyanka and Arbat, Akshata and Gaikwad, Sushma and Parasharami, Varsha A.} } @conference {44600, title = {Differential responses of CHO cells adapted to limitation of inorganic phosphate, glucose or glutamine}, booktitle = {255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water}, year = {2018}, month = {MAR }, publisher = {American-Chemical-Society, 1155 16TH ST, NW, Washington, DC 20036 USA}, organization = {American-Chemical-Society, 1155 16TH ST, NW, Washington, DC 20036 USA}, address = {New Orleans, LA}, author = {Maralingannavar, Vishwanathgouda and Parmar, Dharmeshkumar and Pant, Tejal and Gadgil, Chetan and Panchagnula, Venkateswarlu and Gadgil, Mugdha} } @article {45368, title = {Direct synthesis of diethyl carbonate from ethanol and carbon dioxide over ceria catalysts}, journal = {New Journal Of Chemistry}, volume = {42}, year = {2018}, month = {NOV}, pages = {17546-17552}, type = {Article}, abstract = {

Direct synthesis of diethyl carbonate (DEC) by carboxylation of ethanol with CO2 was investigated over ceria catalysts. 2-Cyanopyridine (2-CP) was used for trapping water formed in the reaction and to shift the equilibrium towards the product side. An optimal dependence (volcanic plot) of the catalytic activity on the acidity/basicity molar ratio was observed. Neat ceria (procured from Daiichi Kigenso Kagaku Kogyo Co. Ltd, Japan) showed higher catalytic activity than metal incorporated ceria catalysts. CeO2 had the right kind of acidity/basicity ratio to activate ethanol and CO2 simultaneously, yielding DEC. The catalyst was reusable. The yield of DEC obtained in this study using the commercial catalyst was higher than that reported by others using ceria catalysts prepared by other methods. Under optimum conditions (ethanol:2-CP molar ratio = 2:1, catalyst = 2.17 wt\% with respect to ethanol, CO2 pressure = 40 bar, reaction temperature = 150 degrees C and reaction time = 3 h) in a batch reaction, a DEC yield as high as 45 mol\% (i.e., 38.7 mmol mmol(-1) of CeO2) was obtained.

}, issn = { 1144-0546}, doi = {10.1039/c8nj04090g}, author = {Giram, Ganesh G. and Bokade, Vijay V. and Darbha, Srinivas} } @article {45371, title = {Dissociative chemisorption of hydrogen molecules on defective graphene-supported aluminium clusters: a computational study}, journal = {Physical Chemistry Chemical Physics }, volume = {20}, year = {2018}, month = {NOV}, pages = {26506-26512}, type = {Article}, abstract = {

Using periodic density functional theory-based calculations, in the present study, we address the chemical bonding between aluminium clusters (Al-n, n = 4-8 and 13) and monovacant defective graphene. The adsorption strength of the above-mentioned aluminium clusters is fivefold (approximate to 3 to 5 eV) higher on defective graphene as compared to the earlier reported values on non-defective graphene and BN-doped graphene. The Bader charge analysis and different charge densities reveal that this adsorption is driven by significant charge transfer from the Al clusters to defective graphene. Thus, chemisorbed Al clusters demonstrate high activity towards dissociative adsorption of molecular hydrogen.

}, issn = { 1463-9076}, doi = {10.1039/c8cp05711g}, author = {Kumar, Deepak and Govindaraja, Thillai and Krishnamurty, Sailaja and Kaliaperumal, Selvaraj and Pal, Sourav} } @article {44459, title = {Effect of crystal packing on the thermosalient effect of the pincer-type diester naphthalene-2,3-diyl-bis(4-fluorobenzoate): a new class II thermosalient solid}, journal = {Chemistry-A European Journal}, volume = {24}, year = {2018}, month = {MAR}, pages = {4133-4139}, abstract = {The pincer-like double ester naphthalene-2,3-diyl-bis(4-fluorobenzoate) (2) is pentamorphic. Upon heating crystals of form I to below their melting point (441-443 K), they undergo a phase transition accompanied by a thermosalient effect, that is, rare and visually striking motility whereby the crystals jump or disintegrate. The phase transition and the thermosalient effect are reversible. Analysis of the crystal structure revealed that form I is a class II thermosalient solid. Crystals of form III also underwent a reversible phase transition in the temperature range of 160 to 170 K; however, they were not thermosalient. Comparison of the structures and the mechanical responses of the two polymorphs revealed that the thermosalient effect of form I was due to reversible closing and opening of the arms of the diester molecules in a tweezer-like action.}, doi = {10.1002/chem.201705586}, author = {Tamboli, Majid I. and Karothu, Durga Prasad and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Naumov, Pance} } @article {44464, title = {Electrochemically synthesized faceted CuInTe2 nanorods as an electron source for field emission applications}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {APR}, pages = {5284-5294}, abstract = {Herein, CuInTe2 (CIT) thin films with faceted nanorod-like morphology have been synthesized on a flexible molybdenum foil using a water-based low-cost electrodeposition technique. The co-deposition potential for CIT was optimized using cyclic voltammetry with respect to that of the Ag/AgCl reference electrode, and films were deposited from -0.6 V to -0.9 V at the working temperature of 75 degrees C. The as-prepared CIT films exhibited an amorphous nature, whereas the RTP-annealed films exhibited a highly crystalline chalcopyrite nature as a function of the growth potential. A red shift was observed in the Raman spectra of the as-deposited films that shifted towards the original position upon annealing. The Cu/In ratio obtained by the EDS analysis was found to decrease systematically upon increasing the growth potential. X-ray photoelectron spectroscopy (XPS) studies revealed the presence of Cu+, Cu2+ satellites, In3+, Te2-, and Te4+ states of Cu, In, and Te. The field emission study showed a maximum current density of 1.74 mA cm(-2), which was attainable at an applied electric field of 1.5 V mu m(-1). The turn-on field was found to be 0.92 V mu m(-1), comparable to that of the carbon nanofibres. The emitter exhibited stable electron emission over a period of 3 hours. The faceted CIT nanorods with columnar growth are a potential candidate for application as an electron source, and herein, the field emission of CIT nanorods is reported for the first time.}, doi = {10.1039/c7nj04773h}, author = {Lakhe, Manorama G. and Joshi, Padmshree and Choudhary, Ram J. and Ganesan, V. and Joag, Dilip S. and Chaure, Nandu B.} } @article {45358, title = {Employing arynes for the generation of aryl anion equivalents and subsequent reaction with aldehydes}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {SEP}, pages = {11333-11340}, type = {Article}, abstract = {

Arynes are highly reactive intermediates, which are utilized for the electrophilic arylation of various X-H bonds (X = O, N, S etc.). Herein, a new synthetic strategy is demonstrated, where arynes are converted into aryl anion equivalents by treatment with phosphines and a base. The addition of phosphines to arynes form the phosphonium salts, which in the presence of a carbonate base generates the aryl anion equivalent. Subsequent addition of the aryl anions with aldehydes afforded the secondary alcohols.

}, doi = {10.1021/acs.joc.8b01549}, author = {Gaykar, Rahul N. and Bhunia, Anup and Biju, Akkattu T.} } @article {44223, title = {Enhanced and synergistic downregulation of oncogenic miRNAs by self-assembled branched DNA}, journal = {Nanoscale}, volume = {10}, year = {2018}, month = {JAN}, pages = {195-202}, type = {Article}, abstract = {

miRNAs, a group of small non-coding RNA molecules, regulate the expression of many genes involved in various cellular processes. Acute evidence suggests that one miRNA can regulate many genes as its targets, while one gene can be targeted by many miRNAs that co-operatively regulate the gene. Thus, targeting a single miRNA is not sufficient enough to rescue the disease phenotype but it is also essential to target multiple miRNAs simultaneously. This inspired us to design a novel DNA nanostructure that can concurrently downregulate multiple oncomiRNAs. Here we designed a programmable antimiR branched DNA (antimiR-bDNA) nanostructure having antimiRNAs for selective binding to oncomiRNAs miRNA-27a, 96 and 182 which collectively downregulate FOXO1a expression. The antimiR-bDNAs show enhanced stability compared to naked antimiRNAs in serum and are able to knockdown these miRNAs with up to similar to 50\% greater repression as compared to antimiRNAs. This synergistic miRNA repression leads to the restoration of FOXO1a protein levels which in turn inhibit G1-S traversion in cancer cells. To the best of our knowledge, this is the first study harnessing the ability of bDNA structures to silence multiple miRNAs simultaneously.

}, issn = {2040-3364}, doi = {10.1039/c7nr06601e}, author = {Nahar, S. and Nayak, A. K. and Ghosh, A. and Subudhi, U. and Maiti, S.} } @article {45439, title = { Enhanced microwave absorption property of reduced graphene oxide (RGO)-strontium hexaferrite (SF)/poly (vinylidene) fluoride (PVDF)}, journal = {Dimond and Related Materials}, volume = {89}, year = {2018}, month = {OCT}, pages = {28-34}, type = {Article}, abstract = {Enormous growth in the use of electronic gadgets presents a challenge to develop efficient electromagnetic interference (EMI) shielding materials specifically using composites with properties such as light weight and high shielding due to absorption. In the present work we have synthesized a composite material with three components; Reduced Graphene Oxide (RGO) and Strontium Hexaferrite (SrFe12O19) (SF) bound together by polymer Poly (Vinylidene) Fluoride (PVDF). Composite RGO/SF (RGOSF) was prepared by facile one port chemical reduction method. Surface anchoring of similar to 500 nm of magnetic particles over the graphene sheet was confirmed by Field Emission Scanning Electron Microscopy (FESEM) and Transmission Electron Microscopy (TEM). Crystal structure of SF particles was analyzed before and after composite formation with RGO. Effective crystallite size was estimated from both XRD and Raman Spectroscopy which showed similar trend moving from SF to RGOSF to RGOSFPVDF. Polymer composite films of RGOSFPVDF were prepared by hot pressing. Both real and imaginary part of magnetic and dielectric parameters were studied. It was observed that enhancement of interfacial polarization and anisotropic heat loss in PVDF matrix was generated by RGOSF which ultimately created more scattering center and helped in absorption of electromagnetic radiation. Critical film thickness of 3 mm was capable to shield up to 33 dB EM energy of which > 99.9\% was due to absorption.}, issn = { 0925-9635}, doi = {10.1016/j.diamond.2018.07.024}, author = {Acharya, Sanghamitra and Gopinath, Chinnakonda S. and Alegaonkar, Prashant and Datar, Suwarna} } @article {45419, title = { Enhanced selectivity of 3-D ordered macroporous Pt/Al2O3 catalysts in nitrites removal from water}, journal = {Applied Catalysis A-General}, volume = {564}, year = {2018}, month = {AUG}, pages = {26-32}, type = {Article}, abstract = {Tailored macroporous mesoporous alumina supports have been successfully prepared using a single hard templating approach. Pt nanoparticles, showing similar physico-chemical properties, were homogeneously dispersed throughout the different alumina frameworks as catalytic active phase for drinking water treatment. We demonstrated that careful modification of pore properties of the catalyst (size and connectivity) by pseudomorphic transformation can strongly modulate the reaction rate and selectivity through the limited access to Pt active sites within the alumina porous particles. Specifically, 3-D Ordered Macroporous Pt-Al2O3 catalysts with a high degree of interconnectivity yield to superior catalytic properties (enhanced activity and selectivity) over pure mesoporous counterparts in the hydrogenation of nitrites in water. We found that large pores (240 nm) interconnected with windows (110 nm) alleviate mass transfer limitations and clearly improve NZ selectivity. The findings of this study further suggest the possibility of engineering the pore architecture of the support to fine tune the selectivity for a particular reaction rather than investigating more on tuning the properties of the costly active metallic phase.}, doi = {10.1016/j.apcata.2018.07.014}, author = {Sekhar, A. C. Sunil and Zaki, A. and Troncea, S. and Casale, S. and Vinod, C. P. and Dacquin, J. P. and Granger, P.} } @article {45448, title = {Entacapone: improving aqueous solubility, diffusion permeability, and cocrystal stability with theophylline}, journal = {Crystal Growth \& Design}, volume = {18}, year = {2018}, month = {OCT}, pages = {6061-6069}, type = {Article}, abstract = {Cocrystallization is a well-established technique to improve the solubility, bioavailability, and stability of active pharmaceutical ingredients (APIs) but permeability and diffusion rate control via cocrystals is relatively less well studied, and the exact role of coformers in influencing the diffusion rate of drug cocrystals is still not fully understood. The aqueous solubility and permeability diffusion of Entacapone, ETP, a Biopharmaceutical Classification System (BCS) Class IV drug of low solubility and low permeability, with Generally Regarded as Safe (GRAS) coformers has been studied. Fixed stoichiometry cocrystals of ETP with acetamide (ACT, 1:1), nicotinamide (NAM, 1:1), isonicotinamide (INAM, 1:1), pyrazinamide (PYZ, 1:1), and isoniazid (INZ), 1:1) were prepared by solvent-assisted grinding. Theophylline (THP) resulted in a cocrystal hydrate (ETP-THP-FIYD 1:1:1). The cocrystals were structurally characterized by single crystal and powder X-ray diffraction, DSC and TGA thermal measurements, and IR and NMR spectroscopy. Solubility and dissolution rate showed that there is a correlation between cocrystal stability and solubility governed by the heteromeric N-H center dot center dot center dot O, O-H center dot center dot center dot N, and O-H center dot center dot center dot O hydrogen bonds and conformational changes of ETP in cocrystal structures. ETP-THP-HYD and ETP-PYZ exhibit faster dissolution rate and high solubility and they are stable in phosphate buffer medium compared to the other cocrystals which dissociate partially during solubility experiments. Diffusion rates in a Franz cell showed that the stable and high solubility ETP-THP-HYD cocrystal has good permeability. Given that stability, solubility, and permeability are in general inversely correlated, the entacapone-theophylline hydrate cocrystal is a unique example of the thermodynamically stable cocrystal exhibiting high solubility and high permeability.}, issn = {1528-7483}, doi = {10.1021/acs.cgd.8b00921}, author = {Bommaka, Manish Kumar and Mannava, M. K. Chaitanya and Suresh, Kuthuru and Gunnam, Anilkumar and Nangia, Ashwini} } @article {44469, title = {Enzymatic formation of a skipped methyl-substituted octaprenyl side chain of longestin (KS-505a): involvement of homo-IPP as a common extender unit}, journal = {Angewandte Chemie}, volume = {57}, year = {2018}, month = {MAY}, pages = {6629-6632}, type = {Article}, abstract = {

Longestin (KS-505a), a specific inhibitor of phosphodiesterase, is a meroterpenoid that consists of a unique octacyclic terpene skeleton with branched methyl groups at unusual positions (C1 and C12). The biochemical analysis of Lon23, a methyltransferase involved in the biosynthesis of longestin, demonstrated that methylation of IPP afforded 3Z-3-methyl IPP. This compound as well as IPP was selectively accepted as extender units by Lon22, a geranylgeranyl diphosphate (GGPP) synthase homolog, to yield dimethylated GGPP (dmGGPP). Absolute configuration of dmGGPP was determined to be (4R, 12R) by degradation and chiral GC analysis. These findings led us to propose key steps of the biosynthetic pathway of the unusual homoterpenoid longestin.

}, doi = {10.1002/ange.201802116}, author = {Taro Ozaki and Shinde, Sandip S. and Gao, Lei and Okuizumi, Ryo and Liu, Chengwei and Ogasawara, Yasushi and Lei, Xiaoguang and Dairi, Tohru and Minami, Atsushi and Oikawa, Hideaki} } @article {44221, title = {Epoxyazadiradione suppresses breast tumor growth through mitochondrial depolarization and caspase-dependent apoptosis by targeting PI3K/Akt pathway}, journal = {BMC Cancer}, volume = {18}, year = {2018}, month = {JAN}, pages = {52}, type = {Article}, abstract = {

Background: Breast cancer is one of the most commonly diagnosed invasive cancers among women around the world. Among several subtypes, triple negative breast cancer (TNBC) is highly aggressive and chemoresistant. Treatment of TNBC patients has been challenging due to heterogeneity and devoid of well-defined molecular targets. Thus, identification of novel effective and selective agents against TNBC is essential. Methods: We used epoxyazadiradione to assess the cell viability, mitochondrial potential, ROS level, cell migration, apoptosis and protein expression in cell culture models of TNBC MDA-MB-231 and ER+MCF-7 breast cancer cells. The molecular mechanism was examined in two different type of breast cancer cells in response to epoxyazadiradione. We have also analyzed the effect of epoxyazadiradione on breast tumor growth using in vivo mice model. Results: In this study, we for the first time investigated that out of 10 major limonoids isolated from Azadirachta indica, epoxyazadiradione exhibits most potent anti-cancer activity in both TNBC and ER+breast cancer cells. Epoxyazadiradione induces apoptosis and inhibits PI3K/Akt-mediated mitochondrial potential, cell viability, migration and angiogenesis. It also inhibits the expression of pro-angiogenic and pro-metastatic genes such as Cox2, OPN, VEGF and MMP-9 in these cells. Furthermore, epoxyazadiradione attenuates PI3K/Akt- mediated AP-1 activation. Our in vivo data revealed that epoxyazadiradione suppresses breast tumor growth and angiogenesis in orthotopic NOD/SCID mice model. Conclusion: Our findings demonstrate that epoxyazadiradione inhibits PI3K/Akt-dependent mitochondrial depolarisation, induces apoptosis and attenuates cell migration, angiogenesis and breast tumor growth suggesting that this compound may act as a potent therapeutic agent for the management of breast cancer.

}, keywords = {Angiogenesis, Apoptosis, Breast cancer, Limonoids, Metastasis, PI3K}, issn = {1471-2407}, doi = {10.1186/s12885-017-3876-2}, author = {Kumar, Dhiraj and Haldar, Saikat and Gorain, Mahadeo and Kumar, Santosh and Mulani, Fayaj A. and Yadav, Amit S. and Miele, Lucio and Thulasiram, Hirekodathakallu V. and Kundu, Gopal C.} } @article {44470, title = {Ethoxy-ester functionalized imidazolium based ionic liquids for lithium ion batteries }, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {JUN}, pages = {6255-6261}, abstract = {Ethoxy ester functionalized imidazolium and bis(tri fluoromethanesulfonyl)imide based ionic liquids (ILs) are synthesized and considered as electrolyte for lithium ion batteries. The series of ethoxy ester functionalized ionic liquids were chosen with increase in ethoxy unit from one to three, followed by polymeric units. These ionic liquids provide both ester and ethoxy groups as interaction sites for Li+ ions enhancing the Li+ ion transportation, resulting in ionic conductivity of 10(-3) Scm(-1) at 25 degrees C, which is of 10(3) factor higher than ethoxy containing polyethylene oxide solid polymer electrolyte. It{\textquoteright}s noteworthy that the conductivity increases as ethoxy units are increased from one to three units, followed by a decrease for the polymeric ethoxy unit. Electrochemical stability window of these ionic liquids improves as the ethoxy groups are added to imidazolium cation. The Li/LiFePO4 cell fabricated with [ME(3)AMIm][TFSI] electrolyte shows good initial discharge capacity of 98.5 mAhg(-1) at 0.05 C-rate at room temperature, which gradually decreases with cycling. Systematic investigation of electrode surfaces by using SEM and EDX shows deposition of passivation layers on their surfaces. Ionic liquids fabricated by this facile method provide a promising model system for understanding the molecular interactions in promoting the lithium-ion conduction mechanism. The advantages and the limits associated to series of ionic liquid electrolytes are critically investigated.}, doi = {10.1002/slct.201800513}, author = {Nirmale, Trupti and Khupse, Nageshwar and Gore, Rohitkumar and Ambekar, Jalindar and Kulkarni, Milind and Varma, Anjanikumar and Kale, Bharat} } @article {45492, title = {Evaluation of humidity sensor based on PVP-RGO nanocomposites}, journal = {IEEE sensors journal }, volume = {18}, year = {2018}, month = {NOV}, pages = {9097-9104}, type = {Article }, abstract = {

his paper describes the humidity sensing properties of one step in situ synthesized poly (N-vinyl pyrrolidone)- reduced graphene oxide (PVP-RGO) nanocomposites. Different PVP-RGO nanocomposites were obtained by varying PVP/GO weight \%ratio as x/50 mg, wherein x = 25, 50, and 75 mg, respectively. The real-time adsorption kinetics of the water molecules during the humidity sensing were also discussed using Elovich model, pseudo first and second order equations. The increase in humidity response of 1.5 PVP-RGO nanocomposite is attributed to the presence of large amount of oxygen functionalities. The above observation was corroborated using spectroscopic analysis. The optimized PVP-RGO nanocomposite showed faster response kinetics with response and recovery times of 10 and 20 s, respectively. The present humidity sensor shows remarkable linearity over the range of 20-90\%RH. More specifically, sensitivity was correlated with oxygen functionalities created due to variation of PVP during the functionalization of RGO nanosheets.

}, issn = { 1530-437X}, doi = {10.1109/JSEN.2018.2870324}, author = {Bhangare, Bhagyashri and Jagtap, Shweta and Ramgir, Niranjan and Waichal, Rupali and Muthe, K. P. and Gupta, S. K. and Gadkari, Sanjay C. and Aswal, D. K. and Gosavi, Suresh} } @article {45394, title = { Exploring immuno-regulatory mechanisms in the tumor microenvironment: model and design of protocols for cancer remission}, journal = {Plos One}, volume = {13}, year = {2018}, month = {SEP}, type = {Article}, abstract = {The tumor microenvironment comprising of the immune cells and cytokines acts as the {\textquoteright}soil{\textquoteright} that nourishes a developing tumor. Lack of a comprehensive study of the interactions of this tumor microenvironment with the heterogeneous sub-population of tumor cells that arise from the differentiation of Cancer Stem Cells (CSC), i.e. the {\textquoteright}seed{\textquoteright}, has limited our understanding of the development of drug resistance and treatment failures in Cancer. Based on this seed and soil hypothesis, for the very first time, we have captured the concept of CSC differentiation and tumor-immune interaction into a generic model that has been validated with known experimental data. Using this model we report that as the CSC differentiation shifts from symmetric to asymmetric pattern, resistant cancer cells start accumulating in the tumor that makes it refractory to therapeutic interventions. Model analyses unveiled the presence of feedback loops that establish the dual role of M2 macrophages in regulating tumor proliferation. The study further revealed oscillations in the tumor sub-populations in the presence of T-H1 derived IFN-gamma that eliminates CSC; and the role of IL10 feedback in the regulation of T-H1/T-H2 ratio. These analyses expose important observations that are indicative of Cancer prognosis. Further, the model has been used for testing known treatment pro-tocols to explore the reasons of failure of conventional treatment strategies and propose an improvised protocol that shows promising results in suppressing the proliferation of all the cellular sub-populations of the tumor and restoring a healthy T-H1/T-H2 ratio that assures better Cancer remission.}, doi = {10.1371/journal.pone.0203030}, author = {Ganguli, Piyali and Sarkar, Ram Rup} } @article {44614, title = {Facile, environmentally benign and scalable approach to produce pristine few layers graphene suitable for preparing biocompatible polymer nanocomposites}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {JUL}, pages = {11228}, abstract = {

The success of developing graphene based biomaterials depends on its ease of synthesis, use of environmentally benign methods and low toxicity of the chemicals involved as well as biocompatibility of the final products/devices. We report, herein, a simple, scalable and safe method to produce defect free few layers graphene using naturally available phenolics i.e. curcumin/tetrahydrocurcumin/ quercetin, as solid-phase exfoliating agents with a productivity of similar to 45 g/batch (D/G = 0.54 and D/D{\textquoteright} \<= 1.23). The production method can also be employed in liquid-phase using a ball mill (20 g/batch, D/G \<= 0.23 and D/D{\textquoteright} \<= 1.12) and a sand grinder (10 g/batch, D/G \<= 0.11 and D/D similar to = 0.78). The combined effect of p-p interaction and charge transfer (from curcumin to graphene) is postulated to be the driving force for efficient exfoliation of graphite. The yielded graphene was mixed with the natural rubber (NR) latex to produce thin film nanocomposites, which show superior tensile strength with low modulus and no loss of \% elongation at break. In-vitro and in-vivo investigations demonstrate that the prepared nanocomposite is biocompatible. This approach could be useful for the production of materials suitable in products (gloves/condoms/catheters), which come in contact with body parts/ body fluids.

}, issn = {2045-2322}, doi = {10.1038/s41598-018-28560-1}, author = {George, Gejo and Sisupal, Suja Bhargavan and Tomy, Teenu and Kumaran, Alaganandam and Vadivelu, Prabha and Suvekbala, Vemparthan and Sivaram, Swaminathan and Ragupathy, Lakshminarayanan} } @proceedings {44477, title = {Facile one-pot hydrothermal approach for the preparation of CuO/rGO nanocomposites with different morphologies}, volume = {1953}, year = {2018}, month = {MAY}, publisher = {2nd International Conference on Condensed Matter and Applied Physics (ICC 2017)}, address = {Bikaner; India.}, abstract = {

Graphene-based metal oxides such as Cu2O, SnO2, CuO, Fe3O4, MnO2 are promising candidates for many applications because of their advantageous properties. Amongst all, CuO has been widely studied because of its excellent electrocatalytic activity. Although many methodologies have been developed for the synthesis of CuO/graphene nanostructures with different morphologies including nanorods, nanoparticles, nanosheets, flower, urchin; not many investigations have been done on one pot synthesis method for CuO/reduced graphene oxide (rGO) nanocomposites to achieve different morphologies. Therefore in the present work effort has been made to synthesize various CuO-rGO nanocomposites via surfactant (CTAB) assisted hydrothermal method. Detailed study was performed to monitor the effect of various reaction parameters like temperature, reaction time, reactant concentration on the synthesized nanocomposites. Several analytical tools, including XRD, SEM, FTIR and UV-Vis spectroscopy have been utilized to characterize the samples. XRD results showed formation of monoclinic structure of CuO along with presence of rGO. Calculated optical bandgap studies indicate decrease in the bandgap of synthesized CuO (Eg=4.5eV-4.34eV) with increase in temperature from 120{\textdegree}C to 180{\textdegree}C. Our results clearly demonstrate that reaction parameters play a key role to bring out the optical and morphological changes in the CuO-rGO nanocomposites.

}, doi = {10.1063/1.5032517}, author = {Ajit, Akshata V. and Gawli, Yogesh P. and Ethiraj, Anita Sagadevan} } @article {45403, title = { Facilitated lithium storage in hierarchical microsphere of Cu2S-MoS2 ultrathin nanosheets}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {OCT}, pages = {11020-11026}, type = {Article}, abstract = {Considering the high energy density Lithium ion batteries have become one of the best option for next-generation energystorage technologies. Transition metal chalcogenide nanomaterials are promising electrodes for Lithium-ion batteries. Molybdenum based layered chalcogenide materials wisely studied for rechargeable Li-ion batteries, due to its two-dimensional (2D) layered structure and better specific capacity. The three-dimensional (3D) synthesis of microsphere by ultrathin nanosheets is necessary for practical applications. Herein, the fabrication of a unique hierarchical 2D layered Cu2S-MoS2 nanostructure was (ultrathin nanosheets) demonstrated via in situ assembling of two-dimensional (2D) growths in facile solvothermal technique. The structural study reveals the existence of Cubic Cu2S and Rhombohedral MoS2 phase. Morphological study by FESEM and TEM shows unique ultrathin nanosheets of similar to 10 nm thickness self-assembled in the form of layered microsphere. In Li- ion storage testing, Cu2S-MoS2 electrode exhibited good specific discharge capacity of 651 mAhg(-1) at 50 mAg(-1) applied current and maintained 320 mAhg(-1) after 100 cycles. The facilitated advanced electrochemical performance attributed to layered ultrathin Cu2S-MoS2 composite nanosheets.}, issn = { 2365-6549}, doi = {10.1002/slct.201802470}, author = {Kadam, Sunil R. and Kalubarme, Ramchandra S. and Deshmukh, Shrutika P. and Panmand, Rajendra P. and Kawade, Ujjwala, V. and Kulkarni, Milind, V. and Deo, Shriniwas S. and Gosavi, Suresh W. and Kale, Bharat B.} } @article {45393, title = { Fast dissolving moxifloxacin hydrochloride antibiotic drug from electrospun Eudragit L-100 nonwoven nanofibrous mats}, journal = {Materials Science \& Engineering C-Materials For Biological Applications }, volume = {92}, year = {2018}, month = {NOV}, pages = { 526-539}, type = {Article}, abstract = {Antimicrobial electrospun nonwoven Eudragit L-100 nanofibrous mats containing Moxifloxacin hydrochloride (MOX-HCL) were fabricated for fast dissolving drug delivery systems (DDSs) associated with wound infection. The morphological characterization of nanofibers using ESEM revealed that the average diameter of non-woven nanofibrous mats ranges 200-600 nm. The nanofiber showed cylindrical shape with crack on the surface. Differential scanning calorimetric (DSC) and Wide Angle X-ray diffraction (WAXRD) demonstrate that the drug exists in an amorphous state in the nanofibers. Nanofibrous mats were also tested for mechanical strength, contact angle, swelling assay, haemolysis and disintegration test. In vitro disintegration tests demonstrated that the dissolution of Eudragit L-100 fiber mats was within 25 s which was higher compared to the pure drug. The Eudragit nanofibers showed pH-dependent drug release profiles, with slow release at pH 1.2 and burst release (around 30 s) at pH 6.8. The in-vitro quantitative and qualitative antimicrobial assay showed that the developed Eudragit L-100 nanofibrous mats with MOX-HCL concentration of 1\%, 5\% and 15 wt\% exhibited antibacterial activities against both gram positive (Staphylococcus aureus) and gram negative (Escherichia coli) bacteria. The invitro cytotoxicity assay using mouse fibroblast NIH/3T3 cells demonstrated significant biocompatibility of nanofiber mats. As per the results of biological evaluation, Eudragit L-100 nanofibrous mats with 1wt\% MOX-HCL could be a suitable substrate for biomedical applications. Eudragit L-100 nanofibrous mats containing Moxifloxacin hydrochloride (MOX-HCL) showed immediate DDSs for localized drug release in the wound infection at slightly acidic or alkaline conditions where faster drug release rate is required for wound healing.}, issn = {0928-4931}, doi = {10.1016/j.msec.2018.06.031}, author = {Giram, Prabhanjan S. and Shitole, Ajinkya and Nande, Smita S. and Sharma, Neeti and Garnaik, Baijayantimala} } @article {44654, title = {First total synthesis of the proposed structure of pandangolide 1}, journal = {European Journal of Organic Chemistry}, year = {2018}, month = {JUL}, pages = {3352-3364}, abstract = {

The first total synthesis of the proposed structure of pandangolide 1 is reported. The synthesis was carried out using both an organocatalytic approach and a chiral-pool approach. The required stereochemistry at C-3 and C-5 was installed by using an organocatalytic aldol reaction and a stereoselective ketone reduction. The construction of the 12-membered core was achieved by 2-methyl-6-nitrobenzoic anhydride-mediated Shiina lactonization. The structure of target molecule was confirmed unambiguously by single-crystal X-ray analysis, but the optical rotation and NMR spectroscopic data of the synthetic pandangolide 1 were found to be inconsistent with the natural product.

}, keywords = {lactones, Macrocycles, Natural products, structure elucidation, synthesis design, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201800675}, author = {Show, Krishanu and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {44608, title = {Fluorescent chemodosimeter for quantification of Cystathionine-y-synthase activity in plant extracts and imaging of endogenous biothiols}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {AUG}, pages = {9079-9082}, type = {Article}, abstract = {

A new reagent for quantification of CgS in plant extracts using a generalized methodology suitable for recognition of homocysteine (Hcy) with luminescence ON response.

}, doi = {10.1039/C8CC04296A}, author = {Agarwalla, Hridesh and Hoskere, Anila A. and Ali, Firoj and Pradhan, Swaraj Rashmi and Ganguly, Bishwajit and Pramanik, Sumit kumar and Das, Amitava} } @article {44479, title = {GA3 application in grapes (Vitis vinifera L.) modulates different sets of genes at cluster emergence, full bloom, and berry stage as revealed by RNA sequence-based transcriptome analysis}, journal = {Functional \& Integrative Genomics}, volume = {18}, year = {2018}, month = {JUL}, pages = {439{\textendash}455}, abstract = {In grapes (Vitis vinifera L.), exogenous gibberellic acid (GA3) is applied at different stages of bunch development to achieve desirable bunch shape and berry size in seedless grapes used for table purpose. RNA sequence-based transcriptome analysis was used to understand the mechanism of GA3 action at cluster emergence, full bloom, and berry stage in table grape variety Thompson Seedless. At cluster emergence, rachis samples were collected at 6 and 24 h after application of GA3, whereas flower clusters and berry samples were collected at 6, 24, and 48 h after application at full bloom and 3{\textendash}4 mm berry stages. Seven hundred thirty-three genes were differentially expressed in GA3-treated samples. At rachis and flower cluster stage respectively, 126 and 264 genes were found to be significantly differentially expressed within 6 h of GA3 application. The number of DEG reduced considerably at 24 h. However, at berry stage, major changes occurred even at 24 h and a number of DEGs at 6 and 24 h were 174 and 191, respectively. As compared to upregulated genes, larger numbers of genes were downregulated. Stage-specific response to the GA3 application was observed as evident from the unique set of DEGs at each stage and only a few common genes among three stages. Among the DEGs, 67 were transcription factors. Functional categorization and enrichment analysis revealed that several transcripts involved in sucrose and hexose metabolism, hormone and secondary metabolism, and abiotic and biotic stimuli were enriched in response to application of GA3. A high correlation was recorded for real-time PCR and transcriptome data for selected DEGs, thus indicating the robustness of transcriptome data obtained in this study for understanding the GA3 response at different stages of berry development in grape. Chromosomal localization of DEGs and identification of polymorphic microsatellite markers in selected genes have potential for their use in breeding for varieties with improved bunch architecture.}, keywords = {Bunch architecture, GA3 response, Microsatellite markers, RNA seq, Transcription factors, Vitis vinifera}, issn = {1438-793X}, doi = {10.1007/s10142-018-0605-0}, author = {Upadhyay, Anuradha and Maske, Smita and Jogaiah, Satisha and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article {44482, title = {Generic and scalable method for the preparation of monodispersed metal sulfide nanocrystals with tunable optical properties}, journal = {Langmuir}, volume = {34}, year = {2018}, month = {MAY}, pages = {5788-5797}, abstract = {

A rational synthetic method that produces monodisperse and air-stable metal sulfide colloidal quantum dots (CQDs) in organic nonpolar solvents using octyl dithiocarbamic acid (C(8)DTCA) as a sulfur source, is reported. The fast decomposition of metal-C(8)DTCA complexes in presence of primary amines is exploited to achieve this purpose. This novel technique is generic and can be applied to prepare diverse CQDs, like CdS, MnS, ZnS, SnS, and In2S3, including more useful and in-demand PbS CQDs and plasmonic nanocrystals of Cu2S. Based on several control reactions, it is postulated that the reaction involves the in situ formation of a metal-C(8)DTCA complex, which then reacts in situ with oleylamine at slightly elevated temperature to decompose into metal sulfide CQDs at a controlled rate, leading to the formation of the materials with good optical characteristics. Controlled sulfur precursor{\textquoteright}s reactivity and stoichiometric reaction between C(8)DTCA and metal salts affords high conversion yield and large-scale production of monodisperse CQDs. Tunable and desired crystal size could be achieved by controlling the precursor reactivity by changing the reaction temperature and reagent ratios. Finally, the photovoltaic devices fabricated from PbS CQDs displayed a power conversion efficiency of 4.64\% that is comparable with the reported values of devices prepared with PbS CQDs synthesized by the standard methods.

}, doi = {10.1021/acs.langmuir.8b00741}, author = {Bera, Abhijit and Mandal, Debranjan and Goswami, Prasenjit N. and Rath, Arup K. and Bhagavatula L. V. Prasad} } @article {45422, title = {Genetic and phytochemical investigations for understanding population variability of the medicinally important tree Saraca asoca to help develop conservation strategies}, journal = {Phytochemistry}, volume = {156}, year = {2018}, month = {DEC}, pages = {43-54}, type = {Article}, abstract = {Saraca asoca (Roxb.) De Wilde (Caesalpiniaceae) is a highly traded IUCN red listed tree species used in Ayurvedic medicines for the treatment of various disorders, especially gynaecological problems. However, information about the genetic variations between populations and corresponding variation in specialized metabolites of S. asoca remains unclear. To address this issue, we analysed 11 populations of S. asoca with 106 accessions collected from Western Ghats of India using ISSR markers along with selected phytocompounds using RP-HPLC. Twenty primers were screened, out of which seven were selected for further analysis based on generation of clear polymorphic banding patterns. These seven ISSR primers produced 74 polymorphic loci. AMOVA showed 43\% genetic variation within populations and 57\% among the populations of S. asoca. To estimate the genetic relationships among S. asoca populations, UPGMA and Bayesian Models were constructed, which revealed two clusters of similar grouping patterns. However, excluding minor deviations, UPGMA and dissimilarity analysis showed close association of genotypes according to their geographical locations. Catechin (CAT), epicatechin (EPI) and gallic acid (GA) were quantified from bark and leaf samples of corresponding genotypes collected from 106 accessions. ROC plots depicted the sensitivity and specificity of the concentrations of tested phytocompounds at various cut-off points. Although, multiple logistic regression analysis predicted some association between few loci with GA, EPI and CAT, but PCA for phytochemical data failed to distinguish the populations. Overall, there were no significant trends observed to distinguish the populations based on these phytocompounds. Furthermore, the study advocates the delineate provenance regions of S. asoca genotypes/chemotype snapshots for in-situ conservation and ex-situ cultivation.}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2018.08.016}, author = {Hegde, Satisha and Pai, Sandeep Ramchandra and Bhagwat, Rasika M. and Saini, Archana and Rathore, Poonam Kanwar and Jalalpure, Sunil Satyappa and Hegde, Harsha Vasudev and Sugunan, Attayoor Purushottaman and Gupta, Vidya S. and Kholkute, Sanjiva D. and Roy, Subarna} } @inbook {45577, title = {Genomic roadmaps for augmenting salinity stress tolerance in crop plants}, booktitle = {Salinity Responses and Tolerance in Plants}, volume = {2}, year = {2018}, pages = {189-216}, publisher = {Springer}, organization = {Springer}, chapter = {8}, abstract = {Serious antagonistic impacts of saline environment on plant growth, development, and yield are well established. In this regard, researchers and breeders have been utilizing many conventional as well as modern approaches to aid the pro- cess of developing salt-tolerant crops. Biotechnological tools have made the task of engineering salinity tolerance in plants easier. Currently, two major annexes are effectively employed to develop salt-tolerant crops, first, investigation of genetic variation via marker-assisted selection (MAS) and second the transgenic technology. Sustenance of plants under dynamically growth-limiting saline environment depends on alterations and/or switching between multiple biochemical pathways involved in response. A number of key regulatory genes have been successfully identified and characterized in this context which can be explored to serve the purpose of alleviation in salt-tolerant nature of plants. Several genomics-abetted approaches have been reported aiming toward improvement in growth and yield of crops under saline envi- ronment. Present chapter focuses on genomic roadmaps for augmentation of crop salt tolerance by various methods including MAS, transgenic breeding, manipulations in small non-coding RNAs, and genome editing. These approaches utilize key players involved in salinity-mediated plant defense mechanisms, such as ion transporters, osmolytes, antioxidants, transcription factors, signaling proteins, and microRNA. The chapter attempts to summarize the effective targets and exploration of these key entities to raise salt-tolerant plants through various genomics-related tools. }, isbn = {978-3319903170}, doi = {10.1007/978-3-319-90318-7_8}, author = {Suprasanna, P. and Ghuge, S. A. and Patade, V. Y. and Mirajkar, S. J. and Nikalje, G. C.} } @article {44485, title = {Global transcriptome analysis of grapevine ( Vitis vinifera L.) leaves under salt stress reveals differential response at early and late stages of stress in table grape cv. Thompson Seedless}, journal = {Plant Physiology and Biochemistry}, volume = {129}, year = {2018}, month = {MAY}, pages = {168-179}, abstract = {Among the different abiotic stresses, salt stress has a significant effect on the growth and yield of grapevine (Vitis vinifera L.). In this study, we employed RNA sequence based transcriptome analysis to study salinity stress response in grape variety Thompson Seedless. Salt stress adversely affected the growth related and physiological parameters and the effect on physiological parameters was significant within 10 days of stress imposition. A total of 343 genes were differentially expressed in response to salt stress. Among the differentially expressed genes (DEGs) only 42 genes were common at early and late stages of stress. The gene enrichment analysis revealed that GO terms related to transcription factors were over-represented. Among the DEGs, 52 were transcription factors belonging to WRKY, EREB, MYB, NAC and bHLH families. Salt stress significantly affected several pathways like metabolic pathways, biosynthesis of secondary metabolites, membrane transport development related pathways etc. 343 DEGs were distributed on all the 19 chromosomes, however clustered regions of DEGs were present on chromosomes 2, 5, 6 and 12 suggesting probable QTLs for imparting tolerance to salt and other abiotic stresses. Real-time PCR of selected genes in control and treated samples of grafted and own root vines demonstrated that rootstock influenced expression of salt stress responsive genes. Microsatellite regions were identified in ten selected salt responsive genes and highly polymorphic markers were identified using fifteen grape genotypes. This information will be useful for the identification of key genes involved in salt stress tolerance in grape. The identified DEGs could also be useful for genome wide analysis for the identification of polymorphic markers for their subsequent use in molecular breeding for developing salt tolerant grape genotypes.}, doi = {10.1016/j.plaphy.2018.05.032}, author = {Upadhyay, Anuradha and Gaonkar, Tulsi and Upadhyay, Ajay Kumar and Jogaiah, Satisha and Shinde, Manisha P. and Kadoo, Narendra and Gupta, Vidya Shrikant} } @article {44490, title = {Greener L-lactic acid production through in situ extractive fermentation by an acid-tolerant Lactobacillus strain}, journal = {Applied Microbiology and Biotechnology}, year = {2018}, month = {MAY}, abstract = {Lactic acid (LA) fermentation requires a neutralizer for a physiologically acceptable range. However, a neutralizer generates a large amount of gypsum, an environmental pollutant. Furthermore, the downstream processing is complicated and expensive, comprising 50{\textendash}70\% of the total cost. We previously developed a Lactobacillus delbrueckii FM1, which can produce undissociated LA without neutralizer. Here, we improved FM1 by adaptive evolution at pH 4.5, which generated Adp FM1 showing an ~ 1.80-fold increase in LA production compared to FM1. The LA production via fed-batch fermentation yielded 36.2 g/L of LA, with a productivity of 0.500 g/L/h. However, cell viability was reduced due to the acidic pH and/or end-product inhibition. Therefore, an in situ LA recovery process using an extractive solvent was employed to maintain cell viability. Adp FM1 produced 49.2 g/L of LA via in situ LA-extractive fed-batch fermentation, which was ~ 1.4-fold higher than that without LA extraction. Adp FM1 provided a total LA productivity of 0.512 g/L/h in 96 h. Among the tested strains, Adp FM1 exhibited the highest H$^{+}$-ATPase activity and a 415-fold increase in H$^{+}$-ATPase gene expression compared to the parent strain. These results suggest that the in situ LA extractive fermentation process will ease downstream processing and prove to be a more economical and environmentally friendly option compared to the present fermentation. To our knowledge, this is the first report on the production of undissociated L-LA by Lactobacillus using an in situ recovery process, with high LA production levels and productivity.}, doi = {10.1007/s00253-018-9084-4}, author = {Singhvi, Mamata S. and Zendo, Takeshi and Gokhale, Digambar and Sonomoto, Kenji} } @article {45455, title = {Harnessing nucleophilicity of allenol ester with p-quinone methides via gold catalysis: application to the synthesis of diarylmethine-substituted enones}, journal = {Journal of Organic Chemistry}, volume = {83 }, year = {2018}, month = {AUG}, pages = {9353-9363}, type = {Article}, abstract = {A gold(I)-catalyzed protocol for intermolecular 1,6-conjugate addition of nucleophilic allenol ester generated in situ through [3,3]-sigmatropic rearrangement with p-quinone methides (p-QMs) has been developed. The gold catalyst plays a dual role by the pi-acid-triggered activation of alkynes and at the same time as a Lewis acid for activation of p-QMs toward nucleophilic attack. This method enables rapid access to a wide range of densely functionalized diarylmethine-substituted enones, a Morita-Baylis-Hillman (MBH) product with high selectivity, excellent yields, and broad substrate scope.}, doi = {10.1021/acs.joc.8b01294}, author = {Sharma, Brijesh M. and Rathod, Jayant and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {44212, title = {Harnessing visible-light and limited near-IR photons through plasmon effect of gold nanorod with AgTiO2}, journal = {Journal of Physical Chemistry C}, volume = {122}, year = {2018}, month = {JAN }, pages = {1206-1214}, type = {Article}, abstract = {

The utilization of the red-green-blue (RGB) and limited near-IR photons for solar hydrogen evolution (SHE) has been reported in a single plasmonic nanocomposite. Present study describes the use of AgTiO2 (AgT) decorated with Au nanorods (AgT-AuNR) to enhance the absorption of entire visible-light and limited near-IR wavelength range in the sunlight for SHE from photocatalytic water splitting reaction. It is demonstrated that the longitudinal plasmon resonance of AuNR in AgT-AuNR induces SHE between 550 and 800 nm, whereas TiO2-AuNR or AgT shows no activity in this wavelength range. The key aspect of achieving the high photocatalytic activity of AgT-AuNR in the solar spectrum is the electronic integration among metal NPs as well as with TiO2, and the heterojunctions among them. Presence of such heterojunctions has been supported by different characterization studies. However, gold nanorod exhibits field effect and further enhances light harvesting. Although the absolute amount of energy harvested only from near-IR photons is low, when combined with high-energy visible-light photons within one sun conditions, it shows a multiplier effect rather than a simple additive effect. Likely, this is the first report, where SHE has been achieved with significant amount of light absorption at lambda \>= 550 nm with a plasmonic nanocomposite.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b10289}, author = {Patra, Kshirodra Kumar and Gopinath, Chinnakonda S.} } @article {44492, title = {Helically structured peptide architecture engineered using dimedone as a rigid organic scaffold}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAR}, pages = {2776-2780}, abstract = {This communication reports the use of a rigid organic scaffold to attach two unsymmetrical peptide chains on a single carbon atom. The approach describes the step-by-step attachment of peptide chains to the rigid dimedone template (5,5-dimethyl-1,3-cyclohexanedione) - a molecular scaffold that directs orientation of the peptide helices in a well-defined arrangement via intra-molecular hydrogen bonding. The overall topology of the final molecules was studied using CD spectroscopy which suggested existence of helical architecture.}, doi = {10.1002/slct.201702856}, author = {Nadimpally, Krishna C. and Madica, Krishnaprasad and Kotmale, Amol S. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {44493, title = {High and reversible lithium ion storage in self-exfoliated triazole-triformyl phloroglucinol-basedcovalent organic nanosheets}, journal = {Advanced Energy Materials}, volume = {8}, year = {2018}, month = {MAR}, pages = {Article Number: 1702170}, abstract = {Covalent organic framework (COF) can grow into self-exfoliated nanosheets. Their graphene/graphite resembling microtexture and nanostructure suits electrochemical applications. Here, covalent organic nanosheets (CON) with nanopores lined with triazole and phloroglucinol units, neither of which binds lithium strongly, and its potential as an anode in Li-ion battery are presented. Their fibrous texture enables facile amalgamation as a coin-cell anode, which exhibits exceptionally high specific capacity of approximate to 720 mA h g(-1) (@100 mA g(-1)). Its capacity is retained even after 1000 cycles. Increasing the current density from 100 mA g(-1) to 1 A g(-1) causes the specific capacity to drop only by 20\%, which is the lowest among all high-performing anodic COFs. The majority of the lithium insertion follows an ultrafast diffusion-controlled intercalation (diffusion coefficient, D-Li(+) = 5.48 x 10(-11) cm(2) s(-1)). The absence of strong Li-framework bonds in the density functional theory (DFT) optimized structure supports this reversible intercalation. The discrete monomer of the CON shows a specific capacity of only 140 mA h g(-1) @50 mA g(-1) and no sign of lithium intercalation reveals the crucial role played by the polymeric structure of the CON in this intercalation-assisted conductivity. The potentials mapped using DFT suggest a substantial electronic driving-force for the lithium intercalation. The findings underscore the potential of the designer CON as anode material for Li-ion batteries.}, doi = {10.1002/aenm.201702170}, author = {Haldar, Sattwick and Roy, Kingshuk and Nandi, Shyamapada and Chakraborty, Debanjan and Puthusseri, Dhanya and Gawli, Yogesh and Ogale, Satishchandra and Vaidhyanathan, Ramanathan} } @article {45517, title = {Highly efficient field emission properties of radially aligned carbon nanotubes}, journal = {Journal of Materials Chemistry C}, volume = {6}, year = {2018}, month = {MAY}, pages = {6584-6590}, type = {Article}, abstract = {Here, we report extraordinary field emission properties from one pot synthesized aligned carbon nanotubes endowed with related Fe nanoparticles (NPs). The CNT configuration is in the form of a carbon hollow cylinder (CHC) with CNTs radially aligned towards the CHC axis. The structure generates electron field emission properties such as an ultralow turn on field (0.35 V μm-1 at 10 μA cm-2), a low threshold field (0.41 V μm-1 at 100 μA cm-2) and a high field emission current density (7.71 mA cm-2 at 0.78 V μm-1). It also exhibits multi-fold improvement in the field enhancement factor (1.34 {\texttimes} 104) with highly stable current emission at 100 μA measured for 14 h. No post synthesis treatment is required for enhanced field emission characteristics. The growth related Fe NPs assist in lowering the work function and hence enhancing the field emission properties. The possibility of assembling nano-structured field emitters into macroscale architectures suggests new prospects for next generation three dimensional electron sources.}, doi = {10.1039/c8tc00814k}, author = {Tripathi, P. and Gupta, B.K. and Bhatnagar, A and Patel, C.R.P and Banker, P.K. and Late, D.J. and More, M.A. and Lalla, N.P. and Phase, D.M., and Choudhary, R.J. and Shaz, M.A. and Ajayan, P.M. and Srivastava, O.N.} } @article {45548, title = {Highly reactive crystalline-phase-embedded strontium-bioactive nanorods for multimodal bioactive applications}, journal = {Biomaterials Science}, volume = {6}, year = {2018}, month = {JUL}, pages = {1764-1776}, type = {Article}, abstract = {In the present work, a crystallization-induced strontium-bioactive material, with a composition similar to Bioglass 45S5 system, was obtained using a sol-gel-assisted microwave method with nanorod morphologies of 30-80 nm in size. The effect of crystallization induced in the glass network, and its influence on the bioactivity and mechanical properties of bone and dentin regeneration, were the main novel findings of this work. Rietveld analysis of X-ray diffraction spectra showed the best fit with sodium (combeite, Na2Ca2Si3O9) and calcium (clinophosinaite, Ca2Na6O14P2Si2; calcium strontium silicate, Ca1.5O4SiSr0.5; and calcium carbonate, CaCO3) enriched crystal systems. Multinuclear solid-state NMR studies provided detailed atomistic insight into the presence of crystalline mineral phases in the bioactive material. The dentin matrix and antibacterial studies showed good results for 5\% strontium-substituted calcium compared with basic 45S5 composition due to its smaller particle size (30 nm), which suggested applications to dentin regeneration. Simulation studies have been demonstrated with clinophosinaite crystal data from the XRD spectra, with the glycoprotein salivary metabolites also showing that 5\% strontium-substituted calcium has a higher binding affinity for the salivary compound, which is suitable for dentin regeneration applications. In vitro apatite formation studies showed that this material is suitable for bone regeneration applications.}, issn = {20474830}, doi = {10.1039/c8bm00362a}, author = {Durgalakshmi, D. and Ajay Rakkesh, R. and Kesavan, M. and Ganapathy, S. and Ajithkumar, T.G. and Karthikeyan, S. and Balakumar, S.} } @article {44233, title = {High-performance field emission device utilizing vertically aligned carbon nanotubes-based pillar architectures}, journal = {AIP Advances}, volume = {8}, year = {2018}, month = {JAN}, pages = {015117}, type = {Article}, abstract = {

The vertical aligned carbon nanotubes (CNTs)-based pillar architectures were created on laminated silicon oxide/silicon (SiO2/Si) wafer substrate at 775 degrees C by using water-assisted chemical vapor deposition under low pressure process condition. The lamination was carried out by aluminum (Al, 10.0 nm thickness) as a barrier layer and iron (Fe, 1.5 nm thickness) as a catalyst precursor layer sequentially on a silicon wafer substrate. Scanning electron microscope (SEM) images show that synthesized CNTs are vertically aligned and uniformly distributed with a high density. The CNTs have approximately 2-30 walls with an inner diameter of 3-8 nm. Raman spectrum analysis shows G-band at 1580 cm(-1) and D-band at 1340 cm(-1). The G-band is higher than D-band, which indicates that CNTs are highly graphitized. The field emission analysis of the CNTs revealed high field emission current density (4mA/cm(2) at 1.2V/mu m), low turn-on field (0.6 V/mu m) and field enhancement factor (6917) with better stability and longer lifetime. Emitter morphology resulting in improved promising field emission performances, which is a crucial factor for the fabrication of pillared shaped vertical aligned CNTs bundles as practical electron sources. (c) 2018 Author(s).

}, issn = {2158-3226}, doi = {10.1063/1.5004769}, author = {Gupta, Bipin Kumar and Kedawat, Garima and Gangwar, Amit Kumar and Nagpal, Kanika and Kashyap, Pradeep Kumar and Srivastava, Shubhda and Singh, Satbir and Kumar, Pawan and Suryawanshi, Sachin R. and Seo, Deok Min and Tripathi, Prashant and More, Mahendra A. and Srivastava, O. N. and Hahm, Myung Gwan and Late, Dattatray J.} } @article {44356, title = {Hydrothermal synthesis of rGO-PbBi2Se4 composite and investigation of its structural, chemical and field emission properties}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {29}, year = {2018}, month = {JUN}, pages = {10494-10503}, type = {Article}, abstract = {In the present study we report the one step facile synthesis of pristine lead bismuth selenide (PbBi2Se4) and reduced graphene oxide (rGO) and its composites with PbBi2Se4. Formation of pristine PbBi2Se4 and rGO-PbBi2Se4 composite were confirmed by X-ray diffraction and X-ray photoelectron spectroscopy. The surface morphology and topography investigated by using scanning electron microscopy and transmission electron microscopy revealed the formation of nano-flowers pristine PbBi2Se4. After coupling pristine PbBi2Se4 with rGO the surface morphology shows the formation of sharp vertically protruded nano-sheets/nano-flaks originated from the nano-flowers. Finally, the field emission properties of pristine PbBi2Se4 and rGO-PbBi2Se4 composite have been investigated. It has been observed that the rGO-PbBi2Se4 composite emitter exhibited excellent field emission properties with low turn-on field (similar to 2.8 V/A mu m for 10 A mu A/cm(2)), high emission current density (similar to 1288 A mu A/cm(2) at 3.9 V/A mu m) and superior current stability (similar to 4.5 h for similar to 1 A mu A) compare to pristine PbBi2Se4 emitter. Thus, the facile one step synthesis approach and robust nature of rGO-PbBi2Se4 composite emitter can provide prospects for the future development of large-area emitter applications such as flat-panel-display and vacuum micro/nanoelectronics devices.}, doi = {10.1007/s10854-018-9114-0}, author = {Aher, Rahul and Bhorde, Ajinkya and Sharma, Priyanka and Nair, Shruthi and Borate, Haribhau and Pandharkar, Subhash and Rondiya, Sachin and Chaudhary, Minakshi and Gopinath, Chinnakonda and Suryawanshi, Sachin and More, Mahendra and Jadkar, Sandesh} } @article {44611, title = {Impact of half-crown/two carbonyl:-Ca2+ metal ion interactions of a low molecular weight gelator (LMWG) on its fiber to nanosphere morphology transformation with a gel-to-sol phase transition}, journal = {Soft Matter}, volume = {14}, year = {2018}, month = {JUL}, pages = {5821-5831}, abstract = {

We report here a smart functional low molecular weight gelator (LMWG) L, containing an unusual metal ion coordination site, i.e. {\textquoteleft}{\textquoteleft}half-crown/two carbonyl{\textquoteright}{\textquoteright}. The gelator L shows excellent gelation behavior with typical fibrillar morphology in acetonitrile, methanol and ethanol media. Upon Ca2+ ion binding with its {\textquoteleft}{\textquoteleft}half-crown/two carbonyl{\textquoteright}{\textquoteright} coordination site, the acetonitrile gel of L exhibits a fiber to nanosphere morphology transformation along with a gel-to-sol phase transition as confirmed by microscopic investigation and by direct naked eye visualization, respectively. The mechanism involved in this morphology transformation and gel-to-sol phase transition process was studied thoroughly with the help of computational calculations and various spectroscopic experiments and discussed.

}, issn = {1744-683X}, doi = {10.1039/c8sm01071d}, author = {Maity, Arunava and Dey, Ananta and Si, Mrinal Kanti and Ganguly, Bishwajit and Das, Amitava} } @article {44641, title = {Improved nonenzymatic glucose sensing properties of Pd/MnO2 nanosheets: synthesis by facile microwave-assisted route and theoretical insight from quantum simulations}, journal = {Journal of Physical Chemistry B}, volume = {122}, year = {2018}, month = {AUG}, pages = {7636-7646}, abstract = {

The electrocatalytic properties of manganese oxide (MnO2) can be improved significantly by making hybrids/composites with noble metals (Au, Pd). Here, efforts have been made to synthesize the MnO2/Au and MnO2/Pd nanocomposites by a facile, rapid microwave irradiation method. The products characterized by X-ray diffraction and transmission electron microscopy exhibited their tetragonal phase and nanosheet morphology. The efficiency of the prepared composite materials as glucose sensor was tested by cyclic voltammetry and chronoamperometry measurements, and the results are discussed. The study revealed that successful modification of MnO2 by Pd led to excellent sensing performance by the reduction of size and the synergistic effect between MnO2 and PdO, which expedites the electron transfer. Besides, the wide detection range, good selectivity, and stability demonstrate its robustness in the design of electrochemical sensor platform. To get theoretical insight into the excellent sensing performance of MnO2/Pd, we have performed detailed density functional theory simulations to explore the charge transfer and bonding mechanism of glucose on MnO2 and Pd/Au-doped MnO2 surface. Pd is bonded strongly on MnO2 and makes MnO2/Pd more conducting due to the enhancement of density of states near Fermi level. The higher binding energy of glucose and enhanced charge transfer from glucose to Pd-doped MnO2 compared to bare MnO2 infer that Pd-doped MnO2 possess superior charge-transfer kinetics, resulting in higher glucose sensing performance, which supports our experimental observations.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.8b01611}, author = {Ponnusamy, Rajeswari and Gangan, Abhijeet and Chakraborty, Brahmananda and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {45452, title = { In situ base release for pH maintenance can allow shake flasks to better mimic bioreactor performance for CHO cell culture}, journal = {Journal of Chemical Technology \& Biotechnology}, volume = {93}, year = {2018}, month = {OCT}, pages = {2842-2850}, type = {Article}, abstract = {BACKGROUNDShake flasks are widely used for evaluating mammalian cells in suspension. Lack of pH control can contribute to differences in culture performance between them and bioreactors. This study evaluates whether a previously reported in situ base releasing hydrogel (pHmH) to counter pH decrease can enable shake flask cultures to better mimic bioreactor cultures. RESULTSCompared with bioreactor culture, fed-batch cultures of a recombinant Chinese hamster ovary (CHO) cell-line in shake flasks without pHmH showed a decrease in pH to 6.6, accompanied by 40, 60 and 22\% lower peak cell density, lactate accumulation, and immunoglobulin G (IgG) titer, respectively. Use of pHmH allowed shake flasks to maintain pH above 6.8 and reduced this difference to 20, 30, and 15\%, respectively, thus enabling culture performance in shake flasks to better mimic the bioreactor. IgG glycosylation profiles were similar in identically fed cultures across all three platforms. Application of pHmH hydrogel during clone screening was evaluated by comparing correlation between titers for five recombinant CHO clones in bioreactors and shake flasks with and without pHmH; a higher correlation was found in shake flasks with pHmH than without. CONCLUSIONIn situ base release through hydrogel can allow identically fed fed-batch cultures in shake flasks to better mimic cell growth, lactate accumulation and IgG titers in bioreactors, without additional infrastructure. (c) 2018 Society of Chemical Industry.}, issn = {0268-2575}, doi = {10.1002/jctb.5635}, author = {Maralingannavar, Vishwanathgouda and Shenoy, Bharath R. and Hazarika, Jahnabi and Unnikrishnan, Divya and Prabhu, Anuja and Maity, Sunit and Gadgil, Mugdha} } @article {44366, title = {Inositol to aromatics -benzene free synthesis of poly oxygenated aromatics}, journal = {Carbohydrate Research}, volume = {461}, year = {2018}, month = {MAY}, pages = {38-44}, type = {Article}, abstract = {A method for the preparation of benzene derivatives from myo-inositol, an abundantly available phyto chemical is described. 1,3-Bridged acetals of inososes undergo step-wise elimination leading to the formation of polyoxygenated benzene derivatives. This aromatization reaction proceeds through the intermediacy of a beta-alkoxyenone, which could be isolated. This sequence of reactions starting from myoinositol, provides a novel route for the preparation of polyoxygenated benzene derivatives including polyoxygenated biphenyl. This scheme of synthesis demonstrates the potential of myo-inositol as a sustainable non-petrochemical resource for aromatic compounds. (C) 2018 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.carres.2018.03.007}, author = {Gurale, Bharat P. and Shashidhar, Mysore S. and Sardessai, Richa S. and Gonnade, Rajesh G.} } @article {44586, title = {Integrated transcriptomic and proteomic analyses suggest the participation of endogenous protease inhibitors in the regulation of protease gene expression in helicoverpa armigera}, journal = {Molecular \& Cellular Proteomics}, volume = {17}, year = {2018}, month = {JUL}, pages = {1324-1336}, abstract = {Insects adapt to plant protease inhibitors (PIs) present in their diet by differentially regulating multiple digestive proteases. However, mechanisms regulating protease gene expression in insects are largely enigmatic. Ingestion of multi-domain recombinant Capsicum annuum protease inhibitor-7 (CanPI-7) arrests growth and development of Helicoverpa armigera (Lepidoptera: Noctuidae). Using de novo RNA sequencing and proteomic analysis, we examined the response of H. armigera larvae fed on recombinant CanPI-7 at different time intervals. Here, we present evidence supporting a dynamic transition in H. armigera protease expression on CanPI-7 feeding with general down-regulation of protease genes at early time points (0.5 to 6 h) and significant up-regulation of specific trypsin, chymotrypsin and aminopeptidase genes at later time points (12 to 48 h). Further, coexpression of H. armigera endogenous PIs with several digestive protease genes were apparent. In addition to the differential expression of endogenous H. armigera PIs, we also observed a distinct novel isoform of endogenous PI in CanPI-7 fed H. armigera larvae. Based on present and earlier studies, we propose potential mechanism of protease regulation in H. armigera and subsequent adaptation strategy to cope with anti-nutritional components of plants.}, doi = {10.1074/mcp.RA117.000533}, author = {Lomate, Purushottam R. and Dewangan, Veena and Mahajan, Neha S. and Kumar, Yashwant and Kulkarni, Abhijeet and Wang, Li and Saxena, Smita and Gupta, Vidya S. and Giri, Ashok P.} } @article {44220, title = {Integrative analysis of rewired central metabolism in temozolomide resistant cells}, journal = {Biochemical and Biophysical Research Communications}, volume = {495}, year = {2018}, month = {JAN}, pages = {2010-2016}, type = {Article}, abstract = {

An authenticated U87MG clonal glioblastoma cell line was investigated to identify a sub-population of neurospheroidal (NSP) cells within the main epithelial population (U87MG). The NSP cells sorted using Fluorescence Assisted Cell Sorting (FACS) showed varied morphology, 30\% lower growth rates, 40\% higher IC50 values for temozolomide drug and could differentiate into the glial cell type (NDx). Metabolite profiling using HR-LCMS identified glucose, glutamine and serine in both populations and tryptophan only in U87MG as growth limiting substrates. Glycine, alanine, glutamate and proline were secreted by U87MG, however proline and glycine were re-utilized in NSP. Exo-metabolite profiling and phenotypic microarrays identified differential metabolism of primary carbon sources glucose and derived pyruvate for U87MG; glutamine and derived glutamate metabolism in NSP. Differential mRNA abundance of AKT1, PTEN, PIK3CA controlling metabolism, drug efflux, nutrient transport and epigenetic control MDM2 are potentially critical in shaping DNA methylation effects of temozolomide. Our study provides a new insight into the combined effect of these factors leading to temozolomide resistance in NSP. (C) 2017 Elsevier Inc. All rights reserved.

}, keywords = {Glutamine, Metabolic rewiring, Metabolite profiling, mRNA abundances, Temozolomide resistance, U87MG}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2017.12.073}, author = {Immanuel, Selva Rupa C. and Ghanate, Avinash D. and Parmar, Dharmeshkumar S. and Marriage, Fiona and Panchagnula, Venkateswarlu and Day, Nap J. and Raghunathan, Anu} } @article {44510, title = {Integrative approaches to understand the Mastery in manipulation of host cytokine networks by protozoan parasites with emphasis on Plasmodium and Leishmania species}, journal = {Frontiers in Immunology}, volume = {9}, year = {2018}, month = {FEB}, pages = {Article Number: 296}, abstract = {cDiseases by protozoan pathogens pose a significant public health concern, particularly in tropical and subtropical countries, where these are responsible for significant morbidity and mortality. Protozoan pathogens tend to establish chronic infections underscoring their competence at subversion of host immune processes, an important component of disease pathogenesis and of their virulence. Modulation of cytokine and chemokine levels, their crosstalks and downstream signaling pathways, and thereby influencing recruitment and activation of immune cells is crucial to immune evasion and subversion. Many protozoans are now known to secrete effector molecules that actively modulate host immune transcriptome and bring about alterations in host epigenome to alter cytokine levels and signaling. The complexity of multi-dimensional events during interaction of hosts and protozoan parasites ranges from microscopic molecular levels to macroscopic ecological and epidemiological levels that includes disrupting metabolic pathways, cell cycle (Toxoplasma and Theileria sp.), respiratory burst, and antigen presentation (Leishmania spp.) to manipulation of signaling hubs. This requires an integrative systems biology approach to combine the knowledge from all these levels to identify the complex mechanisms of protozoan evolution via immune escape during host-parasite coevolution. Considering the diversity of protozoan parasites, in this review, we have focused on Leishmania and Plasmodium infections. Along with the biological understanding, we further elucidate the current efforts in generating, integrating, and modeling of multi-dimensional data to explain the modulation of cytokine networks by these two protozoan parasites to achieve their persistence in host via immune escape during host-parasite coevolution.}, doi = {10.3389/fimmu.2018.00296}, author = {Mahanta, Anusree and Ganguli, Piyali and Barah, Pankaj and Sarkar, Ram Rup and Sarmah, Neelanjana and Phukan, Saurav and Bora, Mayuri and Baruah, Shashi} } @article {45391, title = {Interlayer hydrogen-bonded covalent organic frameworks as high-performance supercapacitors}, journal = {Journal of the American Chemical Society}, volume = {140}, year = {2018}, month = {SEP}, pages = { 10941-10945}, type = {Article}, abstract = {Covalent organic frameworks (COFs) have emerged as promising electrode materials in supercapacitors (SCs). However, their insoluble powder-like nature, poor capacitive performance in pristine form, integrated with inferior electrochemical stability is a primary concern for their long-term use in electrochemical devices. Keeping this in perspective, herein we report a redox active and hydrogen bonded COF with ultrahigh stability in conc. H2SO4 (18 M), conc. HCl (12 M) and NaOH (9 M). The as-synthesized COF fabricated as thin sheets were efficiently employed as a free-standing supercapacitor electrode material using 3 M aq. H2SO4 as an electrolyte. Moreover, the pristine COF sheet showcased outstanding areal capacitance 1600 mF cm(-2) (gravimetric 169 F g(-1)) and excellent cyclic stability (>100 000) without compromising its capacitive performance or Coulombic efficiency. Moreover, as a proof-of-concept, a solid-state supercapacitor device was also assembled and subsequently tested.}, doi = {10.1021/jacs.8b06460}, author = {Halder, Arjun and Ghosh, Meena and Khayum, Abdul M. and Bera, Saibal and Addicoat, Matthew and Sasmal, Himadri Sekhar and Karak, Suvendu and Kurungot, Sreekumar and Banerjee, Rahul} } @article {44589, title = {Judicious reduction of supported Ti catalyst enables access to disentangled ultrahigh molecular weight polyethylene}, journal = {Macromolecules}, volume = {51}, year = {2018}, month = {JUN }, pages = {4541-4552}, abstract = {

Heterogeneous Ziegler-Natta and homogeneous metallocene catalysts are known to produce ultrahigh molecular weight polyethylene (UHMWPE) in the entangled state. On the other hand, only (two) homogeneous single-site catalysts are reported to yield disentangled UHMWPE (dis-UHMWPE). This disparity between the two types of catalysts and the two states of polyethylene can be bridged if a heterogeneous single-site catalyst that can yield dis-UHMWPE is made accessible. Here, one-pot two-step synthesis of a MgCl2 supported [Ti(OEt)(4)] derived catalyst 1 with a two-stage activation strategy is reported to produce dis-UHMWPE. Second activation of catalyst 1 was performed by adding excess modified methylaluminoxane (MMAO12), and XPS analysis indicated that the catalyst existed in only Ti(III) state at [A1]/[Ti] ratio of 600. Catalyst 1 after second activation with MMAO12 was found to be highly active in ethylene polymerization and produced dis-UHMWPE. Polymerization conditions were tailored to obtain molecular weight (M-w) as high as 13 million g/mol PE. To the best of our knowledge, this is the first time a heterogeneous catalyst (catalyst 1) that displays pseudosingle site nature is able to produce dis-UHMWPE. The thus-prepared nascent polyethylene revealed a melting temperature of 141-144 degrees C, which is a characteristic melting transition for a dis-UHMVVPE. The disentangled state of the nascent PE and its M-w and MVVD were further authenticated by rheological investigations. Isothermal time, sweep oscillatory experiments in linear viscoelastic limit revealed a rapid rise in elastic modulus followed by equilibration to plateau modulus, which are characteristic features of the disentangled state. Thus, a pseudo-singlesite heterogeneous catalyst has been accessed, which upon second activation with excess MMAO12 led to the production of dis-UHMWPE.

}, issn = {0024-9297}, doi = {10.1021/acs.macromol.8b00590}, author = {Gote, Ravindra P. and Mandal, Dipa and Patel, Ketan and Chaudhuri, Krishnaroop and Vinod, C. P. and Lele, Ashish K. and Chikkali, Samir H.} } @article {45386, title = {The Leishmania donovani IMPACT-like protein possesses non-specific nuclease activity}, journal = {International Journal of Biological Macromolecules}, volume = {119}, year = {2018}, month = {NOV}, pages = {962-973}, type = {Article}, abstract = {IMPACT (Imprinted and Ancient)-like proteins are known to be regulators of GCN2 (General control non-derepressible 2) kinases involved in translation regulation. Here, we report on cloning and characterization of an IMPACT-like protein, LdIMPACT from Leishmania donovani which harbours two domains. {\textquoteright}RWD domain{\textquoteright} at the N-terminal end that mediates GCN2 regulation, while a conserved {\textquoteright}ancient domain{\textquoteright} lies at the C-terminal end whose function remains elusive. Interestingly, our observations indicated that LdIMPACT has a novel nonspecific nuclease activity. In silico analysis further revealed the resemblance of ancient domain of LdIMPACT to RNase PH domain (known to bind to nucleic acids). The recombinant LdIMPACT exhibited a Mg2+-dependent nuclease activity. Moreover, thermostability and pH stability assays of the protein suggest it to be a stress responsive protein. Circular dichroism studies elucidated the conformational transitions of the enzyme in response to various temperature and pH conditions which correlated well with the activity profiles. Thus, the current study highlights the structural and functional characteristics of LdIMPACT which interestingly also possesses a novel nuclease activity. With its physiological relevance unresolved, the multifaceted LdIMPACT might therefore lie in a hitherto unknown network, whose perturbation could be an attractive therapeutic approach for treating leishmaniasis. (C) 2018 Elsevier B.V. All rights reserved.}, issn = { 0141-8130}, doi = {10.1016/j.ijbiomac.2018.07.175}, author = {Rao, Shilpa J. and Shukla, Ekta and Bhatia, Varsha and Lohiya, Bharat and Gaikwad, Sushama M. and Kar, Anita and Pal, Jayanta K.} } @article {44353, title = { Lithium hydride as an efficient reagent for the preparation of 1,2-anhydro inositols: does the reaction proceed through {\textquoteright}axial rich{\textquoteright} conformation?}, journal = {Carbohydrate Research}, volume = {463}, year = {2018}, month = {JUL}, pages = {32-36}, type = {Article}, abstract = {scyllo-Inositol derived 1,2-trans-diequatorial halohydrins can be efficiently converted to the corresponding epoxides in the presence of lithium hydride. The structure of one of the epoxides was determined by single crystal X-ray diffraction analysis. This provides a potential route for the preparation of ring modified inositol derivatives. DFT calculations suggest that this epoxide formation could be proceeding through the intermediacy of the cyclohexane ring-inverted axial-rich conformer (1,2-trans-diaxial halohydrin). This is supported by the results of DFT calculations on the formation of inositol orthoformate, where the product is locked in the axial-rich conformation, while the starting inositol has the equatorial-rich conformation.}, doi = {10.1016/j.carres.2018.04.014}, author = {Sarkar, Nitai and Sardessai, Richa S. and Shashidhar, Mysore S. and Tamboli, Majid I. and Gonnade, Rajesh G.} } @article {45360, title = {Machine learning prediction of interaction energies in rigid water clusters}, journal = {Physical Chemistry Chemical Physics }, volume = {20}, year = {2018}, month = {SEP}, pages = {22987-22996}, type = {Article}, abstract = {Classical force fields form a computationally efficient avenue for calculating the energetics of large systems. However, due to the constraints of the underlying analytical form, it is sometimes not accurate enough. Quantum mechanical (QM) methods, although accurate, are computationally prohibitive for large systems. In order to circumvent the bottle-neck of interaction energy estimation of large systems, data driven approaches based on machine learning (ML) have been employed in recent years. In most of these studies, the method of choice is artificial neural networks (ANN). In this work, we have shown an alternative ML method, support vector regression (SVR), that provides comparable accuracy with better computational efficiency. We have further used many body expansion (MBE) along with SVR to predict interaction energies in water clusters (decamers). In the case of dimer and trimer interaction energies, the root mean square errors (RMSEs) of the SVR based scheme are 0.12 kcal mol(-1) and 0.34 kcal mol(-1), respectively. We show that the SVR and MBE based scheme has a RMSE of 2.78\% in the estimation of decamer interaction energy against the parent QM method in a computationally efficient way.}, doi = {10.1039/c8cp03138j}, author = {Bose, Samik and Dhawan, Diksha and Nandi, Sutanu and Sarkar, Ram Rup and Ghosh, Debashree} } @article {45423, title = {Mapping valence band and interface electronic structure changes during the oxidation of Mo to MoO3 via MoO2 and MoO3 reduction to MoO2: A NAPPES study}, journal = {Journal of Physical Chemistry C}, volume = {122}, year = {2018}, month = {OCT}, pages = {23034-23044}, type = {Article}, abstract = {

Tuning the surface energetics, especially work function (phi) of the materials, is of a great deal of interest for a wide range of surface- and interface-based devices and applications. How the phi of a solid surface changes under the reaction conditions is of paramount interest to the chemists, particularly in the areas of surface dependent phenomena such as, catalysis and electrochemistry. In the present study, by using the valence band and core-level photoelectron spectroscopy, surface-electronic changes from Mo to MoO3 via MoO2 was studied under relevant near-ambient pressure (NAP) and high temperature conditions. A very significant change in phi from Mo to MoO3 was observed and it is well corroborated with the changes in gas-phase vibrational features of O-2 in both near-ambient pressure ultraviolet photoelectron spectra (NAPUPS) as well in NAP X-ray photoelectron spectroscopy. Reversible changes in the electronic structure is observed when MoO3 was reduced in H-2 to MoO2. On the basis of the extent of oxidation/reduction of MoOx NAPUPS has shown, one or two additional peaks in the band gap at 0.6 and 1.6 eV below the Fermi level. Mo5+ features are identified in the VB and in the Mo 3d core levels with distinct features. Mo5+ features are also stable and essential to bridge MoO2 and MoO3 layers, and their co-existence. In addition, characteristic changes in Mo 4d and O 2p features observed from Mo to MoO3 and well corelated to the band gap of MoO3. Oxidation and reduction propagate from the surface to bulk; indeed, this has significant implications in surface-dependent phenomena. The present study demonstrates (a) the uniqueness of NAPUPS in identifying the subtle to large changes in the electronic structure on solid surfaces under common oxidation and reduction (in general, under reaction) conditions, and (b) relevance of NAPUPS to all surface dependent phenomena, such as catalysis and electrochemistry.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.8b07024}, author = {Reddy, Kasala Prabhakar and Mhamane, Nitin B. and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S.} } @article {44194, title = {Marginally hydrogenated triphasic titania nanotubes for effective visible-light photocatalytic hydrogen generation}, journal = {Energy Technology}, volume = {6}, year = {2018}, month = {FEB}, pages = {280-288}, type = {Article}, abstract = {

We report the first demonstration of hydrogen-annealed triphase TiO nanotubes (anatase-rutile-brookite) (T-ARB) as a visible-light-active photocatalyst for water splitting with high quantum efficiency. As-synthesized T-ARB was annealed under hydrogen atmosphere at 250 and 4508 degrees C for 2 h. We found that the tubular structures were retained in the hydrogenated TiO2 samples. It was observed that the concentrations of Ti3+ and the oxygen vacancies and their distribution significantly increased with respect to the hydrogen annealing temperature. Such changes in defects were found to be critical in enhancing the photocatalytic activity of the hydrogen-annealed triphase TiO2 nanotubes. The triphase TiO2 nanotubes hydrogen annealed at 450 degrees C were 16 times more efficient than pristine TiO2. Such an increase in the photocatalytic activity was explained by a triphase band diagram with defect states below the conduction band of each phase, which facilitated visible-light activity and easy transfer of charge carriers from one phase to another. Our study showed that the well-designed multiphase construction with oxygen vacancies enhanced the photocatalytic activity tremendously owing to the presence of a higher number of phase junctions.

}, keywords = {charge transfer, Defects, Hydrogenation, titania, water splitting}, issn = {2194-4288}, doi = {10.1002/ente.201700406}, author = {Preethi, Laguduva K. and Mathews, Tom and Walczak, Lukasz and Gopinath, Chinnakonda S.} } @article {44620, title = {Mechanism of nickel(II)-catalyzed C(2)-H alkynylation of indoles with alkynyl bromide}, journal = {Organometallics}, volume = {37}, year = {2018}, month = {JUL}, pages = {2037-2045}, abstract = {

The nickel system (THF)(2)NiBr2/phen has recently been shown as an efficient catalyst for the C-H bond alkynylation of diverse heteroarenes with (triisopropylsilyl)alkynyl bromide via monodentate chelation assistance. Herein, we report an extensive mechanistic investigation for the direct alkynylation of indoles involving the well-defined nickel catalyst, which features a coordinative insertion pathway of alkynyl bromide with the Ni(II) catalyst. Catalytic relevant nickel complexes, (phen)NiCl2 (5), (phen)(2)NiCl2 (6) and [(phen)(3)Ni].NiCl4 (7) were isolated, and the complexes 6 and 7 were structurally characterized. Well-defined complexes were as competent as the in situ generated catalyst system (THF)(2)NiBr2/phen for the alkynylation of indoles. Various controlled studies and reactivity experiments were performed to understand the probable pathway for the alkynylation reaction. Kinetics analysis highlights that the complex (phen)NiX2 acts as a precatalyst, and the involvement of substrate indole and LiO{\textquoteright}Bu are essential for the generation of the active catalyst. Deuterium labeling and kinetic studies suggest that the process involving C-H cleavage and carbo-nickelation of indole is a crucial rate influencing step. Reactivity study of various alkynyl compounds with nickel-species highlights a migratory insertion route for the reaction. DFT calculations firmly support the experimental findings and suggest the coordinative insertion pathway of alkynyl bromide rather than oxidative addition toward the nickel(II) center.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.8b00177}, author = {Khake, Shrikant M. and Jain, Shailja and Patel, Ulhas N. and Gonnade, Rajesh G. and Vanka, Kumar and Punji, Benudhar} } @article {44517, title = {Mechanistic aspects of pincer nickel(II)-catalyzed C-H bond alkylation of azoles with alkyl halides}, journal = {Organometallics}, volume = {37}, year = {2018}, month = {MAR}, pages = {1017-1025}, abstract = {

The quinolinyl-based pincer nickel complex, kappa(N),kappa(N),kappa(N)-{C9H6N-(mu-N)-C6H4-NMe2}NiCl [((NNNMe2)-N-Q)-NiCl; (1)] has recently been demonstrated to be an efficient and robust catalyst for the alkylation of azoles with alkyl halides under copper-free conditions. Herein, we report the detailed mechanistic investigation for the alkylation of azoles catalyzed by ((NNNMe2)-N-Q)NiCl (1), which highlights an iodine atom transfer (IAT) mechanism for the reaction involving a Ni-II/Ni-III process. Deuterium labeling experiments indicate reversible cleavage of the benzothiazole C-H bond, and kinetic studies underline a fractional negative rate order with the substrate benzothiazole. The involvement of an alkyl radical during the alkylation is validated by radical clock and external additive experiments. An active intermediate species ((NNNMe2)-N-Q)Ni(benzothiazolyl) (5a) has been isolated and structurally characterized. The complex ((NNNMe2)-N-Q)Ni(benzothiazoly1) (5a) is found to be the resting state of catalyst 1. Kinetic analysis of electronically different intermediates suggests that the step involving the reaction of 5a with alkyl iodide is crucial and a rate-influencing step. DFT calculations strongly support the experimental findings and corroborate an IAT process for the alkylation reaction.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.8b00025}, author = {Patel, Ulhas N. and Jain, Shailja and Pandey, Dilip K. and Gonnade, Rajesh G. and Vanka, Kumar and Punji, Benudhar} } @article {44520, title = {Mechano-responsive room temperature luminescence variations of boron conjugated pyrene in air}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JUN}, pages = {6028-6031}, abstract = {

Stimuli responsive tunable luminescence is a promising field of research. Even though mechanofluorescence is widely studied, mechanophosphorescence remains unexplored. Here we report the mechano-driven fluorescence and phosphorescence variations of a pyrene tetraboronic ester derivative. The fluorochromic and room temperature phosphorescence features are supported by theoretical studies and single crystal analysis. The mechanically ground fluorescence active but phosphorescence inactive pyrene tetraboronic ester exhibits room temperature phosphorescence in air withmechanical force. The efficient intermolecular electronic coupling in the dimer formed upon scratching enables a good communication between singlet and triplet states, hence resulting in room temperature mechanophosphorescence.

}, issn = {1359-7345}, doi = {10.1039/c8cc03494j}, author = {Wakchaure, Vivek C. and Ranjeesh, Kayaramkodath C. and Goudappagouda and Das, Tamal and Vanka, Kumar and Gonnade, Rajesh and Babu, Sukumaran S.} } @article {44591, title = {"Metal-free{\textquoteright}{\textquoteright} synthesis of 1,2,3-triazoles via tandem azidation, intramolecular [3+2]-cycloaddition and aromatization of ethyl acrylate derivatives}, journal = {Tetrahedron Letters}, volume = {59}, year = {2018}, month = {JUN }, pages = {2365-2367}, abstract = {

An efficient {\textquoteleft}{\textquoteleft}one-pot{\textquoteright}{\textquoteright} method for the synthesis of substituted 1,2,3-triazole derivatives in excellent yields as single regioisomer is reported. The key transformation involves an atom-efficient tandem azidation, intramolecular [3+2]-cycloaddition and aromatization of acrylate derivatives on treatment with NaN3 in DMF under mild conditions. (C) 2018 Elsevier Ltd. All rights reserved.

}, keywords = {Intramolecular cycloaddition, Regioselective, Tandem azidation, triazoles}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2018.05.020}, author = {Kumar, B. Senthil and Gadakh, Sunita and Sudalai, Arumugam} } @article {45364, title = {Metamagnetism in nanosheets of Co-II-MOF with T-N at 26 K and a giant hysteretic effect at 5 K}, journal = {Inorganic Chemistry }, volume = {57}, year = {2018}, month = {DEC}, pages = {15044-15047}, type = {Article}, abstract = {Herein, we have synthesized at room-temperature two-dimensional nanosheets of a MOF comprised of cobalt(II) ion with benzenedicarboxylic acid ligand, which exhibited unusual magnetic properties. Direct-current magnetic susceptibility revealed an anti-ferromagnetic (AFM) transition at 26 K (Neel temperature, T-N) followed by a canting of the spin moments along with the concomitant appearance of a sigmoidal-shaped magnetization versus field (M-H) curve at 15 K. Such a canted AFM ordering led to nonzero remnant magnetization with a remarkably high coercive field of similar to 10 kOe at 5 K. Metamagnetism was further: substantiated by the alternating-current magnetic susceptibility measurements.}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.8b03064}, author = {Gupta, Kriti and Dadwal, Arun and Rana, Shammi and Jha, Plawan Kumar and Jain, Anil and Yusuf, S. M. and Joy, Pattayil A. and Ballav, Nirmalya} } @article {44196, title = {Method for identification of sensitive nodes in boolean models of biological networks}, journal = {IET Systems Biology}, volume = {12}, year = {2018}, month = {FEB}, pages = {1-6}, type = {Article}, abstract = {

Biological systems are often represented as Boolean networks and analysed to identify sensitive nodes which on perturbation disproportionately change a predefined output. There exist different kinds of perturbation methods: perturbation of function, perturbation of state and perturbation in update scheme. Nodes may have defects in interpretation of the inputs from other nodes and calculation of the node output. To simulate these defects and systematically assess their effect on the system output, two new function perturbations, referred to as not of function{\textquoteright} and function of not{\textquoteright}, are introduced. In the former, the inputs are assumed to be correctly interpreted but the output of the update rule is perturbed; and in the latter, each input is perturbed but the correct update rule is applied. These and previously used perturbation methods were applied to two existing Boolean models, namely the human melanogenesis signalling network and the fly segment polarity network. Through mathematical simulations, it was found that these methods successfully identified nodes earlier found to be sensitive using other methods, and were also able to identify sensitive nodes which were previously unreported.

}, keywords = {biological networks, Boolean functions, Boolean models, fly segment polarity network, human melanogenesis signalling network, perturbation methods, Perturbation theory, physiological models}, issn = {1751-8849}, doi = {10.1049/iet-syb.2017.0039}, author = {Dnyane, Pooja A. and Puntambekar, Shraddha S. and Gadgil, Chetan J.} } @article {44594, title = {MiRNA160 is associated with local defense and systemic acquired resistance against Phytophthora infestans infection in potato}, journal = {Journal of Experimental Botany}, volume = {69}, year = {2018}, month = {APR }, pages = {2023-2036}, abstract = {

To combat pathogen infection, plants employ local defenses in infected sites and elicit systemic acquired resistance (SAR) in distant tissues. MicroRNAs have been shown to play a significant role in local defense, but their association with SAR is unknown. In addition, no such studies of the interaction between potato and Phytophthora infestans have been reported. We investigated the role of miR160 in local and SAR responses to P. infestans infection in potato. Expression analysis revealed induced levels of miR160 in both local and systemic leaves of infected wild-type plants. miR160 overexpression and knockdown plants exhibited increased susceptibility to infection, suggesting that miR160 levels equivalent to those of wild-type plants may be necessary for mounting local defense responses. Additionally, miR160 knockdown lines failed to elicit SAR, and grafting assays indicated that miR160 is required in both local and systemic leaves to trigger SAR. Consistently, SAR-associated signals and genes were dysregulated in miR160 knockdown lines. Furthermore, analysis of the expression of defense and auxin pathway genes and direct regulation of StGH3.6, a mediator of salicylic acid-auxin cross-talk, by the miR160 target StARF10 revealed the involvement of miR160 in antagonistic cross-talk between salicylic acid-mediated defense and auxin-mediated growth pathways. Overall, our study demonstrates that miR160 plays a crucial role in local defense and SAR responses during the interaction between potato and P. infestans.

}, keywords = {Auxin-salicylic acid antagonism, microRNA, miR160, Phytophthora infestans, Solanum chacoense, Solanum tuberosum, systemic acquired resistance}, issn = {0022-0957}, doi = {10.1093/jxb/ery025}, author = {Natarajan, Bhavani and Kalsi, Harpreet S. and Godbole, Prajakta and Malankar, Nilam and Thiagarayaselvam, Aarthy and Siddappa, Sundaresha and Thulasiram, Hirekodathakallu V. and Chakrabarti, Swarup K. and Banerjee, Anjan K.} } @article {45399, title = { A new class of N-doped ionic PAHs via intramolecular [4+2]-cycloaddition between arylpyridines and alkynes}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {OCT}, pages = {11909-11912}, type = {Article}, abstract = {Reported herein, for the first time, is a copper-promoted intramolecular [4+2]-cycloaddition cascade to access ionic N-doped polycyclic aromatic hydrocarbons (PAHs) with tunable emission wavelengths. It is shown that the reaction can be made catalytic with respect to Cu(OTf)(2) when an external oxidant, Selectfluor, was used.}, issn = { 1359-7345}, doi = {10.1039/c8cc05743e}, author = {Mule, Ravindra D. and Shaikh, Aslam C. and Gade, Amol B. and Patil, Nitin T.} } @article {45395, title = {New strategy toward a dual functional nanocatalyst at ambient conditions: influence of the Pd-Co interface in the catalytic activity of Pd@Co core-shell nanoparticles}, journal = { ACS Applied Materials \& Interfaces }, volume = {10}, year = {2018}, month = {DEC }, pages = {41268-41278}, type = {Article}, abstract = {

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

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

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

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

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

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

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

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b01482}, author = {Gelat, Fabien and Patra, Atanu and Pannecoucke, Xavier and Biju, Akkattu T. and Poisson, Thomas and Besset, Tatiana} } @article {44540, title = {One-dimensional porphyrin-fullerene (C60) assemblies: role of central metal ion in enhancing ambipolar mobility}, journal = {Chemistry - A European Journal }, volume = {24}, year = {2018}, month = {MAR}, abstract = {One-dimensional (1D) nanostructures of -conjugated molecules exhibiting excellent charge carrier mobilities have found much interest in organic electronic devices. Even though it is tedious to form such structures, the availability of highly delocalized electron and hole carriers in these donor (D)-acceptor (A) co-assemblies realize ambipolar charge transport. Here we report the successful demonstration of a simple solution casting method to create ambipolar donor-acceptor single crystalline assembly. 1D assemblies of 5,10,15,20-tetraphenylporphyrins (H2TPP, ZnTPP) and fullerene (C60) exhibit high ambipolar mobility in the range of 0.8-3.4 cm2/Vs for electrons and holes with high ON/OFF ratio and low threshold voltage. A direct experimental proof for the pivotal role of central Zn2+ in tetraphenyl porphyrin, which enables a strong D-A charge transfer interaction in the cocrystal and thereby induces electron (1.35 cm2/Vs), hole (3.42 cm2/Vs) mobilities, the highest reported for two component D-A assemblies using solution casting, is demonstrated.}, doi = {10.1002/chem.201800197}, author = {Goudappagouda and Gedda, Murali and Kulkarni, Giridhar U. and Sukumaran, Santhosh Babu} } @article {45353, title = { Organic phase transmetallation approach for synthesis of hollow Ni-Au nanocomposites with tunable cavity size}, journal = {New Journal Of Chemistry}, volume = {42}, year = {2018}, month = {DEC}, pages = { 19615-19624}, type = {Article }, abstract = {

Ni-Au nanocomposites in the form of hollow spheres with controlled cavity size have been successfully synthesized by the transmetallation reaction between hydrophobized Ni nanoparticles and hydrophobized Au precursors. This can be considered as a fairly unique synthesis strategy that does not require any additional external reductants. The synthesis is carried out in a nonpolar solvent and precise tuning of the cavity size has been achieved only by varying the ratio of the two reacting components. A detailed characterization has been performed via UV-vis spectroscopy, XPS, TEM, EDAX, and SEM. The mechanistic aspect is established from FTIR. SQUID-VSM confirmed the magnificent superparamagnetism of the nanocomposites.

}, issn = {1144-0546}, doi = {10.1039/c8nj03668c}, author = {Sardar, Debasmita and Ahmed, Md Azaharuddin and Bandyopadhyay, Sudipta and Ghosalya, Manoj Kumar and Bala, Tanushree} } @article {45473, title = {Organocatalytic asymmetric cascade reaction of gamma-substituted deconjugated butenolides with o-formyl-beta-nitrostyrene}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {JUL}, pages = {8189-8192}, type = {Article}, abstract = {

An efficient chemo-, diastereo- and enantio-selective cascade synthesis of functionalized indanols bearing four contiguous stereogenic centres has been developed via the reaction of beta,gamma-butenolides with o-formyl-beta-nitrostyrenes in the presence of bi-functional hydrogen-bonding catalyst. Indanol derivatives containing gamma,gamma-disubstituted butenolides were obtained in good yields and with moderate to high enantioselectivities/diastereoselectivities.

}, keywords = {butenolides, Cascade reaction, Enantioselectivity, Indanol, organocatalysis}, issn = {2365-6549}, doi = {10.1002/slct.201801467}, author = {Deepake, Siddharth K. and Lanjewar, Atul B. and Thatikonda, Thanusha and Gonnade, Rajesh G. and Das, Utpal} } @article {44546, title = {Patho-physiological evaluation of Duranta erecta for the treatment of urolithiasis}, journal = {Journal of Ayurveda and integrative medicine}, year = {2018}, month = {MAY}, abstract = {

Background: Urolithiasis is the third common disorder of the urinary system affecting 10-15\% of the general population. In recent years, search for new antilithiatic drugs from natural sources has assumed greater importance. Objectives: This study was performed to investigate the anti-urolithiatic activity of methanolic extract of Duranta erecta leaves by in vitro and in vivo analysis. Materials and methods: The study was designed to determine presence of phytochemicals in D. erecta, its yield in percentage, antioxidant activity against 2, 2-diphenyl-1-picrylhydrazyl (DPPH) and anti-microbial property against few bacteria. In vitro analysis was carried out study anti-urolithiatic property of D. erecta by nucleation assay and synthetic urine assay for inhibition of calcium oxalate and calcium oxalate monohydrate crystals formation. An in vivo experiment was performed on Wistar rats for confirmation of anti-urolithiatic property of D. erecta in animal model. Results: D. erecta has the presence of primary and secondary metabolites like glycoside, saponins, sterols, flavonoids, phenols, tannins, alkaloids, carbohydrates and proteins. Methanolic extract of D. erecta gave a very good yield (60\%). D. erecta proved its antioxidant potential by 93.51\% inhibition of DPPH radical at a concentration of 1000 μg/mL where ascorbic showed 94.71\% of DPPH radical at the same concentration. In vitro tests like nucleation assay and synthetic urine assay showed that D. erecta inhibits formation of calcium oxalate and calcium oxalate monohydrate crystals. It also showed the anti-microbial property by formation of zone of inhibition against few bacteria. An in vivo experiment on Wistar rat animal model confirmed the anti-urolithiatic property of D. erecta L. leaves extract. Conclusions: Based on the results, we reported that D. erecta may treat calcium oxalate crystal deposition in the kidney by preventing hyperoxaluria-induced peroxidative damage to the renal tubular membrane surface (lipid peroxidation). It has anti-microbial potential so it may also inhibit the secondary bacterial infection in kidney. Based on the data, it can be concluded that this herb can be used as a potential anti-urolithiasis agent for kidney stone removal.

}, doi = { 10.1016/j.jaim.2017.08.001}, author = {Agawane, S. B. and Gupta, V. S. and Kulkarni, Mahesh J. and Bhattacharya, A. K. and Koratkar, Santosh and Rao, Vankudoth Koteswara} } @article {45375, title = { Pharmaceutical standardization and physicochemical characterization of traditional ayurvedic marine drug: incinerated conch shell (shankha bhasma)}, journal = {Marine Drugs}, volume = {16}, year = {2018}, month = {NOV}, type = {Article}, abstract = {Natural resources such as plants, animals and minerals have always been used by mankind to develop drugs and marine world is no exception. Marine by-products like conches, pearls, mother of pearl shells, corals and so forth have been used by traditional Ayurvedic practitioners for centuries. The unique methods of these preparations are scientifically designed to eliminate unwanted impurities and convert them into bioavailable form. In this study, Conch (Xanchus pyrum) was used as a marine resource of calcium carbonate and was converted pharmaceutically from its aragonite form to calcite. All the steps of preparations and changes in the properties therein were documented and validated. Further, traditional as well as modern analytical tools were used to study its physical and chemical characters to develop a monograph. The physical characterization included particle size, X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Thermogravimetric Analysis (TGA) and Fourier Transform Infra-red (FTIR). Metal composition and heavy metal limits were determined using Inductively Coupled Plasma Optical Emission Spectrometry (ICPOES). This study revealed the rearrangement of aragonite crystals into calcite form by grinding, trituration with aloe vera juice and incineration under controlled conditions. Moreover, the finished product was found to be devoid of organic matrix that is nacre. This study creates a foundation for the development of a master formula for commonly used Shankha Bhasma in Ayurvedic medicines.}, issn = { 1660-3397}, doi = { 10.3390/md16110450}, author = {Chavan, Sandeep and Tayade, Sonali and Gupta, Vidya and Deshmukh, Vineeta and Sardeshmukh, Sadanand} } @article {45387, title = {Pioglitazone inhibits advanced glycation induced protein modifications and down-regulates expression of RAGE and NF-kappa B in renal cells}, journal = {International Journal of Biological Macromolecules}, volume = {119}, year = {2018}, month = {NOV}, pages = {1154-1163}, type = {Article}, abstract = {The present work aims to determine the effect of pioglitazone on in-vitro albumin glycation and AGE-RAGE induced oxidative stress and inflammation. Bovine serum albumin was glycated by methylglyoxal in absence or presence of pioglitazone. Glycation markers (fructosamine, carbonyl groups, (l-amyloid aggregation, thiol groups, bilirubin binding capacity and AOPP); protein conformational changes (native-PAGE and HPLC analysis) were determined. Cellular study was done by estimating antioxidants, ROS levels, expression profile of membrane RAGE, NF-kappa B and levels of inflammatory cytokines (IL-6, TNF-alpha) using HEK-293 cell line. We observed that levels of glycation markers were reduced at higher concentration of pioglitazone as compared to glycated albumin. Structural analysis of glycated albumin showed inhibition of protein migration and structural changes when treated with pioglitazone. Pioglitazone has potentially restored cellular antioxidants and reduced levels of IL-6 and TNF-alpha by declining expression of membrane RAGE and NF-kappa B. In conclusion, pioglitazone preferentially binds to protein and alleviates protein structural changes by maintaining its integrity. Additionally, it suppresses RAGE and NF-kappa B levels hence alleviate cellular oxidative stress and inflammation. (C) 2018 Elsevier B.V. All rights reserved.}, issn = {0141-8130}, doi = { 10.1016/j.ijbiomac.2018.08.026}, author = {Adeshara, Krishna A. and Agrawal, Sanskruthi B. and Gaikwad, Sushama M. and Tupe, Rashmi S.} } @article {44348, title = {Polycrystalline MnGe2 thin films on InAs(001) substrates}, journal = {Thin Solid Films}, volume = {657}, year = {2018}, month = {JUL}, pages = {38-41}, type = {Article}, abstract = {We report on the growth of MnGe2 thin films on InAs(001) substrates using radio frequency-magnetron cosputtering. Polycrystalline thin films were obtained at a substrate temperature of 353 K. X-ray diffractometry was used to identify the tetragonal MnGe2 phase (space group 14/mcm). Measurements of the magnetic field and temperature dependence of the magnetization revealed that the MnGe2 thin films are ferromagnetic with a magnetization of 280 kAm(-1) and a Curie temperature of 62 K. Additionally, an antiferromagnetic component is observed at low temperatures, which may arise atomic disorder at the grain boundaries between MnGe2 crystallites.}, doi = {10.1016/j.tsf.2018.05.007}, author = {Gutierrez-Naranjo, David and Holguin-Momaca, Jose T. and Solis-Canto, Oscar O. and Gupta, Preeti and Poddar, Pankaj and Espinosa Magana, Francisco and Olive-Mendez, Sion F.} } @article {44552, title = {Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. Part 2: Application to the analysis of calcitonin containing pharmaceutical formulation}, journal = {Electrochimica Acta}, volume = {266}, year = {2018}, month = {MAR }, pages = {364-372}, abstract = {

In part 1 (A. Vasilescu et al., Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. Part 1: Lysozyme aggregation at pH 2 and 7.4 Electrochem. Acta, 254 (2017) 375 -383) we proposed porous reduced graphene oxide coated glassy carbon electrode (GC/prGO) in combination with differential pulse voltammetry as a new analytical tool for aggregation studies of proteins. Lysozyme was used as a model to follow its aggregation by electrochemical means at pH 2 and pH 7.4, leading to the formation of amyloid and amorphous aggregates, respectively. Part 2 of this work widens the scope of this approach by investigating a biopharmaceutical product, as the aggregation of peptide based drugs affects their therapeutic activity and can induce allergic reactions in patients. The salmon polypeptide calcitonin (sCT) was chosen as an example of a bioactive peptide with limited pharmaceutical potential due to a tendency to form cytotoxic aggregates and amyloid fibrils. For practical applications, screen printed electrodes (SPE) and flexible electrodes (FE) modified with polydiallyldimethylammonium (PDDA) and prGO by using the layer-by-layer deposition technique have been developed for the detection of sCT. The results indicate that these electrodes can differentiate between formation of amyloid aggregates of calcitonin (2 mg mL(-1)) in citrate buffer to no aggregation in acetate buffer. It was further demonstrated that these electrodes are able to analyze a pharmaceutical drug product of low potency, Miacalcic (8.3 mu g mL(-1)), where no aggregation was observed. (C) 2018 Elsevier Ltd. All rights reserved.

}, keywords = {Calcitonin, Disposable electrodes, Electrochemistry, Porous reduced graphene oxide, Protein aggregation}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.02.038}, author = {Vasilescu, Alina and Ye, Ran and Boulahneche, Samia and Lamraoui, Sabrina and Jijie, Roxana and Medjram, Mohamed Salah and Gaspar, Szilveszter and Singh, Santosh K. and Kurungot, Sreekumar and Melinte, Sorin and Boukherroub, Rabah and Szunerits, Sabine} } @article {45409, title = { Process intensification strategies for enhanced holocellulose solubilization: Beneficiation of pineapple peel waste for cleaner butanol production}, journal = {Journal of Cleaner Production}, volume = {199}, year = {2018}, month = {OCT}, pages = {937-947}, type = {Article}, abstract = {Biorefinery sector has become a serious dispute for cleaner and sustainable development in recent years. In the present study, pretreatment of pineapple peel waste was carried out in high pressure reactor using various pretreatment-enhancers. The type and concentration effect of each enhancer on hemicellulose solubilization was systematically investigated. The binary acid (phenol + sulfuric acid) at 180 degrees C was found to be superior amongst other studied enhancers, giving 81.17\% (w/v) hemicellulose solubilization in liquid-fraction under optimized conditions. Solid residue thus obtained was subjected to enzymatic hydrolysis that resulted into 24.50\% (w/v) cellulose breakdown. Treated solid residue was further characterized by scanning electron microscopy and fourier transform infrared spectroscopy to elucidate structural changes. The pooled fractions (acid treated and enzymatically hydrolyzed) were fermented using Clostridium acetobutylicum NRRL B 527 which resulted in butanol production of 5.18 g/L with yield of 0.13 g butanol/g sugar consumed. Therefore, pretreatment of pineapple peel waste evaluated in this study can be considered as milestone in utilization of low cost feedstock, for bioenergy production. (C) 2018 Elsevier Ltd. All rights reserved.}, issn = { 0959-6526}, doi = { 10.1016/j.jclepro.2018.07.205}, author = {Khedkar, Manisha A. and Nimbalkar, Pranhita R. and Kamble, Sanjay P. and Gaikwad, Shashank G. and Chavan, Prakash V. and Bankar, Sandip B.} } @article {44215, title = {Pt - g-C3N4 - (Au/TiO2): electronically integrated nanocomposite for solar hydrogen generation}, journal = {International Journal of Hydrogen Energy}, volume = {43}, year = {2018}, month = {JAN}, pages = {601-613}, type = {Article}, abstract = {

A potential nanocomposite photocatalyst was designed by integrating Pt nanoclusters (co catalyst and electron sink) with graphitic carbon nitride (g-C3N4 (gcn)) (charge diffusion) and 0.5 wt \% Au containing Au-TiO2 (AuT) (plasmonic on semiconductor) for solar water splitting (SWS). Variety of Pt-gcn-AuTiO2 compositions has been evaluated for SWS under one sun conditions. Complexity of the photocatalyst was increased systematically from Au-TiO2, gcn-TiO2 to Pt-gcn-Au-TiO2 to explore the influence of different combinations. Electronic integration of charge separation/diffusion component (gcn) with light absorbing sensitizer components (Au and gcn), and co-catalyst (Pt) seems to be the critical factor to improve hydrogen yield (HY) or overall efficiency. Although addition of gcn increase the HY of composites, there is no SWS activity observed on bare TiO2 or gcn. Au or Pt on gcn enhances the charge separation effectively and interface between Au and/or Pt with gcn works as the Schottky barrier. A monodispersion of Au over TiO2 and Pt nanoclusters over gcn/AuTiO2 composite lead to the maximum solar hydrogen yield (1.52 mmol/h g) with an apparent quantum yield (AQY) of 7.5\%. Photoelectron and photoluminescence spectral studies confirm the electron transfer from Au to gcn, and Au and/or gcn to titania. A thorough physico-chemical investigation of various composites underscores the electronic integration aspects of the nanocomposite towards storage of electrons in the Pt co-catalyst and hence an effective charge separation and an increase in AQY. (C) 2017 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Electronic integration, Photocatalysis, Schottky barrier, Solar hydrogen, water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2017.11.057}, author = {Devaraji, Perumal and Gopinath, Chinnakonda S.} } @article {44373, title = {Rationally designed self-standing V2O5 electrode for high voltage non-aqueous all-solid-state symmetric (2.0 V) and asymmetric (2.8 V) supercapacitors}, journal = {Nanoscale}, volume = {10}, year = {2018}, month = {MAY}, pages = {8741-8751}, abstract = {The maximum capacitive potential window of certain pseudocapacitive materials cannot be accessed in aqueous electrolytes owing to the low dissociation potential of 1.2 V possessed by water molecules. However, the inferior pseudocapacitance exhibited by the commonly used electrode materials when integrated with non-aqueous electrolytes still remains a challenge in the development of supercapacitors (SC). Proper selection of materials for the electrode and a rational design process are indeed important to overcome these practical intricacies so that such systems can perform well with non-aqueous electrolytes. We address this challenge by fabricating a prototype all-solid-state device designed with high-capacitive V2O5 as the electrode material along with a Li-ion conducting organic electrolyte. V2O5 is synthesized on a pre-treated carbon-fibre paper by adopting an electrochemical deposition technique that effects an improved contact resistance. A judicious electrode preparation strategy makes it possible to overcome the constraints of the low ionic and electrical conductivities imposed by the electrolyte and electrode material, respectively. The device, assembled in a symmetrical fashion, achieves a high specific capacitance of 406 F g(-1) (at 1 A g(-1)). The profitable aspect of using an organic electrolyte is also demonstrated with an asymmetric configuration by using activated carbon as the positive and V2O5 as the negative electrode materials, respectively. The asymmetric device displays a wide working-voltage window of 2.8 V and delivers a high energy density of 102.68 W h kg(-1) at a power density of 1.49 kW kg(-1). Moreover, the low equivalent series resistance of 9.9 Omega and negligible charge transfer resistance are observed in the impedance spectra, which is a key factor that accounts for such an exemplary performance.}, doi = {10.1039/c8nr00805a}, author = {Ghosh, Meena and Vijayakumar, Vidyanand and Soni, Roby and Kurungot, Sreekumar} } @article {44562, title = {Reversible phase transformation phenomenon in titanium dioxide films: evidence beyond interface-nucleation and dissolution-precipitation kinetics}, journal = {Acta Materialia}, volume = {146}, year = {2018}, month = {MAR}, pages = {253-264}, abstract = {

The re-crystallization kinetics and rutile to anatase reversible phase transformation (PT) in nano crystalline titanium dioxide (TiO2) are reported. Initially, an amorphous TiO2 film is used for the present study and in situ isothermal annealing dependent nucleation and growth kinetics of anatase and rutile phase is studied at low temperature (similar to 523 K) and well explained using Johnson Mehl AvramiKolmogorov (JMAK) model. The anatase nanocrystallite (NCs) transformation into rutile phase is reported with isothermal annealing for longer time and temperature dependent annealing in lower temperature range 523 K-673 K and explained using interface-nucleation mechanism. Furthermore, the thermodynamic stability of rutile NCs and lattice stress-induced reversible PT in nano-sized rutile TiO2 are confirmed in moderate temperature range (623 K- 973 K) and well explained using x-ray diffraction, micro-Raman spectroscopy and near edge x-ray absorption fine structure spectroscopy studies. However, annealing at higher temperature (1123 K- 1323 K) induces the growth of anatase NCs and their natural transform into rutile phase are explained by well-known dissolution precipitation mechanism. Activation energy of rutile PT is quantified and found higher for dissolution-precipitation mechanism than that for interface nucleation at earlier stage. Thus, overall PT kinetics at different temperature range is well understood by invoking in three step mechanism: 1) early stage anatase-to-rutile transformation is dominated by interface-nucleation, II) then intermediate stage reversible rutile-to-anatase PT and, Ill) at later stages, anatase-to-rutile PT is controlled by dissolution precipitation mechanism. (C) 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Dissolution-precipitation kinetics, Interface-nucleation mechanism, Johnson-Mehl-Avrami-Kolmogorov (JMAK) approach, Reversible phase transformation}, issn = {1359-6454}, doi = {10.1016/j.actamat.2017.12.050}, author = {Gautam, Subodh K. and Singh, Jitendra and Shukla, D. K. and Pippel, E. and Poddar, P. and Singh, Fouran} } @article {44565, title = {Role of palladium crystallite size on CO oxidation over CeZrO 4-δ supported Pd catalysts}, journal = {Journal of Molecular Catalysis }, volume = {455}, year = {2018}, month = {AUG}, abstract = {Photodeposited palladium on nanocrystalline CeZrO 4-δ support was evaluated for CO oxidation, as a function of particle size and pre-treatment. All the catalysts were well characterized by XRD, SEM, EDX, TEM, CO chemi-sorption and Raman spectroscopy. It was observed that change in photodeposition time alters the average crystallite size of Pd, and the same was confirmed by CO chemisorption. 7 nm average crystallite size of Pd exhibited excellent catalytic activity for CO oxidation. In order to understand the effect of support and metal-support interaction, 1 wt\% Pd was deposited deliberately onto reduced and oxidized CeZrO 4-δ support. The reduced support with anionic vacancies and more Ce 3+ species exhibited an improvement in CO oxidation at onset temperature. Detailed analysis shows that Pd-deposition occurs preferentially at oxygen-vacancy sites and subsequent metal-support interaction influences the catalysis.}, doi = {10.1016/j.mcat.2018.05.021}, author = {Burange, Anand S. and Reddy, Kasala Prabhakr and Gopinath, Chinnakonda and Shukla, Rakesh and Tyagi, Avesh K.} } @article {44206, title = {Role of surface ligands in determining the electronic properties of quantum dot solids and their impact on photovoltaic figure of merits}, journal = {Nanoscale}, volume = {10}, year = {2018}, month = {JAN}, pages = {1072-1080}, type = {Article}, abstract = {

Surface chemistry plays a crucial role in determining the electronic properties of quantum dot solids and may well be the key to mitigate loss processes involved in quantum dot solar cells. Surface ligands help to maintain the shape and size of the individual dots in solid films, to preserve the clean energy band gap of the individual particles and to control charge carrier conduction across solid films, in turn regulating their performance in photovoltaic applications. In this report, we show that the changes in size, shape and functional groups of small chain organic ligands enable us to modulate mobility, dielectric constant and carrier doping density of lead sulfide quantum dot solids. Furthermore, we correlate these results with performance, stability and recombination processes in the respective photovoltaic devices. Our results highlight the critical role of surface chemistry in the electronic properties of quantum dots. The role of the size, functionality and the surface coverage of the ligands in determining charge transport properties and the stability of quantum dot solids have been discussed. Our findings, when applied in designing new ligands with higher mobility and improved passivation of quantum dot solids, can have important implications for the development of high-performance quantum dot solar cells.

}, issn = {2040-3364}, doi = {10.1039/c7nr06116a}, author = {Goswami, Prasenjit N. and Mandal, Debranjan and Rath, Arup K.} } @article {44216, title = {Role of the (104) MgCl2 lateral cut in ziegler-natta catalysis: a computational investigation}, journal = {Journal of Physical Chemistry C}, volume = {122}, year = {2018}, month = {JAN}, pages = {285-296}, type = {Article}, abstract = {

Density functional theory (DFT) has been used for the study of ethylene polymerization in the Ziegler-Natta (ZN) olefin polymerization system for eight different alkoxy group containing titanium catalysts (Cat-A-h), Ti(III)Et(OR)(OR{\textquoteright}) (where R =-CH3,-Et,-tert-butyl, cyclohexane, R{\textquoteright} = CH3,-Et,-tert-butyl, cyclohexane). What is of significance is that the catalysts studied were all considered to be tethered to the (104) MgCl2 surface, which has traditionally been considered a {\textquoteleft}{\textquoteleft}dormant{\textquoteright}{\textquoteright} surface in Z-N catalysis systems, in contrast to the {\textquoteleft}{\textquoteleft}more active{\textquoteright}{\textquoteright} (110) MgCl2 surface. Our calculations indicate that the binding of all the catalysts to the (104) surface is favorable, even after taking entropic effects into account. For purposes of comparison, ethylene polymerization has been investigated for the Cat-C (TiEt(OEt)(2)) and the Cat-H (TiEt(CI)(OC4H8Cl)) (OC4H8Cl = the chlorobutoxy group) cases, for both the (i) (110) and the (ii) (104) MgCl2 surfaces. It has been seen that for both (i) and (ii)-the energy gap between insertion and the termination barriers (Delta X) was nearly the same for both the Cat-C and Cat-H eases, which shows that ethylene polymerization on the (104)MgCl2 surface is likely to be a ptoininent occurrence in Z-N catalysis, when alkoxy groups are bound to the titanium center. Additionally, for the Cat-C and the Cat-H cases, the regio-and stereoselective behavior of the propylene monomer on the titanium species present on the (110) and the (104) MgCl2 surfaces has also been investigated, and the results indicate that the (104) MgCl2 surface is only slightly less effective than the (110. However, the calculations also indicate that for Cat-H the (104) MgCl2 surface significantly improves the molecular weight of polypropylene in comparison to the (110) surface, further showcasing how the (104) surface (ignored until date) might be a major player in ZN catalysis. Given that a major portion of the MgCl2 support is made up of (104) lateral cuts, the current findings are of considerable relevance.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b07893}, author = {Kumawat, Jugal and Gupta, Virendra Kumar and Vanka, Kumar} } @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 {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 {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 {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 {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 {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 {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 {44628, title = {Studies on CL-20/HMX (2:1) cocrystal: a new preparation method and structural and thermokinetic analysis}, journal = {Crystal Growth \& Design}, volume = {18}, year = {2018}, month = {JUL}, pages = {3781-3793}, abstract = {

A new preparation method for CL-20/HMX (2:1) cocrystal has been established at the laboratory level that is amenable for scale up. Solvent evaporation from a saturated solution of the stoichiometric mixture in the presence of a high boiling antisolvent, comparatively a very efficient and cheaper method, yielded pure cocrystals. Cocrystals were well characterized by spectroscopic, thermoanalytical tools, X-ray diffraction, and microscopic techniques. A correlation of percentage of cocrystal formation with evaporation rate has been obtained through quantitative analysis using Raman spectrometry. An evaporation rate of \<1 mL/min consistently produced pure cocrystal confirmed by Raman and powder X-ray diffraction analysis. Thermokinetic analysis suggests the cocrystal to be more stable than CL-20 with an energy of activation of 65 kcal/mol, higher than CL-20 but inferior to HMX. Significant augmentation in the values of k and A over CL-20 justified a faster decomposition rate. Enhanced insensitivity toward friction and impact forces and higher measured velocity of detonation indicate improved performance on incorporation into high explosive formulations.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.8b00015}, author = {Ghosh, Mrinal and Sikder, Arun K. and Banerjee, Shaibal and Gonnade, Rajesh G.} } @article {44542, title = {Substituent-induced deformed ni{\textendash}porphyrin as an electrocatalyst for the electrochemical conversion of water into dioxygen}, journal = {European Journal of Inorganic Chemistry}, volume = {14}, year = {2018}, month = {APR}, pages = {1549-1555}, type = {Article}, abstract = {

The electrochemical water oxidation ability of complexes 5,15-diphenylporphinatonickel(II) (A) and 5,15-bis(3,5-di-tert-butylphenyl)porphinatonickel(II) (B) in the oxygen evolution reaction (OER) have been investigated in an alkaline medium. Complex B was found to be kinetically and thermodynamically more active than complex A. The overpotential and Tafel slope of complex B are lower than those of complex A by 30 mV and around 45 mV/decade, respectively, which supports the higher activity of B. Moreover, stability tests endorse the sustainability of both samples under alkaline conditions. It has been found that the 3,5-di-tert-butylphenyl substituent in B plays a decisive role in achieving a better OER onset potential and current than that obtained with A, which is a result of the modulation of the structural parameters of B. Furthermore, the measured OER activities of A and B have been correlated with their molecular arrangement as well as differences in their bonding characteristics and dipole moments. For further insight, the obtained results have been confirmed by a theoretical study.

}, issn = {14341948}, doi = {10.1002/ejic.201701427}, author = {Krishna, J. V. S. and Krishna, Narra Vamsi and Singh, Santosh K. and Shaw, Pankaj K. and Dhavale, Vishal M. and Vardhaman, Anil Kumar and Giribabu, Lingamallu} } @article {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 {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 {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 {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 {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 {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 {45382, title = {Tau protein squired by molecular chaperones during alzheimer{\textquoteright}s disease}, journal = {Journal of Molecular Neuroscience}, volume = {66}, year = {2018}, month = {NOV}, pages = { 356-368}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is a neurodegenerative disorder characterized by progressive neuronal loss, caused by misfolding and accumulation of tau and Amyloid -42. Cellular mechanisms involving phosphatases, chaperones, ubiquitin proteasome system (UPS) and aggresomes solubilize or remove these toxic aggregates. Chaperones such as Hsp70 and Hsp90 functions in folding tau to its native form or in the downstream degrade and eliminated tau from the cell. Chaperones are involved in lysosomal degradation of tau by a process called chaperone mediated autophagy (CMA). In pathological conditions, chaperones fail to remove the toxic tau species, leading to their accumulation. In this scenario, inhibiting the chaperone activity would aid in overcoming AD. Small molecules inhibitors against chaperone activity are known to be effective in the clearance of aberrant tau from cell. In this review, the aspects of inhibition and prevention of tau aggregates formation are discussed in terms of chaperone activity and their small molecule modulators.

}, issn = { 0895-8696}, doi = { 10.1007/s12031-018-1174-3}, author = {Gorantla, Nalini Vijay and Chinnathambi, Subashchandrabose} } @article {44488, title = {Temperature and pressure dependent Raman spectroscopy of plasma treated multilayer graphene nanosheets}, journal = {Diamond and Related Materials}, volume = {84}, year = {2018}, month = {APR }, pages = {146-156}, type = {Journal Article}, abstract = {

Understanding of the fine structure at the atomic level and properties of graphene by creating defects is important from the point of view of thermal and stress management. Here we report Raman spectroscopic studies on pristine and plasma treated multilayer graphene to explore the remarkable structure and phonon properties with temperature and pressure. Temperature dependent studies illustrate monotonic softening of G and G' bands in the temperature range 78 to 573 K. This process can be of fundamental importance in other promising and emerging nano and heterostructured materials. The pressure dependent Raman spectroscopic investigations on G-band of these samples were carried out up to 25 GPa using a diamond anvil cell. Comparatively weak and more compressible nature of the G band (E2g in-plane mode) as a function of applied pressure is found in plasma treated graphene. After pressure release, the samples recover to their original ordered structure. The present study is important for further understanding of the fine structure, properties and effect of defects in graphene, which can affect the atomic bonds, thermal expansion, specific heat, and thermal conductivity as well.

}, keywords = {graphene, high pressure, Phonon, Plasma treated graphene, Raman spectroscopy}, issn = {9259635}, doi = {10.1016/j.diamond.2018.03.021}, author = {Pawbake, Amit S. and Mishra, K. K. and Machuno, Luis G. B. and Gelamo, Rogerio V. and Ravindranathan, T. R. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article {45349, title = {Three-dimensional metal-organic polymer of multivalent hexaphenylbenzene}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {DEC}, pages = {13712-13715}, type = {Article}, abstract = {

Metal-Organic Frameworks(MOFs) synthesized from ligands more than ten co-ordinating sites may offer material applications due to their structural architecture. Herein, a synthesis of metal-organic framework is reported from a ligand featuring 12-aryl carboxylic acid groups appended on a hexaphenylbenzene and s-block element potassium. The synthesized MOF was characterized by thermogravimetric analysis, infrared spectroscopy and X-diffraction studies. The X-ray crystal structure of MOF was shown to have a significant number of trapped and coordinated water molecules in its three-dimensional framework.

}, doi = {10.1002/slct.201802797}, author = {Madhu, Suresh and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {44179, title = {To form layer by layer composite film in view of its application as supercapacitor electrode by exploiting the techniques of thin films formation just around the corner}, journal = {Electrochimica Acta}, volume = {265}, year = {2018}, month = {MAR }, pages = {556-568}, type = {Article}, abstract = {A method is described to form robust composite supercapacitor electrodes consisting of polyaniline (PANI)-graphene (GNS) and PANI-MoS2 nanosheets wherein composites are formed by Layer by Layer (LbL) deposition. PANI layer consisting of 10-15 nm particle size was formed by LLIRT, while GNS and MoS2 layers were formed by modified LLIRT. A special feature of the development is the architecture which is rarely found in the literature wherein singular components are stacked over each other to form a composite. The architecture is found to show strong synergistic effects suitable for high performance supercapacitor applications. The composites were characterized by using X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM) etc. The characterization indicates the formation of composites having uniform distribution of PANI nanoparticles over the 2D nanosheets of GNS and MoS2 respectively. The electrochemical performance of the composites was evaluated by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and Galvanostatic Charge Discharge (GCD). The composite layer consisting of PANI-GNS alternate layers, showed an excellent specific capacitance (C-sp) of 549 Fg(-1) while PANI-MoS2 alternate layers and PANI layers showed C-sp to be (413 F g(-1)) and (185 F g(-1)) respectively. It is proposed that C-sp stability of the composites is greatly enhanced by the architecture of composite formation through LbL deposition approach. PANI-GNS showed high stability (95\% retention of C-sp), PANI-MoS2 (94\% retention of C-sp) as against single component capacitance of PANI (67\% retention of C-sp). The results reveal the importance of the architecture of composite formation. The architecture of depositing alternate layers of components to form a composite would have special properties leading to synergistic effect in the applications. The present communication is a proof of this concept. It shows the boost in the charge storage resulting in stable robust supercapacitors formation. We predict similar advantages in other applications such as solar energy conversion, sensors, catalysis, etc. (C) 2018 Elsevier Ltd. All rights reserved.}, keywords = {GNS, Layer-by-Layer deposition, MoS2 nanosheets, polyaniline, Supercapacitors}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.01.165}, author = {Patil, Sagar H. and Gaikwad, Aarti P. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article {45485, title = {Total synthesis and biological evaluation of cell adhesion inhibitors peribysin A and B: structural revision of peribysin B}, journal = {Organic letters }, volume = { 20}, year = {2018}, month = {NOV}, pages = {7003-7006}, type = {Article }, abstract = {Total synthesis of potent cell-adhesion inhibitors peribysins A and B has been accomplished for the first time in racemic form. A Diels-Alder/aldol sequence to build the skeleton and decoration of the desired functionalities of the targeted natural products using highly stereoselective operations are the highlights. The structures of synthesized peribysins were fully characterized using spectral data and single-crystal X-ray analysis. Through this total synthesis, the initially proposed structure of peribysin B has been revised. Furthermore, the cell-adhesion inhibition potential of the scaffold (two peribysins + three analogues) was confirmed using anti-adhesion assay.}, issn = {1523-7060}, doi = { 10.1021/acs.orglett.8b02838}, author = {Kalmode, Hanuman P. and Handore, Kishor L. and Rajput, Raveena and Shaikh, Samir R. and Gonnade, Rajesh G. and Kulkarni, Kiran A. and Reddy, D. Srinivasa} } @article {44468, title = {Transition metal free regio-selective C{\textendash}H hydroxylation of chromanones towards the synthesis of hydroxyl-chromanones using PhI(OAc)2 as the oxidant}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {FEB}, pages = {2252-2255}, type = {Journal Article}, abstract = {

The chromanone scaffold is considered as a privileged structure in drug discovery. Herein, we report a highly efficient PhI(OAc)2 mediated regioselective, direct C{\textendash}H hydroxylation of chromanones. This method offers easy access to substituted 6-hydroxy chromanones in moderate to good isolated yields, thus paving the way for their pharmaceutical studies.

}, issn = {13597345}, doi = {10.1039/C7CC08588E}, author = {Viswanadh, N.}, editor = {Ghotekar, Ganesh S.} } @article {44463, title = {Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera}, journal = {Insect Biochemistry and Molecular Biology }, volume = {95}, year = {2018}, month = {APR }, pages = {17-25}, type = {Journal Article}, abstract = {

Potato type II protease inhibitors (Pin-II PIs) impede the growth of lepidopteran insects by inhibiting serine protease-like enzymes in the larval gut. The three amino acid reactive centre loop (RCL) of these proteinaceous inhibitors is crucial for protease binding and is conserved across the Pin-II family. However, the molecular mechanism and inhibitory potential of the RCL tripeptides in isolation of the native protein has remained elusive. In this study, six peptides corresponding to the RCLs of the predominant Pin-II PIs were identified, synthesized and evaluated for in vitro and in vivo inhibitory activity against serine proteases of the polyphagous insect, Helicoverpa armigera. RCL peptides with sequences PRN, PRY and TRE were found to be potent inhibitors that adversely affected the growth and development of H. armigera. The binding mechanism and differential affinity of the RCL peptides with serine proteases was delineated by crystal structures of complexes of the RCL peptides with trypsin. Residues P1 and P2 of the inhibitors play a crucial role in the interaction and specificity of these inhibitors. Important features of RCL peptides like higher inhibition of insect proteases, enhanced efficacy at alkaline gut pH, longer retention and high stability in insect gut make them suitable molecules for the development of sustainable pest management strategies for crop protection.

}, keywords = {Helicoverpa armigera, Protease, protease inhibitor, Reactive centre loop peptides}, issn = {9651748}, doi = {10.1016/j.ibmb.2018.02.001}, author = {Saikhedkar, Nidhi S. and Joshi, Rakesh S. and Bhoite, Ashwini S. and Mohandasan, Radhika and Yadav, Amit Kumar and Giri, Ashok P.} } @article {44450, title = {Tuning of terahertz resonances of pyridyl benzamide derivatives by electronegative atom substitution}, journal = {Journal of Infrared, Millimeter, and Terahertz Waves}, volume = {39}, year = {2018}, month = {JUL}, pages = {636{\textendash}650}, type = {Journal Article}, abstract = {

N-(pyridin-2-yl) benzamide (Ph2AP)-based organic molecules with prominent terahertz (THz) signatures (less than 5 THz) have been synthesized. The THz resonances are tuned by substituting the most electronegative atom, fluorine, at ortho (2F-Ph2AP), meta (3F-Ph2AP), and para (4F-Ph2AP) positions in a Ph2AP molecule. Substitution of fluorine helps in varying the charge distribution of the atoms forming hydrogen bond and hence strength of the hydrogen bond is varied which helps in tuning the THz resonances. The tuning of lower THz resonances of 2F-Ph2AP, 3F-Ph2AP, and 4F-Ph2AP has been explained in terms of compliance constant (relaxed force constant). Four-molecule cluster simulations have been carried out using Gaussian09 software to calculate the compliance constant of the hydrogen bonds. Crystal structure simulations of the above molecules using CRYSTAL14 software have been carried out to understand the origin of THz resonances. It has been observed that THz resonances are shifted to higher frequencies with stronger hydrogen bonds. The study shows that 3F-Ph2AP and 4F-Ph2AP have higher hydrogen bond strength and hence the THz resonances originating due to stretching of intermolecular hydrogen bonds have been shifted to higher frequencies compared to 2F-Ph2AP. The methodology presented here will help in designing novel organic molecules by substituting various electronegative atoms in order to achieve prominent THz resonances.

}, keywords = {Compliance constant, Density functional theory, Ph2AP molecule, Terahertz spectroscopy}, issn = {18666892}, doi = {10.1007/s10762-018-0500-8}, author = {Dash, Jyotirmayee}, editor = {Ray, Shaumik} } @article {44447, title = {Tuning the dimensionality of layered Srn+1Tin-xNixO3n+1 perovskite structures for improved activity in syngas generation}, journal = {Journal of Catalysis}, volume = {360}, year = {2018}, month = {APR }, pages = {27-39}, type = {Journal Article}, abstract = {

Interest in perovskite type oxides is growing due to their versatile catalytic applications. A series of Ruddlesden-Popper (RP) type layered perovskite oxides Srn+1Tin-xNixO3n+1 were prepared and evaluated for their catalytic activity in steam reforming, CO2 reforming and bi-reforming of methane. These materials, prepared through citrate gel method were characterized to understand their structure and Ni reducibility. Substitution of Ni in RP phases was established through refinement of XRD powder pattern. During methane reforming, the catalytic activity increased with the order of RP phase of SrTi1-xNixO3-δ (n = $\infty$). TPR results show variation in Ni reducibility with the order of RP phase, while TPD-O2 study helped to estimate oxygen vacancies. These vacancies seem to influence catalytic activity during methane reforming. Transient pulse experiments show that CO2 dissociates over oxygen vacancies to give CO and oxygen, with later replenishing lattice oxygen in SrTi0.8Ni0.2O3-δ (n = $\infty$) phases. Highly labile oxygen vacancies generated in the bulk of SrTi0.8Ni0.2O3-δ must be migrating to the surface, helping in the removal of coke formed. Characterization of catalysts after reaction helped in better understanding of coke precursors.

}, keywords = {Dry reforming, NickelSyngas, Ruddlesden-Popper (RP) perovskites, Steam reforming}, issn = {219517}, doi = {10.1016/j.jcat.2018.01.015}, author = {Dama, Srikanth}, editor = {Ghodke, Seema} } @article {45374, title = { Twelve-armed hexaphenylbenzene-based giant supramolecular framework for entrapping guest molecules}, journal = {ChemPlusChem}, volume = {83}, year = {2018}, month = {NOV}, pages = {1032-1037}, type = {Article}, abstract = {

Host-guest chemistry is a functional model in supramolecular chemistry for understanding specific process occurring in biological systems. Herein, we describe a rationally designed giant multiarmed hexaphenylbenzene (HPB)-based supramolecular frameworks which encapsulate a variety of guest molecules in the voids of their crystal lattice through the cooperative interplay of multivalency, noncovalent forces and backbone rigidity. In this connection, pseudo-axially substituted twelve-armed hexaphenylbenzene was synthesized and its molecular entrapping nature was studied by varying number of H-bond donor-acceptor sites in the arms. The per-methyl esterified HPB acted as a cavitand to include nonpolar and polar aprotic guests in its crystal structure via C-H center dot center dot center dot pi, C-H center dot center dot center dot O and C-H center dot center dot center dot N interactions. The corresponding amidated HPB showed unprecedented inclusion of ammonia and segregation of the guest molecules according to their polarity in the lattice. Furthermore, this molecular entrapping system has been used to obtain the crystal structure of a hitherto unproven 2-azaallenium intermediate, which had been proposed to be involved in aminomethylation of activated arenes.

}, issn = { 2192-6506}, doi = {10.1002/cplu.201800478}, author = {Madhu, Suresh and Gonnade, Rajesh G. and Das, Tamal and Vanka, Kumar and Sanjayan, Gangadhar J.} } @article {45429, title = {Understanding conformational dynamics of complex lipid mixtures relevant to biology}, journal = {Journal of membrane biology}, volume = {251}, year = {2018}, month = {DEC}, pages = {609-631}, type = {Article}, abstract = {This is a perspective article entitled "Frontiers in computational biophysics: understanding conformational dynamics of complex lipid mixtures relevant to biology" which is following a CECAM meeting with the same name.}, issn = {0022-2631 }, doi = {10.1007/s00232-018-0050-y}, author = {Friedman, Ran and Khalid, Syma and Aponte-Santamaria, Camilo and Arutyunova, Elena and Becker, Marlon and Boyd, Kevin J. and Christensen, Mikkel and Coimbra, Joao T. S. and Concilio, Simona and Daday, Csaba and van Eerden, Floris J. and Fernandes, Pedro A. and Graeter, Frauke and Hakobyan, Davit and Heuer, Andreas and Karathanou, Konstantina and Keller, Fabian and Lemieux, M. Joanne and Marrink, Siewert J. and May, Eric R. and Mazumdar, Antara and Naftalin, Richard and Pickholz, Monica and Piotto, Stefano and Pohl, Peter and Quinn, Peter and Ramos, Maria J. and Schiott, Birgit and Sengupta, Durba and Sessa, Lucia and Vanni, Stefano and Zeppelin, Talia and Zoni, Valeria and Bondar, Ana-Nicoleta and Domene, Carmen} } @article {44384, title = {Unravelling the nucleophilicity of buten tides for 1,6-conjugate addition to p-quinone methides: a direct access to diversely substituted butenolide-derived diarylmethanes}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {MAY}, pages = {2787-2791}, abstract = {A Lewis acid catalyzed regioselective C-C bond is constructed through beta-addition of deconjugated butenolides with p-quinone methides in a 1,6-conjugate addition manner. Interestingly, Lewis acid catalyzed vinylogous Mukaiyama-Michael reaction of silyloxyfurans with p-QMs proceeds selectively through the alpha or gamma position exclusively. The reaction is mild with broad substrate scope, thus allowing easy access to a wide range of bis-arylated alpha-/beta-/gamma-substituted butenolides.}, doi = {10.1021/acs.orglett.8b00745}, author = {Sharma, Brijesh M. and Shinde, Dinesh R. and Jain, Ruchi and Begari, Eeshwaraiah and Satbhaiya, Shruti and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {45596, title = {Use of enzymes as tools in industrial processes.}, journal = {Recent patents on biotechnology}, volume = {12}, year = {2018}, pages = {297-298}, type = {Article}, doi = {10.2174/187220831204181221102552}, author = {Gokhale, D.V.} } @article {44434, title = {Vanadium-based polyoxometalate complex as a new and efficient catalyst for phenol hydroxylation under mild conditions}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {APR}, pages = {5142-5152}, type = {Article}, abstract = {

An eco-compatible catalytic protocol for H2O2 induced hydroxylation of phenol (PH) to catechol (CT) and hydroquinone (HQ) in aqueous medium, using a polyoxovanadate (POV) complex as the catalyst, is described. The synthesis of the POV catalyst, with a new type of three dimensional framework, Na6(H2O)22(V10O28)2H2O (1) was accomplished by establishing a non-hydrothermal one-step methodology under mild conditions. The catalyst was characterized by elemental analysis, spectral studies, single crystal X-ray diffraction studies, and Brunauer{\textendash}Emmett{\textendash}Teller (BET) and TGA analysis. Under optimum conditions of reaction, conducted at ambient temperature, the phenol conversion reached up to 55.4\% providing a TON of 138. The catalyst could be recovered easily and recycled at least up to three cycles without significant change in activity. The developed methodology is operationally simple and free from halogenated solvents or any other hazardous additives.

}, issn = {11440546}, doi = { 10.1039/c7nj04433j}, author = {Sharma, Mitu and Saikia, Gangutri and Ahmed, Kabirun and Gogoi, Sandhya Rani and Puranik, Vedavati G. and Islam, Nashreen S.} } @article {44207, title = {Water induced morphological transformation of a poly(aryl ether) dendron amphiphile: helical fibers to nanorods, as light-harvesting antenna systems}, journal = {Nanoscale}, volume = {10}, year = {2018}, month = {JAN}, pages = {1464-1473}, type = {Article}, abstract = {

Self-assembly of suitable molecular building blocks is an efficient and convenient approach to generate nanomaterials with various morphologies and functions. Moreover, understanding the nature of molecules and controlling factors of their self-assembly process is crucial in fundamental aspects of molecular self-assembly which provide insights into the design of new assemblies with functional nano-architectures. To this end, the present study reports water induced self-assembled multifaceted morphology formation and the plausible pathway of the morphology transformation of a single poly(aryl ether) dendron amphiphile 1(D). In THF, 1(D) self-assembles into helical fibers. However, with an increase in the water fraction in its THF solution, the morphology changes to nanorods through an intermediate scroll-up pathway of exfoliated fibers. The nanorod formation and transformation of 1(D) are investigated using various microscopy and spectroscopy techniques, which indicate that it has highly ordered multilayered arrays of 1(D) molecules. Finally, these multilayered arrays of 1(D) nanorods are exploited for constructing a model light-harvesting system via the incorporation of small quantities of two newly designed BODIPY based molecules as energy acceptors and 1(D) as an antenna chromophore.

}, issn = {2040-3364}, doi = {10.1039/c7nr07663k}, author = {Maity, Arunava and Dey, Ananta and Gangopadhyay, Monalisa and Das, Amitava} } @article {45449, title = {Water-in-acid gel polymer electrolyte realized through a phosphoric acid-enriched polyelectrolyte matrix toward solid-state supercapacitors}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {6}, year = {2018}, month = {OCT}, pages = {12630-12640}, type = {Article}, abstract = {A new concept of water-in-acid gel polymer electrolytes (GPEs) is introduced. The simple and scalable UV-light-assisted synthesis of a copolymer matrix possessing polyelectrolyte behavior, followed by swelling in minimally diluted H3PO4 (15.1 M/88 wt \% aqueous solution), effects formation of a high proton-conducting, self-standing, and mechanically stable polyelectrolyte GPE (PGPE). Retention of high mechanical stability despite the presence of a large amount of liquid species makes it a promising candidate for replacing conventional GPEs. The high proton conductivity (9.8 X 10(-2) S cm(-1)) of the PGPE at an ambient temperature of 303 K is attributed to the high concentration of the conducting species present in the polymer matrix. The PGPE-based polyaniline (PANI) supercapacitor device (PANI-1) with a mass loading of 1 mg cm(-2) exhibits a high specific gravimetric capacitance of 385 F g(-1) at a current density of 0.25 mA cm(-2). At the same current density, the PANI-5 device retains high gravimetric and areal capacitance values of 258 F g(-1) and 1288 mF cm(-2), respectively. The low equivalent series resistance value of 0.78 Omega (for the PANI-5 device) further proves the excellent electrode-electrolyte interface formed by the water-in-acid GPE. A 100\% capacitance retention even after 9000 continuous charge-discharge cycles strongly indicates the feasibility of adopting water-in-acid GPEs in future supercapacitors.}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.8b01175}, author = {Vijayakumar, Vidyanand and Ghosh, Meena and Torris, Arun A. T. and Chandran, Nikhil M. K. and Nair, Sanoop B. and Badiger, Manohar V. and Kurungot, Sreekumar} } @article {44558, title = {What drives the H-abstraction reaction in bio-mimetic oxoiron-bTAML complexes? A computational investigation}, journal = {Physical Chemistry and Chemical Physics}, volume = {20}, year = {2018}, month = {APR }, pages = {13845-13850 }, type = {Journal Article}, abstract = {Monomeric iron-oxo units have been confirmed as intermediates involved in the C{\textendash}H bond activation in various metallo-enzymes. Biomimetic oxoiron complexes of the biuret modified tetra-amido macrocyclic ligand (bTAML) have been demonstrated to oxidize a wide variety of unactivated C{\textendash}H bonds. In the current work, density functional theory (DFT) has been employed to investigate the hydrogen abstraction (HAT) reactivity differences across a series of bTAML complexes. The cause for the differences in the HAT energy barriers has been found to be the relative changes in the energy of the frontier molecular orbitals (FMOs) induced by electronic perturbation.}, issn = {14639076}, doi = {10.1039/C8CP01333K}, author = {Mukherjee, Anagh}, editor = {Pattanayak, Santanu} } @article {44610, title = {WRKY1 acts as a key component improving resistance against Alternaria solani in wild tomato, Solanum arcanum Peralta}, journal = {Plant Biotechnology Journal }, volume = {16}, year = {2018}, month = {AUG}, pages = {1502-1513}, abstract = {

Early blight (EB), caused by Alternaria solani, is a major threat to global tomato production. In comparison with cultivated tomato (Solanum lycopersicum), a wild relative, S.arcanum exhibits strong resistance against EB. However, molecular cascades operating during EB resistance in wild or cultivated tomato plants are largely obscure. Here, we provide novel insight into spatio-temporal molecular events in S.arcanum against A.solani. Transcriptome and co-expression analysis presented 33-WRKYs as promising candidates of which 12 SaWRKYs displayed differential expression patterns in resistant and susceptible accessions during EB disease progression. Among these, SaWRKY1 exhibited induced expression with significant modulation in xyloglucan endotrans hydrolase 5 (XTH5) and MYB2 expressions that correlated with the disease phenotypes. Electro-mobility shift assay confirmed physical interaction of recombinant SaWRKY1 to SaXTH5 and SaMYB2 promoters. Comparative WRKY1 promoter analysis between resistant and susceptible plants revealed the presence of crucial motifs for defence mechanism exclusively in resistant accession. Additionally, many defence-related genes displayed significant expression variations in both the accessions. Further, WRKY1 overexpressing transgenic plants exhibited higher levels of EB resistance while RNAi silencing lines had increased susceptibility to A.solani with altered expression of XTH5 and MYB2. Overall, these findings demonstrate the positive influence of WRKY1 in improving EB resistance in wild tomato and this could be further utilized as a potential target through genetic engineering to augment protection against A.solani in crop plants.

}, keywords = {Alternaria solani, early blight, Solanum arcanum, Tomato, WRKY1, XTH5}, issn = {1467-7644}, doi = {10.1111/pbi.12892}, author = {Shinde, Balkrishna A. and Dholakia, Bhushan B. and Hussain, Khalid and Aharoni, Asaph and Giri, Ashok P. and Kamble, Avinash C.} } @article {44210, title = {X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN}, pages = {1078-1086}, type = {Article}, abstract = {

Diastereomeric {\textquoteleft}2RS, 4R{\textquoteright}-2-arylthiazolidine-4-carboxylic acids (ATCAs) were synthesized and their resolution to chiraly pure N-BOC derivatives was attempted by column chromatography. The absolute stereochemistry of the resolved compounds was ascertained by X-ray single crystal structures. Further application of the synthesized compounds was studied for their in vitro anti-breast cancer activity against MCF7 cell line using DOX as a standard by MTT assay method. Cell morphology analysis was carried out by fluorescence microscopy. The compounds containing {\textquoteleft}2S{\textquoteright} absolute configuration in thiazolidine ring and presence of 2-NO2, 2,6-Cl groups on {\textquoteleft}2R{\textquoteright}-aryl substituent showed significant antibreast cancer activity where some of the compounds were found to be more active than DOX in terms of induced apoptosis mode of MCF7 cell death.

}, issn = {1144-0546}, doi = {10.1039/c7nj02961f}, author = {Jagtap, Rohidas M. and Thorat, Shridhar H. and Gonnade, Rajesh G. and Khan, Ayesha A. and Pardeshi, Satish K.} } @article {44421, title = {Zinc supplementation decreases galactosylation of recombinant IgG in CHO cells}, journal = {Applied Microbiology and Biotechnology}, year = {2018}, month = {MAY}, pages = {1-11}, type = {Journal Article}, abstract = {

Trace element composition of culture medium can be altered to modulate glycoform of recombinant glycoproteins. In this study, we show that Zn2+ supplementation at or above 100 μM decreases galactosylation of recombinant IgG expressed in Chinese Hamster Ovary cells. This decrease in galactosylation is not due to reduced galactosyltransferase expression. This effect persists upon supplementation of galactose and uridine to the culture, indicating that it may not be due to reduced UDP-Gal availability. Measurements of galactosyltransferase activity in the cell lysate show that activity decreases with increasing Zn2+/Mn2+ ratio. This suggests that one possible explanation of the effect of Zn2+ may be reduced intracellular galactosyltransferase activity due to increase in Zn2+/Mn2+ ratio. Consistent with this, the decrease in galactosylation of IgG could be reversed by supplementation of Mn2+ (a cofactor of galactosyltransferase) which increases intracellular Mn2+ content. Measurement of total intracellular Zn2+ content, however, indicates no significant upregulation of total intracellular Zn2+ content and no significant downregulation of intracellular Mn2+ content with Zn2+ supplementation. One possible explanation could be that cellular detoxification response to higher extracellular Zn2+ concentration might lead to changes in intracellular distribution of Mn2+. In this case, Zn2+ supplementation would be expected to interfere with other known effects of Mn2+. Indeed, the previously reported increase in high mannose glycans upon Mn2+ supplementation in the absence of glucose is reversed by Zn2+ supplementation. This study also suggests the use of Mn2+ supplementation as a strategy to overcome the effect of lot-to-lot variability in trace element concentrations on galactosylation.

}, keywords = {CHO cells, glycosylation, manganese, Trace metals, zinc}, issn = {1757598}, doi = {10.1007/s00253-018-9064-8}, author = {Prabhu, Anuja}, editor = {Gadre, Ramchandra} } @article {46336, title = {1,6-Conjugate-addition-induced [2+1] annulation of para-quinone methides and pyrazolones: synthesis of bis-spiro compounds with contiguous quaternary spiro-centers}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {OCT }, pages = {7736-7740}, type = {Article}, abstract = {

A diastereoselective formal 1,6-conjugate-addition-mediated [2 + 1] annulation reaction using p-quinone methides and pyrazolones has been described. The corresponding bis-spiro[cyclohexadienone-cyclopropane-pyrazolone] compounds were obtained in very good yield under mild reaction conditions.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b02641}, author = {Kale, Someshwar B. and Jori, Popat K. and Thatikonda, Thanusha and Gonnade, Rajesh G. and Das, Utpal} } @article {46347, title = {Acidic handle assemble heterogeneous carbocatalyst for facile aliphatic nucleophilic fluorination}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {SEP }, pages = {10960-10964}, type = {Article}, abstract = {

Acidic handle (-SO3H) assemble carbonaceous catalyst synthesized from glucose acts as a modulator for the nucleophilic fluorination reaction. The heterogeneous catalyst works with various alkyl sulfonate, halide and metal fluoride (MF), to offer a high yield of fluorinated products up to 93\%. This carbonaceous catalyst is recyclable for more than five times, with no major loss of activity.

}, keywords = {fluorination, heterogeneous catalysis}, issn = {2365-6549}, doi = {10.1002/slct.201902771}, author = {Said, Madhukar S. and Pandole, Satish and Suryavanshi, Amol and Kumar, Pradeep and Gajbhiye, Jayan M.} } @article {45623, title = {Amphiphilic glycopolypeptide star copolymer-based cross-linked nanocarriers for targeted and dual-stimuli-responsive drug delivery}, journal = {Bioconjugate Chemistry}, year = {2019}, month = {JAN}, type = {Article}, abstract = {Glycopolypeptide-based nanocarriers are an attractive class of drug delivery vehicles because of the involvement of carbohydrates in the receptor-mediated endocytosis process. To enhance their efficacy toward controlled and programmable drug delivery, we have prepared stable glycopolypeptide-based bioactive dual-stimuli-responsive (redox and enzyme) micelles for delivery of anticancer drugs specifically to the cancer cells. The amphiphilic biocompatible miktoarm star copolymer, which comprises two hydrophobic poly(ε-caprolactone) blocks, a short poly(propargyl glycine) middle block, and a hydrophilic galactose glycopolypeptide block, was designed and synthesized. The star copolymer is initially self-assembled into un-cross-linked (UCL) micelles, and free alkyne groups at the core{\textendash}shell interface of the UCL micelles, which were cross-linked by bis(azidoethyl) disulfide (BADS) via click chemistry to form interface cross-linked (ICL) micelles. ICL micelles were found to be stable against dilution. BADS imparted redox-responsive properties to the micelles, while PCL rendered them enzyme-degradable. Dual-stimuli-responsive release behavior with Dox as model drug was studied individually as well as synergistically by applying two stimuli in different sequences. The galactose-containing UCL and ICL micelles were shown to be nontoxic. Intracellular Dox release from UCL and ICL micelles was demonstrated in liver cancer cells (HepG2) by time-dependent cellular uptake studies, and controlled release from ICL micelles compared to UCL micelles was observed. The present report opens a new approach toward targeted and programmable drug delivery in tumor tissues via a specifically targeted (receptor-mediated), dual-responsive, and stable cross-linked nanocarrier system.}, doi = {10.1021/acs.bioconjchem.8b00831}, author = {Pandey, B. and Patil, N. G. and Bhosle, G. S. and Ambade, A. V. and Gupta, S. S.} } @article {46106, title = {Amphiphilic polypyridyl ruthenium complexes: synthesis, characterization and aggregation studies}, journal = {Polyhedron}, volume = {164}, year = {2019}, month = {MAY }, pages = {96-107}, type = {Article}, abstract = {

{Synthesis and characterization of five amphiphilic ruthenium(11) complexes of the type [Ru(Cn)(3)]center dot(PF6)(2) (Cn = 4,4{\textquoteright}-dialkyl-2,2{\textquoteright}-bipyridine

}, keywords = {2, 2 {\textquoteleft}-bipyridine, Aggregation, Amphiphilic ligand, Metallosurfactant, Ruthenium complexes}, issn = {0277-5387}, doi = {10.1016/j.poly.2019.02.035}, author = {Bhand, Sujit and Lande, Dipali N. and Pereira, Eulalia and Gejji, Shridhar P. and Weyhermueller, Thomas and Chakravarty, Debamitra and Puranik, Vedavati G. and Salunke-Gawali, Sunita} } @article {46166, title = {Aryne Sommelet-Hauser rearrangement}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {MAR}, pages = {3004-3007}, type = {Article}, abstract = {

An aryne induced transition-metal-free and mild Sommelet-Hauser rearrangement of tertiary benzylamines for the synthesis of -aryl amino acid derivatives in moderate to good yields is presented. Unlike the conventional Sommelet-Hauser rearrangement of ammonium salts, the methodology developed herein requires neither harsh conditions nor strong bases. Moreover, a temperature dependent switchable selectivity for the Sommelet-Hauser and Stevens [1,2] rearrangements has been observed.

}, issn = {1359-7345}, doi = {10.1039/c9cc00629j}, author = {Roy, Tony and Gaykar, Rahul N. and Bhattacharjee, Subrata and Biju, Akkattu T.} } @article {46113, title = {Azadirachtin-A from azadirachta indica impacts multiple biological targets in cotton bollworm helicoverpa armigera}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {MAY}, pages = {9531-9541}, type = {Article}, abstract = {

Azadirachtin-A (AzaA) from the Indian neem tree (Azadirachta indica) has insecticidal properties; however, its molecular mechanism remains elusive. The {\textquoteleft}{\textquoteleft}targeted and nontargeted proteomic profiling{\textquoteright}{\textquoteright}, metabolomics, matrix-assisted laser desorption/ionization time of flight (MALDI-TOF) imaging, gene expression, and in silico analysis provided clues about its action on Helicoverpa armigera. Fourth instar H. armigera larvae fed on AzaA-based diet (AzaD) suffered from significant mortality, growth retardation, reduced larval mass, complications in molting, and prolonged development. Furthermore, death of AzaD-fed larvae was observed with various phenotypes like bursting, blackening, and half-molting. Liquid chromatography-mass spectrometry (LC-MS) data showed limited catabolic processing of ingested AzaA and dramatic alternations of primary metabolism in H. armigera. MALDI-TOF imaging indicated the presence of AzaA in midgut of H. armigera. In the gut, out of 79 proteins identified, 34 were upregulated, which were related to digestion, immunity, energy production, and apoptosis mechanism. On the other hand, 45 proteins were downregulated, including those from carbohydrate metabolism, lipid metabolism, and energy transfer. In the hemolymph, 21 upregulated proteins were reported to be involved in immunity, RNA processing, and mRNA-directed protein synthesis, while 7 downregulated proteins were implicated in energy transfer, hydrolysis, lipid metabolism, defense mechanisms, and amino acid storage-related functions. Subsequently, six target proteins were identified using labeled AzaA that interacted with whole insect proteins. In silico analysis suggests that AzaA could be efficiently accommodated in the hydrophobic pocket of juvenile hormone esterase and showed strong interaction with active site residues, indicating plausible targets of AzaA in H. armigera. Quantitative polymerase chain reaction analysis suggested differential gene expression patterns and partly corroborated the proteomic results. Overall, data suggest that AzaA generally targets more than one protein in H. armigera and hence could be a potent biopesticide.

}, issn = {2470-1343}, doi = {10.1021/acsomega.8b03479}, author = {Dawkar, Vishal V. and Barage, Sagar H. and Barbole, Ranjit S. and Fatangare, Amol and Grimalt, Susana and Haldar, Saikat and Heckel, David G. and Gupta, Vidya S. and Thulasiram, Hirekodathakallu V. and Svatos, Ales. and Giri, Ashok P.} } @article {46357, title = {Beneficial effects of Stevioside on AGEs, blood glucose, lipid profile and renal status in streptozotocin-induced diabetic rats}, journal = {Journal of Applied Biomedicine}, volume = {17}, year = {2019}, month = {APR}, pages = {190-197}, type = {Article}, abstract = {

The advanced glycated end products (AGEs) are formed in the diabetic patients; it is a major cause of macrovascular and microvascular complications in diabetes. Clinically there is no treatment available for the AGEs. Stveoside (Stv), a sweetener has potent anti-diabetic and anti-oxidant activity. Hence, we investigated its use in prevention of AGEs formation using in vitro and in vivo models. Diabetes was induced by streptozotocin (STZ). These rats were kept without treatment till blood HbA1c was markedly increased. They were then divided into 5 groups and treated orally with vehicle or Metformin (MET) or Stv respectively for 28 days. Every 7th day, animals were tested for body weight and blood glucose (BG). On the last day of treatment, all the groups were evaluated for physiological and biochemical parameters, histopathology and AGEs; N-carboxymethyl-lysine (CML) estimation. Stv showed inhibition of AGEs in in vitro as well as in in vivo respectively. Positive effects were seen on the BG, lipid profile and urine parameters as well it showed reduced formation of CML. It also showed antihyperglycaemic, antihyperlipedemic and nephroprotective activities. The present study provides scientific rationale for the use of Stv as a sweetener with additional benefits in diabetes.

}, keywords = {AGEs, Diabetes, Diabetes complications, N-carboxymethyl-lysine, Stevioside, Streptozotocin}, issn = {1214-021X}, doi = {10.32725/jab.2019.013}, author = {Aswar, Urmila and Gogawale, Vinayak and Miniyar, Pankaj and Patil, Yugendra} } @inbook {47471, title = {Biochemical and molecular aspects of dimorphism in fungi}, booktitle = {Advancing Frontiers in Mycology \& Mycotechnology}, year = {2019}, pages = {69-94}, publisher = {Springer}, organization = {Springer}, abstract = {Most of the eukaryotic differentiation processes are unidirectional. However, fungi have the ability to grow reversibly as unicellular yeast (Y) or as filamentous hypha (H) in response to the specific strain-dependent environmental stimuli. Such a phenomenon known as {\textquotedblleft}dimorphism{\textquotedblright} is not limited to a specific class of fungi. Most of the plant, human, and insect pathogenic fungi show Y-H and reversible morphogenesis, associated with their saprophytic to pathogenic change, for survival and proliferation in the host. In this chapter, we have described the factors stimulating dimorphism, the signal transduction pathways induced by these stimuli, changes in the gene/protein expression patterns due to a cascade of these signals, and, finally, translation of this genotypic effect into phenotypic change, i.e., the morphological outcome. The process of fungal differentiation and formation of tumor cells follow the same regulatory series of events, involving cAMP, MAP, and RAS kinase cascades. Therefore, the molecules inhibiting Y-H transition in fungi can be explored for their anticancer potential.}, doi = {10.1007/978-981-13-9349-5_3}, author = {Pathan, Ejaj K. and Ghormade, Vandana and Panmei, Redeemson and Deshpande, Mukund V.} } @article {46047, title = {Biodegradation of squalene and n-hexadecane by Gordonia amicalis HS-11 with concomitant formation of biosurfactant and carotenoids}, journal = {International Biodeterioration \& Biodegradation}, volume = {142}, year = {2019}, month = {AUG}, pages = {172-181}, type = {Article}, abstract = {

Gordonia amicalis HS-11 has been enriched from a hydrocarbon contaminated tropical soil sample. The ability of this organism to utilize a triterpenic polyunsaturated hydrocarbon, squalene (2,6,10,15,19,23-hexamethyl-6,6,10,14,18,20-tetracosahexane) and the model saturated hydrocarbon n-hexadecane is described here. The isolate degraded squalene and n-hexadecane (79 +/- 3.02 and 96 +/- 4.11\%, respectively) after eight days of incubation. The isolate produced an extracellular biosurfactant that reduced surface tension from 69 +/- 2.83 to 40 +/- 1.63 and 35 +/- 2.34 mN m(-1) with squalene and n-hexadecane as carbon sources, respectively, after 6 days. The Actinomycete cleaved squalene to geranylacetone and famesyl acetaldehyde that were further utilized for supporting growth. n-Hexadecane was degraded via monoterminal oxidation and activities of important enzymes (alkane hydroxylase and alcohol dehydrogenase) were highest (215 +/- 8.76 and 169 +/- 6.02 units mg(-1) protein, respectively) after four days. Cells grown on squalene were short and with n-hexadecane there were clumps of longer cells. Squalene and n-hexadecane-grown cell surfaces were smooth possibly due to extracellular surface active compounds. While growing on hydrophobic substrates, some cells were seen adhering to droplets and others were in the free form. The culture was able to simultaneously degrade hydrocarbons and produce two commercially relevant value-added products. The yield of the extracellular biosurfactant on n-hexadecane was 480 mg l(-1) and cells grown on squalene and n-hexadecane also yielded carotenoids (2.3 +/- 0.14 and 2.9 +/- 0.10 mg g(-1) dry cell weight, respectively). This is the first report on the utilization of squalene by Gordonia.

}, keywords = {Aerobic biodegradation, Carotenoids, Catabolic pathways, Emulsifier, Gordonia amicalis HS-11}, issn = {0964-8305}, doi = {10.1016/j.ibiod.2019.05.005}, author = {Sowani, Harshada and Deshpande, Ashish and Gupta, Vidya and Kulkarni, Mohan and Zinjarde, Smita} } @article {46419, title = {Biopolymer/glycopolypeptide-blended scaffolds: synthesis, characterization and cellular interactions}, journal = {Chemistry-An Asian Journal}, year = {2019}, month = {DEC}, type = {Article; Early Access}, abstract = {

Three-dimensional (3D) scaffolds formed from natural biopolymers gelatin and chitosan that are chemically modified by galactose have shown improved hepatocyte adhesion, spheroid geometry and functions of the hepatocytes. Galactose specifically binds to the hepatocytes via the asialoglycoprotein receptor (ASGPR) and an increase in galactose density further improves the hepatocyte proliferation and functions. In this work, we aimed to increase the galactose density within the biopolymeric scaffold by physically blending the biopolymers chitosan and gelatin with an amphiphlic beta-galactose polypeptide (PPO-GP). PPO-GP, is a di-block copolymer with PPO and beta-galactose polypeptide, exhibits lower critical solution temperature and is entrapped within the scaffold through hydrophobic interactions. The uniform distribution of PPO-GP within the scaffold was confirmed by fluorescence microscopy. SEM and mechanical testing of the hybrid scaffolds indicated pore size, inter connectivity and compression modulus similar to the scaffolds made from 100 \% biopolymer. The presence of the PPO-GP on the surface of the scaffold was tested monitoring the interaction of an analogous mannose containing PPO-GP scaffold and the mannose binding lectin Con-A. In vitro cell culture experiments with HepG2 cells were performed on GLN-GP and CTS-GP and their cellular response was compared with GLN and CTS scaffolds for a period of seven days. Within three days of culture the Hep G2 cells formed multicellular spheroids on GLN-GP and CTS-GP more efficiently than on the GLN and CTS scaffolds. The multicellular spheroids were also found to infiltrate more in GLN-GP and CTS-GP scaffolds and able to maintain their round morphology as observed by live/dead and SEM imaging.

}, keywords = {adhesion, Aggregates, Cellular infiltration, Spheroids}, issn = {1861-4728}, doi = {10.1002/asia.201901227}, author = {Dhaware, Vinita and Diaz, David Diaz and Sen Gupta, Sayam} } @article {45563, title = {Biosynthesized Co-doped TiO2 nanoparticles based anode for lithium-ion battery application and investigating the influence of dopant concentrations on its performance}, journal = {Composites Part B: Engineering}, volume = {167}, year = {2019}, month = {JUN}, pages = {44-50}, type = {Article}, abstract = {TiO2 is a good alternative anode material for lithium-ion battery application because of its incomparable high structural stability and safety during the charge/discharge cycles. However, the low intrinsic conductivity of TiO2 has been a limiting factor affecting its cycling and rate capability performance. Here in this work, we present Co-doped TiO2 nanoparticles based anode with good reversibility, cycling stability and rate capability performance for its envisaged application in lithium-ion battery. The Co-doped TiO2 nanoparticles with different Co concentrations (3\%, 5\%, and 7\%) are synthesized using simple and economic biomediated green approach, wherein TiCl4 and Co precursors are allowed to react in Bengal gram bean extract containing biomolecules which act as natural capping agents to control the size of nanoparticles. Among the pure TiO2 and different Co-doped TiO2 samples, the 7\% Co-doped TiO2 anode show the highest capacity of 167 mAh g-1 (88.3\%) after 100 cycles at the 0.5C current density. The Co-doped TiO2 shows higher and stable coulombic efficiency up to 100 GCD cycles indicating good reversibility. Based on the results, it is expected that the Co-doped TiO2 nanoparticles might be contributing to the enhanced electronic conductivity providing an efficient pathway for fast electron transfer.}, doi = {10.1016/j.compositesb.2018.12.001}, author = {Kashale, A. A. and Rasal, A. S. and Kamble, G. P. and Ingole, V. H. and Dwivedi, P. K. and Rajoba, S. J. and Jadhav, L. D. and Ling, Y. C. and Chang, J. Y. and Ghule, A. V.} } @article {46051, title = {Cadmium sulfide nanostructures: influence of morphology on the photocatalytic degradation of erioglaucine and hydrogen generation}, journal = {Applied Surface Science}, volume = {483}, year = {2019}, month = {JUL}, pages = {696-705}, type = {Article}, abstract = {

Size and shape of inorganic materials are known to have great effects on their physical and chemical properties. Here, for the first time we report the visible light driven photocatalytic degradation of erioglaucine - a stable organic dye molecule in the presence of chemically synthesized nanoscale CdS with 1D (nanorods), 2D (nanosheets) and 3D (hierarchical) morphology. Visible light driven photocatalytic degradation efficiency of both 1D and 3D CdS in the removal of erioglaucine are identical. Surprisingly, with 5 min of sonication, the highly crystalline 3D CdS stacked with many thin nanowires containing numerous active surface sites exhibited fourfold enhanced photodegradation efficiency in comparison to 1D and 2D CdS. Scavenger studies revealed that electrons and superoxide radicals are primary reactive species involved in the photodegradation of erioglaucine, while cyclic photodegradation studies revealed the good stability of 3D CdS against photocorrosion. Further, the photocatalytic hydrogen evolution studies also revealed the excellent activity of 3D CdS in comparison to 1D and 2D CdS. Thus, we find that the morphology indeed influences the photocatalytic activity. These results reveal that 3D CdS nanostructures investigated in the present work are efficient photocatalysts that could be fine-tuned for both environmental remediation and hydrogen generation applications.

}, keywords = {Cadmium sulfide, Erioglaucine, Hydrogen evolution, Nanostructures, Photocatalysis}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2019.04.018}, author = {Shenoy, Sulakshana and Jang, Eunyong and Park, Tae Joo and Gopinath, Chinnakonda S. and Sridharan, Kishore} } @article {46297, title = {Cascade energy transfer and tunable emission from nanosheet hybrids: locating acceptor molecules through chiral doping (vol 53, pg 7072, 2017)}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {JUN }, pages = {6462-6462}, type = {Correction}, abstract = {

Correction for {\textquoteleft}Cascade energy transfer and tunable emission from nanosheet hybrids: locating acceptor molecules through chiral doping{\textquoteright} by Goudappagouda et al., Chem. Commun., 2017, 53, 7072-7075.

}, issn = {1359-7345}, doi = {10.1039/c9cc90228g}, author = {Goudappagouda and Wakchaure, Vivek Chandrakant and Ranjeesh, Kayaramkodath Chandran and Abhai, Chalona Antony Ralph and Babu, Sukumaran Santhosh} } @article {46204, title = {Charge transfer liquid: a stable donor-acceptor interaction in the solvent-free liquid state}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {AUG}, pages = {9371-9374}, type = {Article}, abstract = {

Charge-transfer complexes have been an inspiration to develop many functional soft materials. However, most of those studies have focused on solution based assemblies wherein the explicit control of solvents and their polarity are crucial. In this context, we explore an efficient and stable charge transfer liquid using a solvent-free liquid dialkoxynaphthalene donor and a naphthalenediimide acceptor. It has been observed that irrespective of the donor-acceptor ratio, the charge-transfer liquid exhibited an unprecedented stability and retained characteristic features even at increased temperatures. The underlying intermolecular interactions leading to efficient CT have been examined by NMR techniques together with theoretical modelling studies. The concept of charge transfer liquid will be highly beneficial for the development of processable optoelectronically active materials.

}, doi = {10.1039/c9cc03671g}, author = {Wakchaure, Vivek Chandrakant and Pillai, Lekshmi, V and Goudappagouda and Ranjeesh, Kayaramkodath Chandran and Chakrabarty, Suman and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R and Babu, Sukumaran Santhosh} } @article {45514, title = {Clathrin-mediated endocytosis regulates a balance between opposing signals to maintain the pluripotent state of embryonic stem cells}, journal = {Stem Cell Reports}, volume = {12}, year = {2019}, month = {JAN }, pages = {152-164}, type = {Article}, abstract = {

Endocytosis is implicated in the maintenance of embryonic stem cell (ESC) pluripotency, although its exact role and the identity of molecular players remain poorly understood. Here, we show that the clathrin heavy chain (CLTC), involved in clathrin-mediated endocytosis (CME), is vital for maintaining mouse ESC (mESC) pluripotency. Knockdown of Cltc resulted in a loss of pluripotency accompanied by reduced E-cadherin (E-CAD) levels and increased levels of transforming growth factor beta (TGF-beta) and extracellular signal-regulated kinase (ERK) signaling. We demonstrate that both E-CAD and TGF-beta receptor type 1 (TGF-beta R1) are internalized through CME in mESCs. While E-CAD is recycled, TGF-beta R1 is targeted for lysosomal degradation thus maintaining inverse levels of these molecules. Finally, we show that E-CAD interacts with ERK, and that the decreased pluripotency upon CME loss can be rescued by inhibiting TGF-beta R, MEK, and GSK3 beta, or overexpressing E-CAD. Our results demonstrate that CME is critical for balancing signaling outputs to regulate ESC pluripotency, and possibly cell fate choices in early development.

}, issn = {2213-6711}, doi = {10.1016/j.stemcr.2018.11.018}, author = {Narayana, V, Yadavalli and Gadgil, Chetan and Mote, Ridim D. and Rajan, Raghav and Subramanyam, Deepa} } @article {46114, title = {Clopidogrel eluting electrospun polyurethane/polyethylene glycol thromboresistant, hemocompatible nanofibrous scaffolds}, journal = {Journal of Biomaterials Applications}, volume = {33}, year = {2019}, month = {MAY}, pages = {1327-1347}, type = {Article}, abstract = {

Biomaterials used as blood-contacting material must be hemocompatible and exhibit lower thrombotic potential while maintaining hemostasis and angiogenesis. With the aim of developing thromboresistant, hemocompatible nanofibrous scaffolds, polyurethane/polyethylene glycol scaffolds incorporated with 1, 5, and 10 wt\% Clopidogrel were fabricated and evaluated for their physiochemical properties, biocompatibility, hemocompatibility, and antithrombotic potential. The results of physicochemical characterization revealed the fabrication of nanometer-sized scaffolds with smooth surfaces. The incorporation of both polyethylene glycol and Clopidogrel to polyurethane enhanced the hydrophilicity and water uptake potential of polyurethane/polyethylene glycol/Clopidogrel scaffolds. The dynamic mechanical analysis revealed the enhancement in mechanical strength of the polyurethane/polyethylene glycol scaffolds on incorporation of Clopidogrel. The polyurethane/polyethylene glycol/Clopidogrel scaffolds showed a tri-phasic drug release pattern. The results of hemocompatibility assessment demonstrated the excellent blood compatibility of the polyurethane/polyethylene glycol/Clopidogrel scaffolds, with the developed scaffolds exhibiting lower hemolysis, increased albumin and plasma protein adsorption while reduction in fibrinogen adsorption. Further, the platelet adhesion was highly suppressed and significant increase in coagulation period was observed for Clopidogrel incorporated scaffolds. The results of cell adhesion and cell viability substantiate the biocompatibility of the developed nanofibrous scaffolds with the HUVEC cell viability on polyurethane/polyethylene glycol, polyurethane/polyethylene glycol/Clopidogrel-1, 5, and 10\% at day 7 found to be 12.35, 13.36, 14.85, and 4.18\% higher as compared to polyurethane scaffolds, and the NIH/3T3 cell viability found to be 35.27, 70.82, 36.60, and 7.95\% higher as compared to polyurethane scaffolds, respectively. Altogether the results of the study advocate the incorporation of Clopidogrel to the polyurethane/polyethylene glycol blend in order to fabricate scaffolds with appropriate antithrombotic property, hemocompatibility, and cell proliferation capacity and thus, might be successfully used as antithrombotic material for biomedical application.

}, keywords = {adhesion, cardiovascular, coagulation, electrospinning, Hemocompatible, platelet}, issn = {0885-3282}, doi = {10.1177/0885328219832984}, author = {Shitole, Ajinkya A. and Giram, Prabhanjan S. and Raut, Piyush W. and Rade, Priyanka P. and Khandwekar, Anand P. and Sharma, Neeti and Garnaik, Baijayantimala} } @article {46345, title = {Cocrystallization of 2,3-dihydroxynaphthalene with its para-, meta-, and ortho-ditoluates: insight into cocrystal formation and clues for the construction of supramolecular assemblies capable of intermolecular acyl group transfer reactivity (vol 15, pg 12}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {OCT}, pages = {5998}, type = {Correction}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b01022}, author = {Tamboli, Majid I. and Bahadur, Vir and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article {46037, title = {Comprehensive analytical model for polarization curve of a PEM fuel cell and experimental validation}, journal = {Chemical Engineering Science}, volume = {206}, year = {2019}, month = {OCT 12}, pages = {96-117}, type = {Article}, abstract = {

The kinetics of cathodic oxygen reduction reaction (ORR) in a proton exchange membrane fuel cell (PEMFC) is significantly modulated by the resistances for transport of reactants to the catalytic sites offered by different components of the fuel cell. This modulation governs the polarization curve of the PEMFC. Consequently, the various operating, geometric and material parameters of the fuel cell dictate the polarization curve. The effects of these parameters on the polarization curve over the entire range of current density, from zero to limiting current, can be predicted using detailed numerical simulations, which are however expensive. Analytical models, although simple can capture the essential details of physico-chemical processes occurring inside a PEMFC and are significantly inexpensive. In this article, we derive an analytical equation of the polarization curve which is valid over the entire range of current density. Specifically, the representative situation of a humidified low temperature PEMFC is considered wherein oxygen transport resistance in the cathode catalyst layer (CCL) is encountered at lower current density than proton transport resistance in the CCL. A novel experimental methodology is illustrated to confirm that this is indeed the case. Next, we elucidate a procedure to determine in-situ oxygen diffusion coefficients in the various domains of an operational PEMFC. Finally, it is shown that the analytical polarization curve predicted using these parameters is in excellent agreement with the experimental and numerically simulated polarization curves over the entire range of current density. The significance of this work is that the analytical model relates the performance of a PEMFC to all operating and geometric parameters as well as the average transport and kinetic properties of the materials used in its different components, without the need for computationally expensive numerical simulations. The model can therefore provide useful insights for enhancing the performance of PEMFC in different regimes of current density as well as for diagnostic purposes. (C) 2019 Elsevier Ltd. All rights reserved.

}, keywords = {Fuel cell equation, Modelling, PEMFC, Polarization curve}, issn = {0009-2509}, doi = {10.1016/j.ces.2019.05.022}, author = {Thosar, Aniket U. and Agarwal, Harshal and Govarthan, S. and Lele, Ashish K.} } @article {46353, title = {Concise formal synthesis of (-)-(6R,11R,14R)-colletallol via D-proline catalysed alpha-aminooxylation-Wittig olefination strategy}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {58}, year = {2019}, month = {SEP}, pages = {1029-1036}, type = {Article}, abstract = {

An efficient enantioselective formal synthesis of marine macrolide (-)-(6R,11R,14R)-colletallol has been achieved starting from commercially available raw materials. The key reactions include the D-proline catalyzed a-aminooxylation of aldehyde followed by Horner-Wardsworth-Emmons olefination in a sequential fashion to give the macrolide key intermediate 5 in high enantiomeric purity (97\% ee) and high overall yield (32\%).

}, keywords = {alpha-aminoxylation, Asymmetric synthesis, Enantioselectivity, Natural products, organocatalysis}, issn = {0376-4699}, author = {Dey, Soumen and Gadakh, Sunita and Sudalai, Arumugam} } @article {46088, title = {Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C-3 symmetric molecule (vol 54, pg 212, 2018)}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {JUN }, pages = {6461}, type = {Correction}, abstract = {

Correction for {\textquoteleft}Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C-3 symmetric molecule{\textquoteright} by Kilingaru I. Shivakumar et al., Chem. Commun., 2018, 54, 212-215.

}, issn = {1359-7345}, doi = {10.1039/c9cc90229e}, author = {Shivakumar, Kilingaru I. and Goudappagouda and Gonnade, Rajesh G. and Babu, Sukumaran Santhosh and Sanjayan, Gangadhar J.} } @article {46445, title = {Core-composite mediated separation of diverse nanoparticles to purity}, journal = {Soft Matter}, volume = {15}, year = {2019}, month = {OCT}, pages = {7787-7794}, type = {Article}, abstract = {

A generalized method for sorting nanoparticles based on their cores does not exist; it is an immediate necessity, and an approach incorporating cost-effectiveness and biocompatibility is in demand. Therefore, an efficient method for the separation of various mixed core-compositions or dissimilar metallic nanoparticles to their pure forms at the nano-bio interface was developed. Various simple core-combinations of monodispersed nanoparticles with dual cores, including silver plus gold, iron oxide plus gold and platinum plus gold, to the complex three-set core-combinations of platinum plus gold plus silver and platinum plus iron plus gold were sorted using step-gradient centrifugation in a sucrose suspension. Viscosity mediated differential terminal velocities of the nanoparticles permitted diversified dragging at different gradients allowing separation. Stability, purity and properties of the nanoparticles during separation were evaluated based on visual confirmation and by employing advanced instrumentations. Moreover, theoretical studies validated our experimental observations, revealing the roles of various parameters, such as the viscosity of sucrose, the density of the particles and the velocity and duration of centrifugation, involved during the separation process. This remarkably rapid, cost-efficient and sustainable strategy can be adapted to separate other cores of nanoparticles for various biomedical research purposes, primarily to understand nanoparticle induced toxicity and particle fate and transformations in natural biotic environments.

}, issn = {1744-683X}, doi = {10.1039/c9sm01571j}, author = {Bhatt, Chandra S. and Nagaraj, Bharathkumar and Ghosh, Deepanjan and Ramasamy, Sureshkumar and Thapa, Ranjit and Marpu, Sreekar B. and Suresh, Anil K.} } @article {44441, title = {cRGD functionalized nanocarriers for targeted delivery of bioactives}, journal = {Journal of Drug Targeting}, volume = {27}, year = {2019}, month = {FEB}, pages = {111-124}, type = {Article}, abstract = {

The integrins αvβ3 play a very imperative role in angiogenesis and are overexpressed in endothelial cells of the tumor. Recent years have witnessed huge exploration in the field of αvβ3 integrin-mediated bioactive targeting for treatment of cancer. In these studies, the cRGD peptide has been employed extensively owing to their binding capacity to the αvβ3 integrin. Principally, RGD-based approaches comprise of antagonist molecules of the RGD sequence, drug-RGD conjugates, and most importantly tethering of the nanocarrier surface with the RGD peptide as targeting ligand. Targeting tumor vasculature or cells via cRGD conjugated nanocarriers have emerged as a promising technique for delivering chemotherapeutic drugs and imaging agents for cancer theranostics. In this review, primary emphasis has been given on the application of cRGD-anchored nanocarriers for targeted delivery of drugs, imaging agents, etc. for tumor therapy.

}, keywords = {alpha(v)beta(3) integrin receptors, cancer, cRGD, nanocarriers, targeting}, issn = {1061-186X}, doi = {10.1080/1061186X.2018.1473409}, author = {Gajbhiye, Kavita Rai and Gajbhiye, Virendra and Siddiqui, Imtiaz A. and Gajbhiye, Jayant M.} } @article {46344, title = {Crystal engineering for intramolecular pi-pi stacking: effect of sequential substitution of f on molecular geometry in conformationally flexible sulfonamides}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {OCT}, pages = {5665-5678}, type = {Article}, abstract = {

A small library of ten sulfonamide derivatives comprising two aromatic rings was synthesized to investigate the effect of chronological positioning of the F-atom on the intramolecular pi-stacking assembly. The sequential positioning of F atoms was carried out on one of the aromatic rings that is linked to the sulfonamide moiety directly while the other aromatic ring (phenyl or pyridine) is linked by an ethyl spacer with the sulfonamide moiety. The ethyl spacer is provided to achieve the required flexibility so that both aromatic rings can bend to acquire syn conformation facilitated pi-stacking between electron-deficient and electron-rich aromatic rings. The idea was to study the interplay between hydrogen bonding and pi-stacking synthons in the conformationally flexible sulfonamide derivatives. The solid-state conformation of all the derivatives was investigated using the single-crystal X-ray diffraction technique. Crystal structure analysis revealed that the syn conformation was achieved only in trifluoro and pentafluoro sulfonamide derivatives with benzene substitution while in all other derivatives the molecules take either midway or anti conformations. None of the sulfonamide molecules with a pyridine moiety showed syn conformation. It could be because of the involvement of the pyridine N-atom in the hydrogen bonding dimeric synthon. The molecular conformation study in solution state using 2D NOESY and HOESY NMR experiments also substantiated syn conformation in a pentafluoro sulfonamide molecule with benzene substitution. The conformational analysis carried out employing density functional theory (DFT) calculations confirmed higher stability for the syn conformation over midway and anti orientations.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b00667}, author = {Shaikh, Samir R. and Gawade, Rupesh L. and Kumar, Deepak and Kotmale, Amol and Gonnade, Rajesh G. and Stuerzer, Tobias} } @article {46118, title = {Crystalline acylhydrazone photoswitches with multiple mechanical responses}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {MAY}, pages = {3039-3044}, type = {Article}, abstract = {

The advancement of our understanding of stimuli responsive molecular crystals has led to the realization that they hold great yet unexplored potential as adaptive materials. Although molecular crystals that exhibit a single mechanical response to a single input stimulus are now abundant, crystals that are capable of response to multiple stimuli are rather scarce. Here we report two photoswitchable acylhydrazone derivatives, Ac-1 and Ac-2, which respond to light as well as to mechanical force. Upon application of localized mechanical stress, the anhydrous (Ac-1a) and monohydrate (Ac-1h) crystals of Ac-1 undergo plastic shearing deformation and bending, whereas monohydrate crystals of Ac-2 undergo elastic deformation. When they are exposed to UV light, crystals of Ac-1h and Ac-2 undergo photoinduced bending; on the other hand, crystals of Ac-1a and thicker crystals of Ac-2 exhibit photosalient effect (light-induced leaping). It is demonstrated that the synergistic action of multiple stimuli (UV light and force) elicits enhanced mechanical response, and this strategy could be employed in the future to increase the efficacy of single crystal actuators.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.8b01860}, author = {Gupta, Poonam and Panda, Tamas and Allu, Suryanarayana and Borah, Silpisikha and Baishya, Anamika and Gunnam, Anilkumar and Nangia, Ashwini and Naumov, Pance and Nath, Naba K.} } @article {46351, title = {Cubic palladium nanorattles with solid octahedron gold core for catalysis and alkaline membrane fuel cell applications}, journal = {ChemCatChem}, volume = {11}, year = {2019}, month = {SEP }, pages = {4383-4392}, type = {Article}, abstract = {

Herein, we report the synthesis of palladium nanorattles (Au-Pd NRTs) comprising of a gold octahedral core caged within a thin porous cubic palladium shell. The introduction of core-shell and porous architecture was realized by combining seed mediated and galvanic replacement reaction techniques. Next, we examined the catalytic efficiency of the nanocatalyst in comparison with solid palladium nanocube (Pd-NC) of similar size for the degradation of p-nitrophenol and organic dyes. The rate constant of Au-Pd NRTs was found nearly 12 times higher than the Pd-NCs. Further, we exploited our catalyst for electrochemical oxygen reduction reaction (ORR) and observed its high intrinsic ORR activity. Compared with commercialized Pt/C, the Au-Pd NRT displayed nearly comparable onset and half-wave potential values and excellent durability upon potential cycling. The system level validation in a single-cell mode of alkaline exchange membrane fuel cell also confirms the efficiency of the present catalyst to serve as a potential cathode catalyst for realistic device applications.

}, keywords = {alkaline exchange membrane fuel cell, electrocatalysis, nanorattles, ORR, Pd nanoparticle}, issn = {1867-3880}, doi = {10.1002/cctc.201900741}, author = {Singh, Prem and Sonika and Gangadharan, Pranav K. and Khan, Ziyauddin and Kurungot, Sreekumar and Jaiswal, Amit} } @article {46428, title = {Cyanuric-chloride-mediated synthesis of 2-Aryl-3-tert-butoxycarbonyl-thiazolidine-4-carboxylic acid anilides: mechanistic, X-ray crystal structures and cytotoxicity studies}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {NOV }, pages = {12534-12546}, type = {Article}, abstract = {

The {\textquoteleft}2R,4R{\textquoteright}-2-aryl thiazolidine-4-carboxylic acid anilides (ATCAAs) were synthesized using cyanuric chloride (CC) as a clean and substoichiometric acid-amine coupling agent under optimized reaction conditions. The diesterphenol intermediate based mechanism is proposed and supported by spectral characterization of the intermediate. The single crystal X-ray structures of acid substrate (2R,4R)-3-(tert-butoxycarbonyl)-2-(2-methoxyphenyl)thiazolidine-4-carbox ylic acid (3 a) and anilides (R)-tert-butyl 4-(2-fluorophenylcarbamoyl)thiazolidine-3-carboxylate (4 b), (2R,4R)-tert-butyl 2-(2,6-dichlorophenyl)-4-(m-tolylcarbamoyl)thiazolidine-3-carboxylate (6 b) confirmed the formation of chiral anilides. The synthesized library of anilides [(R)-tert-butyl 4-Aryl thiazolidine-3-carboxylate and (2R,4R)-tert-butyl 2-Aryl-4-Aryl thiazolidine-3-carboxylate] 4 a-6 f was screened for their in vitro anti cancer, neuronal and neuroprotective studies. The anilides 4 b, 4 g, 5 d, 5 h, 6 c and 6 f (where the aryl=2-fluorophenylcarbamoyl, 4-chlorophenylcarbamoyl, 2-methoxyphenyl, 2,5-dichlorophenylcarbamoyl, 2,6-dichlorophenyl, 4-chlorophenylcarbamoyl respectively)were found to be less cytotoxic towards N2 A, SHSY-5Y neuronal cell lines in their differentiated and undifferentiated forms, and also exhibited dose dependant anti-inflammatory properties for a possible identification towards neurodegenerative and inflammatory disorders.

}, keywords = {Acid-amine coupling, Cyanuric chloride, Cytotoxicity, Mechanistic investigations, Single crystal x-ray structure}, issn = {2365-6549}, doi = {10.1002/slct.201903000}, author = {Jagtap, Rohidas M. and Shaikh, Samir R. and Gonnade, Rajesh G. and Raheem, Shabnam and Rizvi, Masood A. and Pardeshi, Satish K.} } @article {45582, title = {Data on metabolic profiling of spongy tissue disorder in Mangifera indica cv. Alphonso}, journal = {Data in Brief}, volume = {22}, year = {2019}, month = {FEB}, pages = {145-157}, type = {Article}, abstract = {Data in this article presents aroma volatiles and fatty acids composition of mesocarp specific malady namely spongy tissue disorder in Mangifera indica cv. Alphonso. Quantitative changes in various aroma volatile compound classes as well as saturated and unsaturated fatty acids in spongy tissue vis-{\`a}-vis healthy mesocarp have been analyzed throughout the development of the disorder. Statistical data analysis correlates the dynamic changes in the aroma volatiles composition to that of the modulation in the fatty acids profile.}, doi = {10.1016/j.dib.2018.11.140}, author = {Oak, P. S. and Deshpande, A. B. and Pujari, K. H. and Prabhudesai, S. S. and Giri, A. P. and Gupta, V. S.} } @article {46255, title = {Dendrite growth suppression by Zn2+-integrated nafion ionomer membranes: beyond porous separators toward aqueous Zn/V2O5 batteries with extended cycle life }, journal = {Energy Technology}, volume = {7}, year = {2019}, month = {SEP}, type = {Article}, abstract = {

The dendritic/irregular growth of zinc deposits in the anode surface is often considered as a major intricacy limiting the lifespan of aqueous zinc-ion batteries. The effect of separators on the evolution of the surface morphology of the anode/cathode is never thoroughly studied. Herein, for the first time, the efficacy of the Zn2+-integrated Nafion ionomer membrane is demonstrated as a separator to effectively suppress the growth of irregular zinc deposits in the metallic anode of an aqueous Zn/V2O5 battery. The Zn2+-ions coordinated with the SO3- moieties in Nafion result in a high transference number of the Zn2+ cation, all the while facilitating a high ionic conductivity. The Zn2+-integrated Nafion membrane enables the Zn/V2O5 cell to deliver a high specific capacity of 510 mAh g(-1) at a current of 0.25 A g(-1), which is close to the theoretical capacity of anhydrous V2O5 (589 mAh g(-1)). Moreover, the same cell exhibits an excellent cycling stability of 88\% retention of the initial capacity even after 1800 charge-discharge cycles, superior to that of the Zn/V2O5 cells comprising conventional porous separators.

}, doi = {10.1002/ente.201900442}, author = {Ghosh, Meena and Vijayakumar, Vidyanand and Kurungot, Sreekumar} } @article {46420, title = {Descriptors to predict dye-sensitized semiconductor based photocatalyst for hydrogen evolution reaction}, journal = {ChemCatChem}, year = {2019}, type = {Article; Early Access}, abstract = {

Discovering efficient photocatalysts for hydrogen production from water splitting is highly desirable. Computational studies can help in rational designing of such catalysts through high throughput screening of materials. However, for that purpose one needs to identify descriptors that not only connects material properties with their functionality but are easy and inexpensive to compute. Using a combination of density functional theory based calculations and experiments we show two descriptors, namely, charge injection efficiency and electron hole separation, that can be used for in silico design of new and efficient dye-sensitized-semiconductor composites as catalysts for hydrogen evolution reaction.

}, keywords = {charge injection, descriptor, dye-sensitized semiconductors, electron-hole separation, H-2 evolution}, issn = {1867-3880}, doi = {10.1002/cctc.201901924}, author = {Sappati, Subrahmanyam and George, Leena and Swamy, Vincent Paul and Devi, R. Nandini and Ghosh, Prasenjit} } @article {46125, title = {Design, synthesis and biological evaluation of (E)-5-styryl-1,2,4-oxadiazoles as anti-tubercular agents}, journal = {Bioorganic Chemistry}, volume = {86}, year = {2019}, month = {MAY}, pages = {507-512}, type = {Article}, abstract = {

Cinnamic acid and its derivatives are known for anti-tubercular activity. The present study reports the synthesis of cinnamic acid derivatives via bioisosteric replacement of terminal carboxylic acid with {\textquoteleft}{\textquoteleft}oxadiazole{\textquoteright}{\textquoteright}. A series of cinnamic acid derivatives (styryl oxadiazoles) were designed and synthesized in good yields by reaction of substituted cinnamic acids (2, 15a-15s) with amidoximes. The synthesized styryl oxadiazoles were evaluated in vitro for anti-tubercular activity against Mycobacterium tuberculosis (Mtb) H37Ra strain. The structure-activity relationship (SAR) study has identified several compounds with mixed anti-tubercular profiles. The compound 32 displayed potent anti-tubercular activity (IC50= 0.045 mu g/mL). Molecular docking studies on mycobacterial enoyl-ACP reductase enzyme corroborated well with the experimental findings providing a platform for structure based hit-to-lead development.

}, keywords = {1, 2, 4-Oxadiazole, Anti-tubercular, Bioisosteres, Cinnamic acid, Molecular docking}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2019.01.054}, author = {Upare, Abhay Atmaram and Gadekar, Pradip K. and Sivaramakrishnan, H. and Naik, Nishigandha and Khedkar, Vijay M. and Sarkar, Dhiman and Choudhari, Amit and Roopan, S. Mohana} } @article {46234, title = {Detection of toxic metal ions Pb2+ in water using SiO2@Au core-shell nanostructures: A simple technique for water quality monitoring}, journal = {Chemical Physics Letters}, volume = {732}, year = {2019}, month = {OCT}, type = {Article}, abstract = {

The present paper demonstrates a development of simple, sensitive and selective optical probe for detection of Pb2+ ions in water using monodispersed silica-gold core-shell nanostructures (SiO2@Au NSs). Structural and elemental analysis confirms the phase purity of nanostructures. The SPR studies for SiO2 @Au NSs reveals, linear dynamic range for Pb2+ ions detection, in the concentration range of 100 ppb to 2 ppm, with detection limit of 100 ppb, which is 5 times higher than AuNPs. Cross sensitivity study confirm its selectivity towards Pb2+ ions over other metal ions. XPS analysis shows the interaction of Pb2+ ions with core-shell NPs.

}, doi = {10.1016/j.cplett.2019.136635}, author = {Daware, Krishna and Kasture, Manasi and Kalubarme, Ramchandra and Shinde, Rakesh and Patil, Kashinath and Suzuki, Norihiro and Terashima, Chiaki and Gosavi, Suresh and Fujishim, Akira} } @article {46144, title = {Development and evaluation of taxon-specific primers for the selected Caudovirales taxa}, journal = {Virus Research}, volume = {263}, year = {2019}, month = {APR }, pages = {184-188}, type = {Article}, abstract = {

The phage taxonomy is primarily based on the morphology derived from Transmission Electron Microscopic (TEM) studies. TEM based characterization is authentic and accepted by scientific community. However, TEM based identification is expensive and time consuming. After the phage isolation, before analysis TEM, a DNA based rapid method could be introduced. The DNA based method could dramatically reduce the number of samples analyzed by TEM and thereby increase the speed and reduce the cost of identification. In the present work, four environmental phage isolates were identified based on TEM studies and genome size. The identification of these four phages was validated using DNA based method. The taxon-specific DNA markers were identified through multiple sequence alignments. The primers were designed at conserved genes (DNA polymerase or integrase) of 4 different phage taxa viz. family Ackermannviridae, genus Jerseyvirus, genus T4virus, and genus P22virus. These primers were evaluated using both in vitro and in silico approach for the amplification of the target taxons. Majority of the primer sets were found to amplify member species of the targeted taxa in vitro. In In silico analysis, six primer sets intended for identification of family Ackermannviridae showed positive amplification of \>= 86.7\% classified species. Further, the primers targeting the genus Jerseyvirus and T4virus showed the amplification of 53.8\% and \>= 84.6\% species, respectively. The present work is a case study performed to explore the possibility of use of taxon-specific primers for identification and taxonomic studies of newly isolated phages to supplement the TEM.

}, keywords = {Bacteriophage, DNA markers, Pcr, Primers, Taxonomy, TEM}, issn = {0168-1702}, doi = {10.1016/j.virusres.2019.02.005}, author = {Newase, Sandeep K. and Gupta, Alka and Dastager, Syed G. and Kapadnis, Balu P. and Shashidhar, Ravindranath} } @article {46254, title = { Development of a nano-gold immunodiagnostic assay for rapid on-site detection of invasive aspergillosis }, journal = {Journal of Medical Microbiology}, volume = {68}, year = {2019}, month = {SEP}, pages = {1341-1352}, type = {Article}, abstract = {

Introduction. Timely detection of invasive aspergillosis (IA) caused by fungal pathogens, i.e. Aspergillus fumigatus and Aspergillus flavus, in immunocompromised patients is crucial in preventing high mortality.

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

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

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

Conclusion. The developed nano-gold immunodiagnostic assay has immense potential for practical use in rapid, specific and sensitive on-site diagnosis of IA, even under resource-limited settings.

}, doi = {10.1099/jmm.0.001040}, author = {Raval, Komal M. and Ghormade, Vandana and Rajamohanan, P. R. and Choudhary, Hansraj and Rudramurthy, Shivaprakash M. and Chakrabarti, Arunaloke and Paknikar, Kishore} } @article {46333, title = {Development of pristine and Au-decorated Bi2O3/Bi2WO6 nanocomposites for supercapacitor electrodes}, journal = {RSC Advances }, volume = {9}, year = {2019}, month = {OCT }, pages = {32573-32580}, type = {Article}, abstract = {

Pristine and Au-decorated Bi2O3/Bi2WO6 nanocomposites were synthesized via a facile hydrothermal method. Characterization techniques such as XRD, FESEM, HRTEM and XPS were used to explore the structural, morphological and electronic properties. Furthermore, electrochemical characterizations including cyclic voltammetry (CV), the galvanostatic charge-discharge (GCD) method, and electrochemical impedance spectroscopy (EIS) were performed to investigate the supercapacitance behaviour of the synthesized materials. Interestingly, the Au-decorated Bi2O3/Bi2WO6 nanocomposite showed a higher capacitance of 495.05 F g(-1) (1 M aqueous KOH electrolyte) with improved cycling stability (99.26\%) over 2000 cycles, measured at a current density of 1 A g(-1), when compared to the pristine Bi2O3/Bi2WO6 composite (capacitance of 148.81 F g(-1) and good cycling stability (95.99\%) over 2000 cycles at a current density of 1 A g(-1)). The results clearly reveal that the decoration of the Bi2O3/Bi2WO6 composite with Au nanoparticles enhances its supercapacitance behaviour, which can be attributed to an increase in electrical conductivity, good electrical contact between the electrode and electrolyte, and an increase in effective area. The Au-decorated Bi2O3/Bi2WO6 nanocomposite can be considered as an electrode material for supercapacitor application.

}, doi = {10.1039/c9ra06112f}, author = {Gote, Gorkshnath H. and Pathak, Mansi and More, Mahendra A. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {46315, title = {Devising chemically robust and cationic Ni(II)-MOF with nitrogen-rich micropores for moisture-tolerant CO2 capture: highly regenerative and ultrafast colorimetric sensor for TNP and multiple Oxo-anions in water with theoretical revelation}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {OCT}, pages = {40134-40150}, type = {Article}, abstract = {

Metal-organic frameworks (MOFs) show distinctive superiority for carbon dioxide (CO2) capture and luminescent sensing of toxic pollutants over other materials where combination of both of these properties together with improvement of hydrolytic stability and pore functionality is critical to environmental remediation applications. The Ni(II) framework [Ni-2(mu 2OH)(azdc)(tpim)](NO3)center dot 6DMA center dot 6MeOH (CSMCRI-3) (tpim = 44{\textquoteright}4(2)-(1H-imidazole-245-triyl)tripyridine H(2)azdc = azobenzene-44{\textquoteright}-dicarboxylic acid DMA = dimethylacetamide CSMCRI = Central Salt \& Marine Chemicals Research Institute) encompassing cationic [Ni-2(mu(2)-OH)(CO2)(2)] SBUs is solvothermally synthesized from nitrogen-rich and highly fluorescent organic struts. The noninterpenetrated structure containing free nitrogen atom affixed microporous channels is stable in diverse organic solvents and weakly basic and acidic aqueous solutions. The activated MOF (3a) exhibits strong CO2-framework interaction and extremely selective CO2 adsorption over N-2 (292.5) and CH4 (11.7). Importantly water vapor exposure does not affect the surface area and/or multiple CO2 uptake-release cycles signifying potential of the porous structure for long-term use under humid conditions. Aqueous-phase sensing studies illustrate extremely specific and ultrafast detection of explosive 246-trinitrophenol (TNP) via remarkable fluorescence quenching (K-SV = 1.3 x 10 (5) M-1) with a 0.25 ppm limit of detection (LOD). Furthermore 3a serves as unique luminescent probe for highly discriminative and quick responsive detection of three noxious oxo-anions (Cr2O7 (2-) CrO4 (2-) MnO4-) in water via noteworthy turn-off responses and extreme low LODs (Cr2O7 (2-) 0.9; CrO4 (2-) 0.29; MnO4- 0.25 ppm). It is imperative to stress the outstanding reusability of the MOF toward multicyclic sensing of all four major water contaminants alongside visible colorimetric changes upon individual analyte detection. Mechanistic insights in light of the electron transfer route together with density functional theory calculations portray the influence of pore functionalization in framework-analyte interactions including alternation in energy levels where varying degrees of contribution of energy transfer explicitly authenticates high quenching of the material.

}, keywords = {chemically robust cationic MOF, DFT calculation, fast responsive detection, humid CO2 capture, TNP and oxo-anion sensing}, issn = {1944-8244}, doi = {10.1021/acsami.9b15179}, author = {Goswami, Ranadip and Seal, Nilanjan and Dash, Soumya Ranjan and Tyagi, Anshu and Neogi, Subhadip} } @article {46100, title = {Dexterous route for synthesis of hollow spherical ZnO and ZnO-Ag nanocomposite with superior photocatalytic ability}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {MAY }, pages = {5518-5526}, type = {Article}, abstract = {

Hollow spherical ZnO and hollow ZnO-Ag nanocomposites with variable percentage of loading of Ag content were successfully fabricated through a novel, template free and easily reproducible route. Extensive characterizations were carried out using FTIR, XRD, XPS, BET, TEM and SEM. The hollow morphology of the particle and the composite encouraged a detailed photocatalysis study in comparison to solid commercial ZnO and the corresponding ZnO-Ag composite. The photocatalytic activity of the hollow particle and the composite was assessed monitoring the decolouration of methylene blue dye using UV-Vis absorption spectroscopic technique. An increased surface area for hollow morphology as compared to solid particles established a conspicuous boost in photocatalytic activity.

}, keywords = {excellent photocatalysis, synthesis, template free, ZnO hollow nanoparticles, ZnO-Ag nanocomposite}, issn = {2365-6549}, doi = {10.1002/slct.201900760}, author = {Maity, Jayeta and Bhattacharjee, Gourab and Satpati, Biswarup and Sardar, Debasmita and Ghosalya, Manoj Kumar and Bala, Tanushree} } @article {46322, title = {Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {OCT}, pages = {8853-8857}, type = {Article}, abstract = {

A general strategy for a one-pot stereoselective synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles by reaction of salicylaldehyde, malononitrile and butenolides via a tandem Knoevenagel/Pinner/vinylogous Michael condensation is presented. The beta,gamma-butenolides gave a syn-selective MCR adduct with a dr up to 11.5 : 1. The mechanistic insight into the MCR was obtained by DFT calculations.

}, issn = {1477-0520}, doi = {10.1039/c9ob01345h}, author = {Gupta, Vijay and Sahu, Debashish and Jain, Shailja and Vanka, Kumar and Singh, Ravi P.} } @article {46318, title = {Dimedone-based rigid organic scaffold for organizing symmetrical helical peptide chains.}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {OCT }, pages = {11518-11522}, type = {Article}, abstract = {

We describe herein design, synthesis and conformational investigations of polypeptides attached on a rigid dimedone template. Two identical peptide chains are attached on a single carbon containing dimedone as a scaffold. Dimedone assists in controlling the secondary interactions through strong intramolecular helical C-12 and C-15 membered bifurcated hydrogen bonding on both the peptide chains along with propagating the helical architecture of the peptide chains attached. There exists a C-6 hydrogen bonding for the single stranded peptides attached to dimedone. Extensive structural investigations involving single crystal X-ray diffraction, solution-state NMR and CD studies of oligopeptides have been undertaken.

}, keywords = {dimedone, Helical, hydrogen bonding, Peptides, template}, issn = {2365-6549}, doi = {10.1002/slct.201903087}, author = {Madica, Krishnaprasad and Lakshmi, Jerripothula K. and Madhu, Suresh and Nadimpally, Krishna Chaitanya and Gonnade, Rajesh and Jagadeesh, Bharatam and Sanjayan, Gangadhar J.} } @article {46437, title = {Dinitrogen activation on graphene anchored single atom catalysts: local site activity or surface phenomena}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {NOV}, pages = {27492-27500}, type = {Article}, abstract = {

Catalysis on two-dimensional (2D) substrates with metal clusters or centers is generally dealt with as a surface phenomenon under the conjecture that the delocalized electron density is the driving force. When single atom catalysts (SACs) are anchored on such materials with delocalized electron density, for instance graphene, the stimulant for catalysis may be either the d-electrons on the metal or the system altogether. To understand the contributing factors of catalysis on such systems, a case study of dinitrogen (N-2) activation on Mo anchored graphene has been made by employing periodic and finite models of graphene. The periodic model represents a continuum of SACs anchored periodically on graphene, while the finite models are graphene nanoflakes of varying sizes and edge orientations. In addition to the physical aspects, such as size/finiteness of graphene, the influence of varying chemical compositions of the substrate on the activity is also evaluated by doping graphene with different B and N concentrations. This study, while clearly bringing out the connotation of regulating atomic composition of graphene substrate for dinitrogen activation, also surprisingly unveils the relative insignificance of varying the size and edge effects of the substrate. These features are highlighted through an analysis of red shift in the N-N stretching frequency, charge transfer to dinitrogen from the catalytic system, and structural and electronic characteristics of the catalytic system. The total and projected density of states plots reveal hybridization between the metal d orbitals and the p orbitals of carbon and nitrogen in the valence band. On the other hand, the frontier molecular orbital analysis also depicts a strong chemisorption of dinitrogen with the metal-graphene supports on account of direct hybridization between the d orbitals of the supported metal atom and the p orbitals of dinitrogen. The Bader and Lowdin charge distribution on the adsorbed dinitrogen in periodic and finite models shows the preeminence of local site over the surface activity.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.9b06757}, author = {Maibam, Ashakiran and Govindaraja, Thillai and Selvaraj, Kaliaperumal and Krishnamurty, Sailaja} } @article {46190, title = {Direct solar-to-hydrogen generation by quasi-artificial leaf approach: possibly scalable and economical device}, journal = {Journal of Materials Chemistry A}, volume = {7}, year = {2019}, month = {FEB}, pages = {3179-3189}, type = {Article}, abstract = {

Often, a disadvantage in one area of science may become an advantage in another area. In contrast, a successful concept in one area could work for a complementary area of research too. These two philosophies have been successfully used for solar hydrogen generation and they underscore the necessity to connect relevant concepts. We, herein, report a quasi-artificial leaf (QuAL) device in a wireless configuration with a TiO2/Mn-CdS composite and NiCu as a co-catalyst for possibly scalable as well as commercially viable solar hydrogen production under one sun conditions. The device works at no applied potential and generates 10.5 mL h(-1) (16 mL h(-1)) H-2 with Ni5Cu2.5 alloy (Pt) as a co-catalyst, which corresponds to a power conversion efficiency (PCE) of 4.8\% (7.3\%). The significant resemblance of NiCu alloy to Pt in terms of its electrochemical activity and electronic structure makes the device more economical. While the millisecond lifetime of electrons in Mn-CdS is known to help for white light emission, the same factor helps to greatly improve charge utilization for H-2 production in the QuAL device. In contrast, the reabsorption of emitted light is a vexing problem in emission applications; however in the present work, reabsorption is successfully utilized to enhance hydrogen yield. Spectroscopy techniques combined with electrocatalytic studies were employed and the results correlated with solar hydrogen generation, demonstrating this as a new pathway to design better solar-light-harvesting architectures.

}, issn = {2050-7488}, doi = {10.1039/c8ta11307f}, author = {Patra, Kshirodra Kumar and Bharad, Pradnya Arunrao and Jain, Vanshika and Gopinath, Chinnakonda S.} } @article {46104, title = {Direct thermal polymerization approach to N-rich holey carbon nitride nanosheets and their promising photocatalytic H-2 evolution and charge-storage activities}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {7}, year = {2019}, month = {MAY }, pages = {9428-9438}, type = {Article}, abstract = {

Energy conversion and energy storage are two crucial challenges in green chemistry that have attracted tremendous attention for the last several decades. In this work, we have addressed both issues by synthesizing nitrogen-rich, few-layer-thick holey graphitic carbon nitride (g-C3N4) nanosheets by a simple, novel, direct thermal polymerization method, which is found to be very good in photocatalytic H-2 evolution reaction (energy-conversion) and charge-storage supercapacitor (energy-storage) applications. This as-synthesized conjugated polymer semiconductor (obtained stoichiometry C3N4.8) with unique structural and morphological advantages exhibits superior photocatalytic water splitting activity to H-2 evolution (2 620 mu mol h(-1) g(-1)) without the help of any cocatalysts under visible light in the presence of 20\% triethanolamine (TEOA). The calculated apparent quantum yield is 8.5\% at 427 nm, and the rate of photocatalytic hydrogen generation remained constant for nine consecutive catalytic cycles (9 h photocatalysis). The present material also shows electrochemical double layer capacitor (EDLC) behavior in alkaline electrolyte, where a symmetric coin cell device consisting of this electrode material without any large area support or conductive filler delivers high specific capacitance (275 F g(-1)), energy density (30 Wh kg(-1)), and power density (6651 W kg(-1)), and the supercapacitor cell can retain \>98\% capacitance efficiency up to 10 000 measured cycles at various current densities.

}, keywords = {g-C3N4, Hydrogen evolution, nanosheets, Photocatalyst, supercapacitor, water splitting}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.9b00626}, author = {Antil, Bindu and Kumar, Lakshya and Reddy, K. P. and Gopinath, C. S. and Deka, Sasanka} } @article {46145, title = {Dry reforming of methane in DBD plasma over Ni-based catalysts: influence of process conditions and support on performance and durability}, journal = {Energy Technology}, volume = {7}, year = {2019}, month = {APR}, pages = {1801008}, type = {Article}, abstract = {

The conversion of greenhouse gases, H-2 and CO selectivity, H-2/CO ratio, and carbon formation in the dry reforming reaction over Ni-supported ZSM-5, Al2O3, and TiO2 are tested under thermal, plasma, and plasma-thermal conditions. It is observed that the dielectric nature, specific surface area, and acid-base properties of the support influence the performance during the DRM reaction. Typical results indicate that the best activity and syngas yield are achieved with 15Ni/Al2O3 under plasma conditions, possibly due to the high dielectric constant and surface area of Al2O3 and nanosize of Ni. In the thermal condition, the highest conversion of 73\% and 68\% for CH4 and CO2, respectively, is achieved over 15Ni/ZSM-5 at 500 degrees C. Plasma-assisted thermal conditions provide the highest conversion due to the activation of reactants and their partial conversion in the plasma zone before entering into the catalytic zone. The plasma-assisted thermocatalytic conversions of CH4 and CO2 reach the best values of 76\% and 71\%, respectively, on 15Ni/ZSM-5. Under the same conditions, 68\% and 65\% conversion of CH4 and CO2, respectively, is achieved with 15Ni/Al2O3 where the selectivity for H-2 and CO is 45\% and 58\%, respectively.

}, keywords = {DBD plasma, Dry reforming, reaction conditions, supported catalysts, Syngas}, issn = {2194-4288}, doi = {10.1002/ente.201801008}, author = {Ray, Debjyoti and Nepak, Devadutta and Janampelli, Sagar and Goshal, Partha and Subrahmanyam, Ch} } @article {46210, title = {Effect of media components and growth conditions for improved linoleic acid production by beauveria species}, journal = {Journal of the American Oil Chemists Society}, volume = {96}, year = {2019}, month = {AUG}, pages = {945-954}, type = {Article}, abstract = {

Beauveria species are well-known insect pathogenic fungi, and Beauveria bassiana is used as a biopesticide against various pests in agriculture. However, the Beauveria species has not been reported as producers of microbial oils. In this study, Beauveria spp. MTCC 5184 was used to produce microbial oil with high linoleic acid (LA) content. Ten experiments were performed to evaluate the effects of several media parameters, such as carbon and nitrogen sources, pH, various concentrations of carbon and nitrogen, growth duration, and oleic acid (OLA) supplementation for maximum LA and dry biomass production by the fungus. Several of these parameters had a significant impact on the production of LA, as well as dry biomass. The glucose yeast extract (GYE) medium supplemented with 1.5\% (w/v) peptone yielded maximum LA (0.32 +/- 0.01 g L-1) and biomass (5.51 +/- 0.26 g L-1). However, through the addition of 1.0\% (w/v) OLA, the precursor of LA, LA production was enhanced 12-fold (1.24 +/- 0.03 g L-1), and the biomass production increased by 5-fold (11.05 +/- 0.46 g L-1) in comparison to those in the basal (GYE) medium. Using lactose as the sole carbon source produced the lowest LA (0.05 +/- 0.00 g L-1) and biomass (1.04 +/- 0.10 g L-1). The results of this study will be useful for the commercial exploitation of this fungus for the production of LA-rich microbial oil for use in the production of lubricants, greases, paints, cosmetics, etc.

}, doi = {10.1002/aocs.12252}, author = {Sanghi, Smrati and Chirmade, Tejas and More, Snehal and Prabhune, Asmita and Gupta, Vidya and Kadoo, Narendra} } @article {46447, title = {Effect of substitution on the excited state photophysical and spectral properties of boron difluoride curcumin complex dye and their derivatives: a time dependent-DFT study}, journal = {Journal of Photochemistry and Photobiology B-Biology}, volume = {199}, year = {2019}, month = {OCT}, pages = {111595}, type = {Article}, abstract = {

The optical, charge transport and electronic properties of boron difluoride curcumin (BFC) complex have been explored using the DFT (Density Functional Theory) method and B3LYP functional with the combination of 6-31 + G(d,p) as a basis set. The influence of substitution with various electron releasing and withdrawing groups on the above properties is analyzed and discussed in this work. The results reveal that the BFC complex on additional electron releasing substitution experiences redshifts in the optical transitions, and this is correlated with the dipole moment, NBO charges, HOMO-LUMO energy gap. Further, the absorption (lambda(abs)) and emission (lambda(ems)) spectra of substituted and unsubstituted BFCs are calculated using Time-Dependent Density Functional Theory (TD-DFT). The results show that the electron releasing groups strongly influence the absorption and emission spectra of BFC. Electron releasing groups in BFC derivatives generate the wavelength shift (Bathochromic), but the electron-withdrawing groups in BFC don{\textquoteright}t affect the lambda(abs) and lambda(ems) when compare to its original (parent) compound. The output of the research work strongly recommends that the amino, phenyl and N, N{\textquoteright}-dimethylamino derivatives are potential candidates to act as fluorescent materials due to enhance the emission behavior of BFC and also can be used as an electron/charge transport material for organic light-emitting diodes (OLEDs).

}, keywords = {Absorption, Boron difluoride curcumin, Emission, Molecular orbitals, Time-dependent density functional theory}, issn = {1011-1344}, doi = {10.1016/j.jphotobiol.2019.111595}, author = {Selvam, Karthick and Gandhi, Sivaraman and Krishnarnurty, Sailaja and Gopalakrishnan, Gopu} } @article {46138, title = {Efficient broad-band emission from contorted purely corner-shared one dimensional (1D) organic lead halide perovskite}, journal = {Chemistry of Materials}, volume = {31}, year = {2019}, month = {APR }, pages = {2253-2257}, type = {Article}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.9b00069}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Shaikh, Samir R. and Shinde, Aparna and Lohar, Amruta and Jena, Satyam and Gonnade, Rajesh G. and Kundu, Janardan} } @article {46312, title = {Efficient synthesis of optically active neolignans ligraminol D and E}, journal = {Synthesis-Stuttgart}, volume = {51}, year = {2019}, month = {NOV}, pages = {4291-4295}, type = {Article}, abstract = {

Efficient syntheses of optically active neolignans ligraminol D and E were achieved in four simple steps starting from easily available chiral benzyl glycidyl ethers. The products were obtained in good overall yields and high enantioselectivities. The protocol might also be useful in the synthesis of other ligraminols or related neolignans.

}, keywords = {benzyl glycidyl ether, Epoxide, lignan, ligraminol, Mitsunobu}, issn = {0039-7881}, doi = {10.1055/s-0037-1611919}, author = {Ghotekar, Ganesh S. and Mujahid, M. and Muthukrishnan, M.} } @article {46350, title = {Electronic integration and thin film aspects of Au-Pd/rGO/TiO2 for improved solar hydrogen generation}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {SEP}, pages = {32869-32878}, type = {Article}, abstract = {

In the present work, we have synthesized noble bimetallic nanoparticles (Au-Pd NPs) on a carbon-based support and integrated with titania to obtain Au-Pd/C/TiO2 and Au-Pd/rGO/TiO2 nanocomposites using an ecofriendly hydrothermal method. Here, a 1:1 (w/w) Au-Pd bimetallic composition was dispersed on (a) high-surface-area (3000 m(2) g(-1)) activated carbon (Au-Pd/C), prepared from a locally available plant source (in Assam, India), and (b) reduced graphene oxide (rGO) (Au-Pd/rGO); subsequently, they were integrated with TiO2. The shift observed in Raman spectroscopy demonstrates the electronic integration of the bimetal with titania. The photocatalytic activity of the above materials for the hydrogen evolution reaction was studied under 1 sun conditions using methanol as a sacrificial agent in a powder form. The photocatalysts were also employed to prepare a thin film by the drop-casting method. Au-Pd/rGO/TiO2 exhibits 43 times higher hydrogen (H-2) yield in the thin film form (21.50 mmol h(-1) g(-1)) compared to the powder form (0.50 mmol h(-1) g(-1)). On the other hand, Au-Pd/C/TiO2 shows 13 times higher hydrogen (H-2) yield in the thin film form (6.42 mmol h(-1) g(-1)) compared to the powder form (0.48 mmol h(-1) g(-1)). While powder forms of both catalysts show comparable activity, the Au-Pd/rGO/TiO2 thin film shows 3.4 times higher activity than that of Au-Pd/C/TiO2. This can be ascribed to (a) an effective separation of photogenerated electron-hole pairs at the interface of Au-Pd/rGO/TiO2 and (b) the better field effect due to plasmon resonance of the bimetal in the thin film form. The catalytic influence of the carbon-based support is highly pronounced due to synergistic binding interaction of bimetallic nanoparticles. Further, a large amount of hydrogen evolution in the film form with both catalysts (Au-Pd/C/TiO2 and Au-Pd/rGO/TiO2) reiterates that charge utilization should be better compared to that in powder catalysts.

}, keywords = {bimetal, Photocatalysis, surface plasmon resonance, TiO2, water splitting}, issn = {1944-8244}, doi = {10.1021/acsami.9b07070}, author = {Tudu, Bijoy and Nalajala, Naresh and Reddy, Kasala P. and Saikia, Pranjal and Gopinath, Chinnakonda S.} } @article {46122, title = {Electrospun polycaprolactone/hydroxyapatite/ZnO nanofibers as potential biomaterials for bone tissue regeneration}, journal = {Journal of Materials Science-Materials In Medicine}, volume = {30}, year = {2019}, month = {MAY}, pages = {51}, type = {Article}, abstract = {

Fabricating a bioartificial bone graft possessing structural, mechanical and biological properties mimicking the real bone matrix is a major challenge in bone tissue engineering. Moreover, the developed materials are prone to microbial invasion leading to biomaterial centered infections which might limit their clinical translation. In the present study, biomimetic nanofibrous scaffolds of Poly -caprolactone (PCL)/nano-hydroxyapatite (nHA) were electrospun with 1wt\%, 5wt\%, 10wt\%, 15wt\% and 30wt\% of zinc oxide (ZnO) nanoparticles in order to understand the optimal concentration range of (ZnO) nanoparticles balancing both biocompatibility and osteoregeneration. The developed nanofibrous scaffolds were successfully characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray analysis (EDAX), contact angle, fourier transform infrared spectroscopy (FTIR), wide-angle X-Ray diffraction (WAXD), brunaueremmett Teller (BET) surface area and tensile testing. Biocompatibility of the developed scaffolds at in vitro level was evaluated by culturing MG-63 cells and investigating the impact on cell viability, proliferation, protein adsorption, alkaline phosphatase (ALP) activity and biomineralization. The PCL/nHA scaffolds exhibited a 1.2-fold increase in cell viability and proliferation, while incorporation of ZnO nanoparticles to PCL/nHA imparted antimicrobial activity to the scaffolds with a progressive increase in the antimicrobial efficacy with increasing ZnO concentration. The results of cell viability were supported by ALP activity and mineralization assay, wherein, PCL/nHA/ZnO scaffolds showed higher ALP activity and better mineralization capacity as compared to pristine PCL. Although, the PCL/nHA/ZnO scaffolds with 10, 15 and 30wt\% of ZnO particles exhibited superior antimicrobial efficacy against both gram-negative (E. coli) and gram-positive (S. aureus) bacteria, a significant decrease in the cell viability and mechanical properties was observed at higher concentrations of ZnO namely 15 and 30\%. Amongst the various ZnO concentrations studied optimal cell viability, antimicrobial effect and mechanical strength were observed at 10wt.\% ZnO concentration. Thus, the present study revealed that the biomimetic tri-component PCL/nHA/ZnO scaffolds with ZnO concentration range of10\% could be ideal for achieving optimal biocompatibility (cell proliferation, biomineralization, and antimicrobial capacity) and mechanical stability thus making it a promising biomaterial substrate for bone tissue regeneration. [GRAPHICS] .

}, issn = {0957-4530}, doi = {10.1007/s10856-019-6255-5}, author = {Shitole, Ajinkya A. and Raut, Piyush W. and Sharma, Neeti and Giram, Prabhanjan and Khandwekar, Anand P. and Garnaik, Baijayantimala} } @article {46090, title = {Embedding S=1/2 Kagome-like lattice in reduced graphene oxide}, journal = {Journal of Physical Chemistry Letters}, volume = {10}, year = {2019}, month = {JUN }, pages = {2663-2668}, type = {Article}, abstract = {

An elegant platform to explore frustrated magnetism is the kagome spin lattice. In this work, clinoatacamite, a naturally occurring S = 1/2 kagome-like antiferromagnetic insulator, is synthesized in water at ambient pressure for the first time from a cuprous chloride (CuCl) precursor whereby Cu(I) was spontaneously oxidized to Cu(II) in the form of clinoatacamite [Cu-2(OH)(3)Cl] with a simultaneous reduction of graphene oxide (GO) to reduced graphene oxide (rGO) in one pot. A stable nanocomposite of phase-pure clinoatacamite nanocrystals embedded in the rGO matrix was isolated. The clinoatacamite-rGO nanocomposite was determined to be magnetically active with a markedly enhanced coercive field of similar to 2500 Oe at S K as well as electronically active with a conductivity value of similar to 200 S.m(-1) at 300 K. Our results illustrate an avenue of combining exotic magnetic and electronic lattices without impeding their individual characteristics and synergistically generating a new class of magnetic semiconductors.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.9b00839}, author = {Gupta, Kriti and Jha, Plawan Kumar and Dadwal, Arun and Debnath, Anil K. and Jaiswal, Ishan and Rana, Shammi and Joy, Pattayil A. and Ballav, Nirmalya} } @article {46435, title = {Enantioselective formal total synthesis of (-)-quinagolide}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {NOV}, pages = {9089-9093}, type = {Article}, abstract = {

The enantioselective formal total synthesis of (-)-quinagolide has been accomplished in a linear sequence of 8 purification steps from pyridine. The key steps are (a) organocatalyzed Diets-Alder reaction for fixing all three stereocenters on piperidine ring; (b) protecting group enabled deoxygenation of isoquinuclidine skeleton under Birch reduction condition; (c) Lewis acid (TiCl4) catalyzed intramolecular Friedel-Crafts cyclization of dicarboxylic acid; and (d) one-pot diastereoselective ketone reduction-intramolecular cyclization to form oxazolidinone which enables trans-geometry installation. During the course of the synthesis, an interesting reductive cleavage of the C-N bond in the electron-deficient isoquinuclidine skeleton under the Birch reduction conditions has been observed. This is the first synthetic effort to access the core skeleton of (-)-quinagolide.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b03477}, author = {Chavan, Subhash P. and Kadam, Appasaheb L. and Gonnade, Rajesh G.} } @article {45576, title = {Enhanced energy density and stability of self-assembled cauliflower of Pd doped monoclinic WO3 nanostructure supercapacitor}, journal = {Materials Chemistry and Physics}, volume = {225}, year = {2019}, month = {MAR}, pages = {192-199}, type = {Article}, abstract = {Enhanced electrochemical performance of WO3 nanostructures by engineering their morphology, structural and surface defect at nanoscale is feasible. Herein we report the effect of Pd doping on the morphological and electrochemical properties of WO3 at nanoscale prepared by a simple hydrothermal method. The synthesized pristine WO3 (cabbage like morphology) and Pd doped WO3 (cauliflower like morphology) are examined by using XRD, XPS, Raman spectra, BET, FE-SEM, TEM. The morphological investigation shows the effective rebuilding of nanosheets assembled cabbage shaped pristine WO3 into nanobricks assembled cauliflower shaped Pd doped WO3 with improvement in crystallinity, surface area and conductivity. As a result, the enhancement in the electrochemical performance of cauliflower shaped Pd-WO3 is recorded four times higher specific capacitance than pristine WO3. Additionally, the excellent cyclic stability (almost ten times higher than pristine WO3) up to 1100 cycles with nearly 86.95\% capacity retention is observed in Pd-WO3 attributed to Pd content and highly modified structural arrangement.}, doi = {10.1016/j.matchemphys.2018.12.077}, author = {Gupta, S. P. and Patil, V. B. and Tarwal, N. L. and Bhame, S. D. and Gosavi, S. W. and Mulla, I. S. and Late, D. J. and Suryavanshi, S. S. and Walke, P. S.} } @article {46147, title = {Epoxidation of karanja (Millettia pinnata) oil methyl esters in the presence of hydrogen peroxide over a simple niobium-containing catalyst}, journal = {Catalysts}, volume = {9}, year = {2019}, month = {APR}, pages = {344}, type = {Article}, abstract = {

The synthesis, characterization and catalytic performance of a conceptually simple, novel NbOx-SiO2 catalyst are here described. The niobium(V)-silica catalyst was prepared starting from cheap and viable reactants, by alkaline deposition of NH4Nb(C2O4)(2)H2O in the presence of fructose as a stabilizer and subsequent calcination. The NbOx-SiO2 solid (0.95 Nb wt.\%) was tested in the liquid-phase epoxidation with aqueous hydrogen peroxide of methyl oleate, as a model substrate. It was then tested in the epoxidation of a mixture of methyl esters (FAMEs) obtained by transesterification with methanol and purification of karanja oil, extracted from the autochthonous Indian variety of Millettia pinnata tree. The catalyst showed a promising performance in terms of methyl oleate conversion (up to 75\%) and selectivity to epoxide (up to 82\%). It was then tested on the FAME mixture from karanja oil, where interesting conversion values were attained (up to 70\%), although with lower selectivities and yields to the mixture of desired epoxidized FAMEs. The solid withstood four catalytic cycles overall, during which a non-negligible surface reorganization of the Nb(V) sites was observed. However, this restructuring did not negatively affect the performance of the catalysts in terms of conversion or selectivity.

}, keywords = {epoxidation, fatty acid methyl esters, heterogeneous catalysis, Hydrogen peroxide, karanja oil, mesoporous silica catalyst, Millettia pinnata, niobium catalysts}, issn = {2073-4344}, doi = {10.3390/catal9040344}, author = {Scotti, Nicola and Ravasio, Nicoletta and Evangelisti, Claudio and Psaro, Rinaldo and Penso, Michele and Niphadkar, Prashant S. and Bokade, Vijay V. and Guidotti, Matteo} } @article {46078, title = {Evidence of nitrite acting as a stable and robust inducer of non-cultivability in Mycobacterium tuberculosis with physiological relevance}, journal = {Scientific Reports}, volume = {9}, year = {2019}, month = {JUN }, pages = {9261}, type = {Article}, abstract = {

Tuberculosis (TB) is the ninth leading cause of death worldwide, ranking above human immunodeficiency virus. Latency is the major obstacle in the eradication of this disease. How the physiology of the pathogen changes in transition to the latent stage needs to be understood. The latent bacteria extracted from animal hosts exist in a nonculturable (NC) phase, whereas bacteria extracted from most in vitro models are culture-positive. In the present study, we observed that nitrite, up to a concentration of 5 mM, shows the growth of Mycobacterium tuberculosis (MTB) in liquid media, but this effect starts reversing at higher concentrations. At a concentration of 10 mM, nitrite induces rapid nonculturability of MTB at the aerobic stage. This noncultivable dormancy was confirmed by analyzing the characteristics of NC bacteria. Further differential gene expression analyses clearly supported the formation of a dormancy phenotype. This study will be helpful for the use of this bacillus as a dormancy model in future studies on TB latency.

}, issn = {2045-2322}, doi = {10.1038/s41598-019-45652-8}, author = {Gample, Suwarna P. and Agrawal, Sonia and Sarkar, Dhiman} } @article {46266, title = {Experimental and density functional theory investigations of catechol sensing properties of ZnO/RGO nanocomposites}, journal = {Applied Surface Science}, year = {2019}, month = {NOV}, type = {Article}, abstract = {

Catechol, an essential industrial feedstock is one of the major environmental pollutant which causes several health issues including skin irritation, eye damage and genetic defects. In this work, we have investigated the catechol sensing performance of ZnO/RGO composites for its quantitative detection. ZnO/RGO composite showed superior electron transfer kinetics, sensitivity (162.04 mu A mM cm(-2)) and lower detection limit (47 nM) than that of bare ZnO nanoparticles. Further, the change in the zeta potential towards the lower negative demonstrated the strong electrostatic interaction between ZnO-RGO and catechol where it is converted as 1, 2 Benzoquinone through redox reactions. By using state of the art of Density Functional Theory simulations, we have demonstrated the interaction of catechol molecule on various ZnO clusters and RGO supported ZnO clusters. The strong bonding between p orbital of O atom of catechol and d orbital of Zn atom and its charge transfer facilitate the oxidation of catechol molecule. In the presence of RGO, the binding energy of catechol and charge transfer increases which qualitatively infer that RGO/ZnO exhibits higher sensitivity compared to bare ZnO and in consistency with the experimental observations.

}, doi = {10.1016/j.apsusc.2019.143588}, author = {Ponnusamy, Rajeswari and Venkatesan, Rajiu and Gangan, Abhijeet and Samal, Rutuparna and Chakraborty, Brahmananda and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {47159, title = {Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole}, journal = {Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials}, volume = {75}, year = {2019}, month = {DEC}, pages = {942-953}, type = {Article}, abstract = {

Metronidazole is a radiosensitizer; it crystallizes in the monoclinic system with space group P2(1)/c. The crystal structure of metronidazole has been determined from high-resolution X-ray diffraction measurements at 90 K with a resolution of (sin 0/lambda) max = 1.12 angstrom(-1). To understand the charge-density distribution and the electrostatic properties of metronidazole, a multipole model refinement was carried out using the Hansen-Coppens multipole formalism. The topological analysis of the electron density of metronidazole was performed using Bader{\textquoteright}s quantum theory of atoms in molecules to determine the electron density and the Laplacian of the electron density at the bond critical point of the molecule. The experimental results have been compared with the corresponding periodic theoretical calculation performed at the B3LYP/6-31G** level using CRYSTAL09. The topological analysis reveals that the N-O and C-NO2 exhibit less electron density as well as negative Laplacian of electron density. The molecular packing of crystal is stabilized by weak and strong inter- and intramolecular hydrogen bonding and H center dot center dot center dot H interactions. The topological analysis of O-H center dot center dot center dot N, C-H center dot center dot center dot O and H center dot center dot center dot H intra- and intermolecular interactions was also carried out. The electrostatic potential of metronidazole, calculated from the experiment, predicts the possible electrophilic and nucleophilic sites of the molecule; notably, the hydroxyl and the nitro groups exhibit large electronegative regions. The results have been compared with the corresponding theoretical results.

}, keywords = {atomic valence index, Electron density, Electrostatic potential, intermolecular interactions, metronidazole, radiosensitizer}, doi = {10.1107/S2052520619011272}, author = {Kalaiarasi, Chinnasamy and George, Christy and Gonnade, Rajesh G. and Hathwar, Venkatesha R. and Poomani, Kumaradhas} } @article {46149, title = {Exploring the potential of Desmodium gangeticum (L.) DC. extract against spatial memory deficit in rats}, journal = {Pharmacognosy Magazine}, volume = {15}, year = {2019}, month = {APR}, pages = {78-83}, type = {Article}, abstract = {

Background: A few published reports demonstrated the neuroprotective effect of Desmodium gangeticum (L.) DC. in an acute model of dementia. Objective: The purpose of the present study was to evaluate the preclinical efficacy of D. gangeticum against chronic dementia when administered prophylactically. Materials and Methods: Chronic spatial memory deficit was induced in rats by aluminum chloride (AlCl3, 10 mg/kg, i.p.). Treatment with hydroalcoholic whole plant extract of D. gangeticum (DG extract) was initiated 2 week before AlCl3 challenge and continued till the 51(st) day after the challenge, orally at the dose of 400 mg/kg/day. The spatial memory was assessed by Morris water maze test. Hippocampal and frontal cortex acetyl cholinesterase (AChE) and oxidative stress were assessed in diseased rat brains. Results: Chronic administration of AlCl3 produced spatial memory deficit in rats. Memory impairment was manifested in rats as an increase in escape latency and D-quadrant latency whereas a decrease in total time spent in D-quadrant. These behavioral alterations were reversed significantly by the treatment with DG extract. In addition, DG extract significantly increased the island time, indicating memory improvement. DG extract corrected the declined AChE in frontal cortex and altered frontal cortex/hippocampus catalase activity. Phytochemical investigation of the DG extract revealed large content of saponins among the other phytochemicals such as tannins, alkaloids, and flavonoids. Conclusion: These results indicate the possible prophylactic potential of saponin-rich DG extract against chronic memory deficit in rats.

}, keywords = {Acetyl cholinesterase, Aluminum chloride, dementia, Desmodium gangeticum (L) DC, Oxidative stress}, issn = {0973-1296}, doi = {10.4103/pm.pm_501_18}, author = {Changdar, Nilanjan and Ganjhu, Rajesh Kumar and Rijal, Samita and Kumar, Ayush and Mallik, Shanchari Basu and Nampoothiri, Madhavan and Shenoy, Rekha R. and Sonawane, Kiran B. and Rao, Mallikarjuna C. and Mudgal, Jayesh} } @article {46132, title = {Fe(III)-Catalyzed diastereoselective friedel-crafts alkylation-hemiketalization-lactonization cascade for the synthesis of polycyclic bridged 2-chromanol lactones}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {APR }, pages = {2629-2633}, type = {Article}, abstract = {

An unprecedented Fe(III)-catalyzed Friedel-rafts alkylation-hemiketalization-lactonization cascade of electron-rich hydroxy arenes and distinctively functionalized unsaturated 4-keto esters is developed for the construction of polycyclic bridged 2-chromanol lactones. Following this simple and facile protocol, a broad range of products was prepared in good to excellent yields as a single diastereomer. An unusual conglomerate (enantiomerically pure polymorph) of 3ac is reported along with the absolute stereochemistry, and the remaining products were rigorously confirmed by single-crystal X-ray analysis and analogy.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b00614}, author = {Borade, Balasaheb R. and Nomula, Rajesh and Gonnade, Rajesh G. and Kontham, Ravindar} } @article {46355, title = {Ferets diameter estimation of activated carbon for effluent treatment application}, journal = {Journal of the Indian Chemical Society}, volume = {96}, year = {2019}, month = {AUG}, pages = {1067-1074}, type = {Article}, abstract = {

In this paper, activated carbon was produced of by chemical activation with phosphoric acid of agricultural wastes such as Arecanut shell of 25 micronmeter at 400 degrees C by slow pyrolysis. The BET surface area and iodine number surface area is calculated and compared. The FTIR spectra show the presence of activated carbon. The TGA revealed, activated carbon is thermally stable at 480 degrees C. The SEM shows the incorporation of activated carbon particles leads to the systematic change in morphology of activated carbon. Surface area plot shows the details of morphological change caused by iodine number surface area. Ferets diameter is estimated to know circularity of the particle. Methylene blue number, acid adsorption value is calculated to know adsorption capacity of the carbon. Thus results proves selection of ferets diameter, activation temperature, and impregnation ratio is important in determining the quality of activated carbon obtained and its use in industrial waste water treatment.

}, keywords = {activated carbon, Arecanut shell, Phosphoric acid, teret diameter}, issn = {0019-4522}, author = {Jadhav, Abhijit and Mohanraj, Govindraj and Gokarn, Ashok and Mayadevi, Susheeladevi} } @article {47153, title = {Fluorescent carbon-dots thin film for fungal detection and bio-labeling applications}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {NOV}, pages = {5829{\textendash}5840}, type = {Article}, abstract = {

The fluorescence properties of CDs, such as high quantum yield, tunability of emission color, and so on, make a strong potential material in various fields. These applications are mainly derived from in situ formation of surface functional groups, high chemical stability, biocompatibility, and easy interaction with substrates, etc. Mostly, the research applications of CDs concentrate on the labeling of biological species, drug delivery, and sensing in consequent biomedical applications. However, the detection of the fungal species/spores present in the environment by using CDs is rarely reported. Herein, we demonstrate CDs-based thin film as a sensor for detection of fungal spores from the environment. The procedure of detection is based on fluorescence, observed in the film of carbon dots deposited on quartz plates by using the Blodgett technique. It is observed that the CDs film shows quenching in the fluorescence intensity by the substrate, namely, fungal spores{\textquoteright} (Aspergillus niger, Penicillium chrysogenum, Alternaria alternata). The effective features of the present detector system are easy fabrication, low cost, high stability, and a green and economical procedure of synthesis. The process of detecting fungal spores even at low concentration from the atmosphere is relatively fast when compared to presently used methods. Finally, real-world feasibility of the sensor film is tested by its successful application for the determination of the presence fungal spores in the environment. Furthermore, CDs have been also successfully applied for the bio-labeling of Staphylococcus aureus (Gram-positive) and Escherichia coli (Gram-negative) bacterial systems.

}, author = {Gaikwad, Aarti and Joshi, Meenal and Patil, Kashinath and Sathaye, Shivaram and Rode, Chandrashekhar V.} } @article {47484, title = {Global study of MFS superfamily transporters in arabidopsis and grapes reveals their functional diversity in plants}, journal = {Plant Gene}, volume = {18}, year = {2019}, month = {JUN }, type = {Article}, abstract = {The Major Facilitator Superfamily (MFS) is the largest superfamily of secondary transporters present in all organisms, from prokaryotes to higher eukaryotes, that facilitates transport of diverse molecules like sugars, vitamins, amino-acids, hormones, etc. across cell membranes. The superfamily was further expanded to MFS Superfamily (MFSS) to integrate MFS with nine more families. The present study revealed their land plant specific diversity through identification across six species from unicellular alga to higher flowering plants. We identified 71, 131, 254, 260, 213 and 203 MFSS transporters in Chlamydomonas reinhardtii, Physcomitrella patens, Selaginella moellendorffii, Oryza sativa (var. Japonica), Arabidopsis thaliana and Vitis vinifera, respectively and classified them into MFSS families and subfamilies based on their transporter classification identifiers (TCIDs). Detailed analysis of 20 land plant specific subfamilies was conducted in A. thaliana and V. vinifera. Phylogenetic and gene duplication studies revealed the expansion of sugar porter and proton dependent oligopeptide transporter families in Arabidopsis and grape. The subcellular localization of the majority of the transporters was predicted to be in the plasma membrane. Furthermore, the microarray expression analysis of MFSS transporters from Arabidopsis and grapes revealed their multi-tissue-specificity and differential regulation under biotic and abiotic stress conditions. Studies of the transmembrane topology highlighted the presence of central cytoplasmic loop along with family specific topological variations that were evident from phylogenetic analysis. Overall, this study adds to the knowledge of functional and structural diversity and evolution of MFSS transporters in plants and opens the scope for detailed physiological and functional studies on these proteins.}, doi = {10.1016/j.plgene.2019.100179}, author = {Patil, Sucheta S. and Prashant, Ramya and Kadoo, Narendra Y. and Upadhyay, Anuradha and Gupta, Vidya S.} } @article {45519, title = {Gold(I)-catalyzed hydroxy group assisted C(sp(2))-H alkylation of enaminones with diazo compounds to access 3-alkyl chromones}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {JAN }, pages = {335-339}, type = {Article}, abstract = {

A strategy for expedient synthesis of 3-substituted chromones from easily available o-hydroxyarylenaminones and diazo compounds has been developed. Carefully conducted experimental and computational studies led us to propose an uncommon mechanistic pathway involving the hydroxyl group assisted alkylation of enaminones with in situ generated gold carbenes.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b03989}, author = {Bagle, Pradip N. and Mane, Manoj V. and Sancheti, Shashank P. and Gade, Amol B. and Shaikh, Samir R. and Baik, Mu-Hyun and Patil, Nitin T.} } @article {46040, title = {Graphene nanosheets assisted carbon hollow cylinder for high-performance field emission applications}, journal = {Materials Research Express}, volume = {6}, year = {2019}, month = {SEP}, pages = {095066}, type = {Article}, abstract = {

Electron sources are critical constituents for myriad many electronic applications including electron imaging, mass spectroscopy etc. Here, we report the realization of high-performance field emission from graphene assisted carbon hollow cylinders (Gr-CHCs) composed of multi-stacked radially aligned CNTs. These CHCs have built-in synthesis related Fe nanoparticles (NPs). This engineered nano-structure exhibits excellent field emission properties such as one of the ultra-low turn-on field (0.64V mu m(-1) at 10 mu A cm(-2)), low threshold field (0.74V mu m(-1) at 100 mu A cm(-2)), very high current density (15.49 mA cm(-2) at 1.32V mu m(-1)) which is nearly double the current density obtained in our previous study. High field enhancement factor (0.72. x. 10(4)) with highly stable emission current at 100 mu A was observed for more than 3 hrs at the base pressure of similar to 1. x. 10(-8) mbar. This study suggests an approach to enhance the current density using the proposed innovative nanostructure and forms the basic theme of this communication. Highly efficient and stable field emissions observed are attributed to the geometry of cylinder and the production of the high density of sharp protrusions within the graphene sheets which enhance the local electric field and dramatically enhance field emission. This innovative cylindrical geometry associated with graphene assisted on Fe bearing aligned CNTs along with the periphery of the bulk cylinder provides an easy injection of electrons from the conduction band of CHCs into the vacuum in the presence of an external electric field. The tunability of field emission properties of these CHCs can be easily achieved by tailoring their diameter (10 and 20 mm) and different concentrations of the precursor. This new approach of the graphene assisted cylindrical geometry-based field emitter source provides enormous prospects and demand for next-generation high resolutions display devices.

}, keywords = {Carbon nanotubes, field emission, graphene assisted carbon hollow cylinder, protrusions}, issn = {2053-1591}, doi = {10.1088/2053-1591/ab3030}, author = {Tripathi, Prashant and Gupta, Bipin Kumar and Bankar, Prashant K. and More, Mahendra A. and Late, Dattatray J. and Srivastava, Onkar Nath} } @article {47171, title = {Graphene oxide supported liposomes as red emissive theranostics for phototriggered tissue visualization and tumor regression}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {JUL}, pages = {3312{\textendash}3320}, abstract = {

Selective tissue visualization and localized tumor regression without affecting the surrounding healthy tissues are critical concerns in cancer nanomedicine. Importantly, the complete wrapping of a flimsy matrix like liposome by multifunctional graphene oxide is an interesting engineering idea for nanomedicine design. Moreover, designing a safe and biodegradable nanohybrid with significant theranostic ability is a current need for targeted combined therapies. Here, we report a comprehensive result of in vivo tumor diagnosis and phototriggered tumor regression using a biodegradable red emissive nanotheranostic system, viz., graphene oxide flakes fortified liposome (GOF-Lipo), functionalized with folic acid (FA): GOF-Lipo-FA. Graphene oxide support enhances the stability of drug-loaded liposomes in an extracellular environment that prevents the premature release of loaded anticancer drug from the liposomal cavity. Promising outcomes of tumor regression (\~{}300 to 25 mm3) from organized cellular and animal studies are demonstrated in this work. These studies reveal superior biocompatibility, deep intracellular localization, 4T1 breast tumor diagnosis, and long time tumor binding ability of an injected emissive nanohybrid. Overall, a single dose of designed multifunctional systems demonstrates the best tumor regression.

}, doi = {10.1021/acsabm.9b00335}, author = {Prasad, Rajendra and Yadav, Amit S. and Gorain, Mahadeo and Chauhan, Deepak S. and Kundu, Gopal C. and Srivastava, Rohit and Selvaraj, Kaliaperumal} } @article {46285, title = {Hepatoprotective cocrystals of isoniazid: synthesis, solid state characterization, and hepatotoxicity studies}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {SEP}, pages = {5161-5172}, type = {Article}, abstract = {

Isoniazid (INH) is one of the first line drugs used in combination with pyrazinamide and rifampicin for the management of tuberculosis. Idiosyncratic hepatotoxicity is one of the most common side effects of antitubercular therapy worldwide. The current study explores solid phase modification of INH by cocrystallization with various hepatoprotective coformers, namely chrysin, hesperetin, silibinin, syringic acid (SYRA), and quercetin (QUE) to address hepatotoxicity concerns. Cocrystals were obtained with SYRA and QUE. Supramolecular synthons based on pyridine-carboxyl and pyridine-hydroxyl synthon enabled the formation of cocrystals. INHSYRA and INHQUE cocrystals were characterized by FT-IR, DSC, and PXRD. Single crystal X-ray analysis of INHSYRA revealed that it crystallized in triclinic system with the P (1) over bar space group. Intrinsic dissolution rate studies (IDR) showed slow drug release from both the cocrystals. Hepatoprotective effects of INHSYRA and INHQUE cocrystals were evaluated by a single toxic dose study and a subchronic study for 28 days. Results from the subchronic study indicated significant increase in ALT, AST, and ALP enzyme levels in the INH-treated group whereas the enzyme levels in INHSYRA and INHQUE cocrystal treated group were comparable to that of the untreated group. This study demonstrates the in vivo hepatoprotective effects of coformers SYRA and QUE provide promising evidence for utility of nutraceutical based coformers, to tackle hepatotoxicity associated with various drugs.

}, doi = {10.1021/acs.cgd.9b00541}, author = {Yadav, Balvant and Gunnam, Anilkumar and Thipparaboina, Rajesh and Nangia, Ashwini K. and Shastri, Nalini R.} } @article {46271, title = {Heteropolyacids supported on mesoporous AlSBA-15 as efficient catalysts for esterification of levulinic acid}, journal = {Journal of Porous Materials}, volume = {26}, year = {2019}, month = {OCT}, pages = {1335-1343}, type = {Article}, abstract = {

A comparative study of different heteropoly acids supported on mesoporous AlSBA-15 for the synthesis of ethyl levulinate has been undertaken for the first time. The catalysts were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, inductively coupled plasma-optical emission spectrometry, thermo gravimetric analysis, temperature programmed desorption of NH3 and N-2 sorption studies. Insights into crucial parameters for the esterification reactions are also furnished. A distinct correlation was observed between acid density and conversion revealing that the distribution of acidic sites and their accessibility by the reactant moieties plays an important role in determining the overall activity. The effects of various reaction parameters were investigated to enhance the catalytic activity and yield of ethyl levulinate. Under the optimized conditions, levulinic acid conversion of 87.4 mol\% and ethyl levulinate selectivity of 100\% could be obtained with silicotungstic acid supported on AlSBA-15.

}, doi = {10.1007/s10934-019-00734-w}, author = {Lucas, Nishita and Gurrala, L. and Athawale, Anjali} } @article {46286, title = {High-solubility salts of the multiple sclerosis drug teriflunomide}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {SEP}, pages = { 5407-5417}, type = {Article}, abstract = {

Teriflunomide (TFM) is an immunomodulatory prodrug of leflunomide which is used for the treatment of multiple sclerosis (MS). It is a Biopharmaceutics Classification System Class (BCS) II drug with low solubility and high permeability. The X-ray crystal structure of TFM is stabilized by 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 N, and N-H center dot center dot center dot N interactions. In order to study the solubility and dissolution changes of this drug, five multicomponent crystal forms were prepared with amine and amide generally regarded as safe (GRAS) coformers to improve the physicochemical properties such as solubility, dissolution, diffusion, and phase stability. Equimolar TFM-coformer 1:1 salts were crystallized, except for cytosine which afforded a salt cocrystal toluene solvate TFM-CYT-TOL in a 1:2:1 ratio. The multicomponent forms were crystallized by slow solvent evaporation and characterized by single crystal X-ray diffraction. TFM and coformer are bonded by N+-H center dot center dot center dot O-, 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 N, N-H center dot center dot center dot N, and C-H center dot center dot center dot F interactions. The bulk phase purity of the salts was characterized by powder X-ray diffraction and infrared and thermal techniques. Solubility, dissolution, and diffusion experiments in pH 7.0 buffer exhibited a significant improvement compared to the reference drug. The morphology and particle size of salts by field emission scanning electron microscopy were related to dissolution behavior. The highest solubility, dissolution, and diffusion profile were observed for TFM-MEA and TFM-TEA salts (monoethanol amine and triethanol amine).

}, doi = {10.1021/acs.cgd.9b00914}, author = {Gunnam, Anilkumar and Nangia, Ashwini K.} } @article {46441, title = {Hydrocarbon chain-length dependence of solvation dynamics in alcohol-based deep eutectic solvents: a two-dimensional infrared spectroscopic investigation}, journal = {Journal of Physical Chemistry B}, volume = {123}, year = {2019}, month = {NOV}, pages = {9355-9363}, type = {Article}, abstract = {

Deep eutectic solvents (DESs) have gained popularity in recent years as an environmentally benign, inexpensive alternative to organic solvents for diverse applications in chemistry and biology. Among them, alcohol-based DESs serve as useful media in various applications due to their significantly low viscosity as compared to other DESs. Despite their importance as media, little is known how their solvation dynamics change as a function of the hydrocarbon chain length of the alcohol constituent. In order to obtain insights into the chain-length dependence of the solvation dynamics, we have performed two-dimensional infrared spectroscopy on three alcohol-based DESs by systematically varying the hydrocarbon chain length. The results reveal that the solvent dynamics slows down monotonically with an increase in the chain length. This increase in the dynamic timescales also shows a strong correlation with the concomitant increase in the viscosity of DESs. In addition, we have performed molecular dynamics simulations to compare with the experimental results, thereby testing the capacity of simulations to determine the amplitudes and timescales of the structural fluctuations on fast timescales under thermal equilibrium conditions.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.9b08954}, author = {Chatterjee, Srijan and Ghosh, Deborin and Haldar, Tapas and Deb, Pranab and Sakpal, Sushil S. and Deshmukh, Samadhan H. and Kashid, Somnath M. and Bagchi, Sayan} } @article {46341, title = {Hydrogen bond assisted photoinduced intramolecular electron transfer and proton coupled electron transfer in an ultrafast time domain using a ruthenium-anthraquinone dyad}, journal = {Photochemical \& Photobiological Sciences}, volume = {18}, year = {2019}, month = {OCT }, pages = {2430-2441}, type = {Article}, abstract = {

Quinones play a significant role as primary electron acceptors in the natural photosynthetic system of photosystem II, and their reduction is known to be facilitated by hydrogen-bond donors or protonation. In this study, a ruthenium(ii) polypyridyl complex 1 coupled to an anthraquinone (AQ) functionality through a rigid imidazole (Im) spacer has been synthesized to examine the effect of H-bonding on both the thermal and photoinduced electron transfer reactions. The anthraquinone moiety of complex 1 is fused to a benzi-imidazole system bearing C \& xe001;(OMIDLINE)-M-AQ HORIZONTAL ELLIPSISHNIm based H-bonding at one side of the anthraquinone moiety so that intramolecular hydrogen bonding from the imidazole group to the nearby quinone carbonyl can occur. The hydrogen bond formation involving the semiquinone radical anion produced through the photoinduced reduction process in Ru-im-AQ and the imidazole proton in complex 1 resulted in a significant positive shift of one electron reduction potential of complex 1. The kinetics for the formation of the charge-separated states was explored by using femtosecond transient absorption spectroscopy. Hydrogen bonding between water and the reduced anthraquinone accounted for thermodynamic and kinetic stabilization of these charge-separated states. An attempt has been made to assess the relative importance of the driving force and solvent polarity, in the rates of photoinduced electron transfer in complex 1. The 490 nm transient absorption band of anthraquinone radical anions (AQ(-)) and a broad absorption in the 580-750 nm region having maxima at similar to 690 nm have been observed and this is attributed to the generation of a transient Ru3+-species of the corresponding complex 1. Addition of water entails an acceleration of electron transfer rates by a factor of 3.33. The system investigated may serve as a model for the mechanistic diversity of PCET reactions in general with water as a primary proton donor. Furthermore, our studies are relevant for understanding proton-coupled electron transfer (PCET) reactivity of electronically excited states at a fundamental level because changes in hydrogen-bonding strength accompanying changes in redox states may be regarded as a variant form of PCET.

}, issn = {1474-905X}, doi = {10.1039/c9pp00135b}, author = {Dey, Ananta and Dana, Jayanta and Aute, Sunil and Das, Amitava and Ghosh, Hirendra N.} } @article {46348, title = {Imidazole-linked crystalline two-dimensional polymer with ultrahigh proton-conductivity}, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {SEP}, pages = {14950-14954}, type = {Article}, abstract = {

Proton-exchange membrane fuel cells are promising energy devices for a sustainable future due to green features, high power density, and mild operating conditions. A facile proton-conducting membrane plays a pivotal role to boost the efficiency of fuel cells, and hence focused research in this area is highly desirable. Major issues associated with the successful example of Nafion resulted in the search for alternate proton conducting materials. Even though proton carrier loaded crystalline porous organic frameworks have been used for protonconduction, the weak host-guest interactions limited their practical use. Herein, we developed a crystalline 2D-polymer composed of benzimidazole units as the integral part, prepared by the condensation of aryl acid and diamine in polyphosphoric acid medium. The imidazole linked-2D-polymer exhibits ultrahigh proton conductivity (3.2 X 10(-2) S cm(-1)) (at 95\% relative humidity and 95 degrees C) in the pristine state, which is highest among the undoped porous organic frameworks so far reported. The present strategy of a crystalline proton-conducting 2D-polymer will lead to the development of new high performing crystalline solid proton conductor.

}, issn = {0002-7863}, doi = {10.1021/jacs.9b06080}, author = {Ranjeesh, Kayaramkodath Chandran and Ilathvalappil, Rajith and Veer, Sairam Dnyaneshwar and Peter, Joseph and Wakchaure, Vivek Chandrakant and Goudappagouda and Raj, K. Vipin and Kurungot, Sreekumar and Babu, Sukumaran Santhosh} } @article {47489, title = {Importance of conserving fragmented forest patches with high diversity of flowering plants in the northern Western Ghats: an example from Maharashtra, India}, journal = {Journal of Threatened Taxa }, volume = {11}, year = {2019}, month = {MAY}, pages = {13833-13849}, type = {Article}, abstract = {The northern Western Ghats (NWG) comprises of a patchy continuum of forests that have been severely fragmented mainly due to anthropogenic activities. We documented tree diversity within a representative fragmented forest patch of the NWG to study the effects of fragmentation on forest structure and composition. The floristic survey was conducted by replicated strip transect sampling method leading to a total sampling area of 0.3ha. A total of 444 individual trees (Girth>10cm) were sampled, which represented 49 tree species belonging to 42 genera and 23 families. Species richness per unit area and tree density were higher than previously reported values from similar forest type in various regions of NWG. These variations, however, could have resulted due to differences in the sampling area, sampling method, and girth classes used across different studies. Nevertheless, various diversity parameters such as N/S ratio, Simpson{\^a}{\texteuro}{\texttrademark}s index, Shannon{\^a}{\texteuro}{\texttrademark}s index, and Fisher{\^a}{\texteuro}{\texttrademark}s {\^I}{\textpm} index were comparable with those reported in previous studies in the Western Ghats. The observed species richness was close to species richness estimates such as abundance-based coverage estimate, Chao-1, and Jackknife estimators. The present study also enumerates 108 species of understory flowering plants, which is provided as a checklist. While access restrictions are imposed in protected areas having high conservation priority, such restrictions are not imposed in non-protected areas, which make them much more vulnerable to anthropogenic activities. Hence, this study recommends that owing to their high diversity, the fragmented forest patches of NWG should also be given high conservation priority.}, doi = {10.11609/jott.3296.11.7.13833-13849}, author = {Kasodekar, Amol and Jadhav, Amol Dilip and Bhagat, Rani and Pawar, Rakesh Mahadev and Gupta, Vidya Shrikant and Kadoo, Narendra} } @article {46181, title = {In situ study of radiation stability and associated conduction mechanisms of Nb-Doped TiO2/p-Si heterojunction diode under swift heavy ion irradiation}, journal = {IEEE Transactions on Electron Devices}, volume = {66}, year = {2019}, month = {MAR}, pages = {1475-1481}, type = {Article}, abstract = {

In situ current-voltage characteristics of Nb-doped TiO2/p-Si-based heterojunction diode have been studied under dense electronic excitations of 84-MeV Si6+ ions. The diode parameters such as ideality factor (eta), barrier height (phi(B)), reverse saturation current (J(s)), and series resistance (R-s) are found to be a strong function of ion irradiation fluence. The observed anomalies of fluence dependence of barrier height and ideality factor are explained in terms of irradiation-induced created defects complexes, modification of interface states and structural properties of Nbdoped-TiO2 (NTO) layer. Several mechanisms suchas barrier height inhomogeneity, donor defects-induced enchantment in n-NTO layer conductivity, and various current conduction mechanisms involved at different voltage ranges are discussed as a function of fluence with the help of constructed energy band diagram. Such in situ studies on n-NTO/p-Si heterojunction diode under radiation harsh environment are very appropriate for the better understanding of heterojunction interface properties and make it suitable for use in aerospace industry and nuclear reactors.

}, keywords = {Barrier height tuning, n-NTO/p-Si heterojunction, radiation stability of devices, secondary electron irradiation, space-charge limited current}, issn = {0018-9383}, doi = {10.1109/TED.2019.2893886}, author = {Gautam, Subodh Kumar and Singh, Jitendra and Singh, Ram Gopal and Gautam, Naina and Trivedi, Priyanka and Singh, Fouran} } @article {46291, title = {In vitro and in silico studies on membrane interactions of diverse Capsicum annuum flower gamma-thionin peptides}, journal = {Proteins-Structure Function and Bioinformatics}, year = {2019}, month = {AUG}, type = {Article; Early Access}, abstract = {

Thionins are small, cysteine-rich peptides that play an important role in plant defense, primarily through their interactions with membranes. Eight novel gamma-thionin peptides (CanThio1-8) were isolated from the flower of Capsicum annuum. Sequence analysis revealed that the peptides cluster into three groups. A representative peptide from each group (CanThio1, 2, and 3) was used for experimental characterization. Interestingly, peptides were found to possess some cytotoxic activity against normal human embryonic kidney cell line but higher cytotoxicity against cancer cell line MCF-7. CanThio3 peptide was chosen as a representative peptide to study the molecular mechanism of action on membranes. Microsecond timescale atomistic simulations of CanThio3 were performed in the presence of a POPC (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine) lipid bilayer. Simulations revealed that CanThio3 interacts with the bilayer and causes lipid thinning in the vicinity. Nonpolar amino acids specific to the alpha-core region of CanThio3 along with nonpolar residues in the gamma-core region are seen to interact with the lipid tails. The differences in the amino acid sequence of CanThio peptides in these regions explain the variability in cytotoxic activities. In summary, our results demonstrate the membrane-mediated activity of a novel series of gamma-thionin peptides from C. annuum.

}, keywords = {Capsicum annuum, Cytotoxicity, gamma-thionin, MD simulations, Membrane}, issn = {0887-3585}, doi = {10.1002/prot.25791}, author = {Nikte, Siddhanta and Gahankari, Apurva and Mulla, Javed and Sengupta, Durba and Joshi, Manali and Tamhane, Vaijayanti} } @article {45552, title = {Influence of nanocellulose on mechanics and morphology of polyvinyl alcohol xerogels}, journal = {Journal of the Mechanical Behavior of Biomedical Materials}, volume = {90}, year = {2019}, month = {FEB}, pages = {275-283}, type = {Article}, abstract = {

Xerogels are porous networks of crosslinked polymers that are useful for biomedical applications such as drug delivery, scaffold engineering, tissue regeneration, cell culture and wound dressing. However, inferior mechanical properties curtail their applications to a considerable extent. Nanocellulose fibers and crystals are often added into the polymer matrix to improve their mechanical strength. Here, nanocellulose in the mass ratios of 7\%, 13\% and 18\% are loaded into polyvinyl alcohol (PVA) matrix followed by thermo-morpho-mechanical characterization. With increase in nanocellulose content, thermal degradation occurs at a lower temperature. It is observed that addition of higher quantity of nanocellulose crystals leads to the formation of weak cellulose rich regions causing xerogel rupture. This is predominantly observed for xerogel loaded with 18\% nanocellulose crystals. Similarly, addition of higher quantity of nanocellulose fibers increase brittleness of the xerogels causing fracture. This is predominantly observed for xerogel loaded with 18\% nanocellulose fibers. Creep strain and stress relaxation is observed to decrease with addition of nanocellulose loading owing to molecular chain restriction and polymer chain immobility.

}, keywords = {Mechanics, Morphology, Nanocellulose, Xerogels}, issn = {1751-6161}, doi = {10.1016/j.jmbbm.2018.10.024}, author = {Pramanik, R. and Ganivada, B. and Ram, Farsa and Shanmuganathan, Kadhiravan and Arockiarajan, A.} } @article {46287, title = {Inorganic metal iodide mediated solution phase surface passivation for quantum dot solar cell}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {30}, year = {2019}, month = {SEP}, pages = {16234-16243}, type = {Article}, abstract = {

The recent advancements in solution phase surface passivation of quantum dots (QDs) enable the development of production compatible QD ink for their large-area deposition, of a single coating. Surface passivation and colloidal stability of the QDs in polar solvents have been achieved using inorganic-organic hybrid halometallate ligands. The inorganic halometallate anions bind to the unsaturated metal sites of the QD surface, while the organic counter cations provide the colloidal stability and charge balance to the QDs. Organic ligands is a reason for concern though for the stability of the QD solar cells processed from solution-phase ligand exchange. Here, we report a solution-phase ligand exchange strategy using alkali metal halides as a substitution for the organic counterpart to facilitate solution-phase ligand exchange using all-inorganic halometallate ligands. Considering the limited solubility of the alkali halides in organic solvents a two-stage ligand-exchanged process has been commenced to help remove the excess ligands, preserve the electronic purity and allow the formation of highly passivated QD films from solution-phase deposition. A twofold increase in solar cell performance is shown with the help of the modified ligand exchange approach. The solar cell properties are further analysed through detailed characterizations of the QD solar cells.

}, doi = {10.1007/s10854-019-01992-9}, author = {Tulsani, Srikanth Reddy and Ganguly, Saptam and Rath, Arup K.} } @article {45594, title = {Insect-repellent and mosquitocidal effects of noreremophilane- and nardoaristolone-based compounds}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {2188{\textendash}2195}, type = {Article}, abstract = {

Here, we disclose novel mosquito-repellent synthetic hydrindanes based on noreremophilanes and nardoaristolone B which show increased activity against adult females of Aedes aegypti. The noreremophilanes and nardoaristolone B with hydrindane skeleton are structurally related to nootkatone with decalin skeleton, a well-studied natural product extracted from a grape fruit. Out of our library of compounds synthesized based on the noreremophilanes and nardoaristolone B scaffolds, NDS-100598 (compound 20) exhibits higher repellent and knock-down effects at a very low concentration (0.25 mg/cm2), while a few analogues showed considerably enhanced activity compared to racemic nootkatone. This is the first report documenting insect-repellent and knock-down activity of the noreremophilanes class of compounds.

}, doi = {10.1021/acsomega.8b03652}, author = {Handore, K. L. and Kalmode, H. P. and Sayyad, S. and Seetharamsingh, B. and Gathalkar, G. and Padole, S. and Pawar, P. V. and Joseph, M. and Sen, A. and Reddy, D. S.} } @article {46276, title = {Insights into the origin of life: did it begin from HCN and H2O?}, journal = {Acs Central Science}, volume = {5}, year = {2019}, month = {SEP}, pages = {1532-1540}, type = {Article}, abstract = {

The seminal Urey-Miller experiments showed that molecules crucial to life such as HCN could have formed in the reducing atmosphere of the Hadean Earth and then dissolved in the oceans. Subsequent proponents of the "RNA World" hypothesis have shown aqueous HCN to be the starting point for the formation of the precursors of RNA and proteins. However, the conditions of early Earth suggest that aqueous HCN would have had to react under a significant number of constraints. Therefore, given the limiting conditions, could RNA and protein precursors still have formed from aqueous HCN? If so, what mechanistic routes would have been followed? The current computational study, with the aid of the ab initio nanoreactor (AINR), a powerful new tool in computational chemistry, addresses these crucial questions. Gratifyingly, not only do the results from the AINR approach show that aqueous HCN could indeed have been the source of RNA and protein precursors, but they also indicate that just the interaction of HCN with water would have sufficed to begin a series of reactions leading to the precursors. The current work therefore provides important missing links in the story of prebiotic chemistry and charts the road from aqueous HCN to the precursors of RNA and proteins.

}, doi = {10.1021/acscentsci.9b00520}, author = {Das, Tamal and Ghule, Siddharth and Vanka, Kumar} } @article {46305, title = {In-situ generated Mn3O4-reduced graphene oxide nanocomposite for oxygen reduction reaction and isolated reduced graphene oxide for supercapacitor applications}, journal = {Carbon}, volume = {154}, year = {2019}, month = {DEC}, pages = {285-291}, type = {Article}, abstract = {

We have generated in situ nanocomposite of Mn3O4 and reduced graphene oxide (rGO) upon employing wet-chemical reduction of graphene oxide (GO) by Mn(II) salt as mild-reducing agent for the first time and examined the oxygen reduction reaction (ORR) activity in 0.1 M KOH electrolyte. The half-wave potential (E-1/2) of the nanocomposite catalyst (20\% Mn3O4-rGO/C) was found to be around -0.153 V which is only similar to 87 mV negative from the commercially available catalyst (20\% Pt/C). Remarkably, after 5000 linear sweep voltammetry cycles the E-1/2 shifted marginally by 20 mV; and the number of electrons transferred during ORR was estimated to be close to 4. Such an efficient electrocatalytic performance of the nanocomposite was primarily attributed to the synergistic interaction between Mn3O4 and rGO. The fabricated all-solid-state supercapacitor of rGO (extracted from the nanocomposite) in aqueous polyvinyl alcohol-sulfuric acid (PVA-H2SO4) gel polymer electrolyte (GPE) showed C-s value of similar to 310 F/g at a current density of 1 A/g along with long durability (10,000 charge-discharge cycles). All-solid-state flexible rGO supercapacitor exhibited high-flexibility and excellent durability (30,000 cycles with 100\% retention of C-s). Our results provide an enormous opportunity in designing transition metal oxides decorated semiconducting reduced graphene oxide nanocomposite platforms for various electrochemical applications. (C) 2019 Elsevier Ltd. All rights reserved.

}, issn = {0008-6223}, doi = {10.1016/j.carbon.2019.08.012}, author = {Jha, Plawan Kumar and Kashyap, Varchaswal and Gupta, Kriti and Kumar, Vikash and Debnath, Anil Krishna and Roy, Debashree and Rana, Shammi and Kurungot, Sreekumar and Ballav, Nirmalya} } @article {45551, title = {Investigation of structural and saccharide binding transitions of Bauhinia purpurea and Wisteria floribunda lectins}, journal = {Archives of Biochemistry and Biophysics}, volume = {662}, year = {2019}, month = {FEB }, pages = {134-142}, type = {Article}, abstract = {

Two novel medicinally important legume lectins from Bauhinia purpurea (BPL) and Wisteria floribunda (WFL) possessing extended sugar binding site were investigated for functional and conformational transitions using biochemical and biophysical techniques as well as bioinformatical tools. Homology model of BPL was constructed using the Schrodinger suite and docked with N-acetyl galactosamine and T-antigen disaccharide (Gal beta 1-3GalNAc alpha O-Me). The longer loop D in the structure of WFL compared to that in BPL was found to be responsible for its specificity to LacdiNac (beta-D-GalNAc-[1 -\> 4]-DGlcNAc) over Gal beta 1-3GalNAc. BPL remained functionally stable up to 40 degrees C whereas WFL remained stable upto 70 degrees C indicating the strength of the sugar binding site geometry. Both the lectins showed intense but non-specific secondary structure in the range of 65-90 degrees C. WFL showed rapid aggregation above 80 degrees C as indicated by light scattering intensity. The lectins showed simultaneous dissociation and multistate unfolding in the vicinity of GdnHCl. At pH 1.0, both the lectins exhibited molten globule like structures, which were characterized further and were found to respond in a different way towards denaturants. The results have provided valuable insights into the molecular basis of the activity and stability of the two lectins.

}, keywords = {Conformation, Homology model, Lectin, Molten globule, saccharide binding, Thermal aggregation}, issn = {0003-9861}, doi = {10.1016/j.abb.2018.12.003}, author = {Agrawal, Sanskruthi B. and Ghosh, Deepanjan and Gaikwad, Sushama M.} } @article {47162, title = {Isolation and molecular characterization of thermophilic coprophilous fungus malbranchea cinnamomea GSMBKU from goat dung}, journal = {Journal of Pure and Applied Microbiology}, volume = {13}, year = {2019}, month = {DEC}, pages = {2227-2233}, abstract = {

Thermophilic fungi, found in the varied habitats are valuable sources for potential enzymes and other biochemical metabolites throwing challenges to the mycologists. A study of such fungi will not only enables the biochemists, microbiologists, and the biotechnologists to understand the basic molecular process but also search for novel genes, gene products and reactions. In this study, Malbranchea cinnamomea was isolated from goat dung and characterized based on its morphological and physiological characters, and later confirmed molecularly.

}, doi = {10.22207/JPAM.13.4.36 }, author = {Ajmera, Shanthipriya and Rao, V. Koteswara and Ranipadmini, V. and Merugu, Ramchander and Girisham, Sivadevuni} } @conference {47487, title = {Leukemia cancer detection using image analytics : (comparative study)}, booktitle = {2019 5th International Conference On Computing, Communication, Control And Automation (ICCUBEA)}, year = {2019}, month = {SEP}, publisher = {IEEE Xplore}, organization = {IEEE Xplore}, address = {Pune, India}, abstract = {Leukemia is a cancer of white blood cells (WBC). It can be fatal if not detected early. Microscopic images are studied by hematologists for detecting cancer. This manual detection becomes very tedious and time-consuming process. Leukemia if detected in earlier stages, can be cured. But traditional process causes late detection of cancerous cells. Hence in order to minimize the death caused due to late detection, an automated system can be used. This paper proposes an automated system which uses image analytics. Based on image analytics and classification algorithms performed on cell image samples of patients, the proposed system will give correct output. The dataset for experimentation is obtained from TCIA (The Cancer Imaging Archive) repository. The dataset is already pre-processed. An open source tool, "Orange-Data Mining" is used for predictions. In this comparative study, it was found that K-means clustering performs well for segmentation phase and also Neural Networks gives better results for classification phase. We have achieved AUC (area under curve) 0.865, Calculation accuracy (0.838), precision (0.835) and F1(0.836) for neural networks.}, doi = {10.1109/ICCUBEA47591.2019.9128546}, author = {Belhekar, Akshay and Gagare, Kumar and Bedse, Ritesh and Bhelkar, Yugandhar and Rajeswari, K. and Karthikeyan, Muthukumarasamy} } @article {46310, title = {Lignocellulosic biomass: hurdles and challenges in its valorization}, journal = {Applied Microbiology and Biotechnology}, year = {2019}, type = {Review; Early Access}, abstract = {

Lignocellulosic biomass (LCB) is globally available and sustainable feedstock containing sugar-rich platform that can be converted to biofuels and specialty products through appropriate processing. This review focuses on the efforts required for the development of sustainable and economically viable lignocellulosic biorefinery to produce carbon neutral biofuels along with the specialty chemicals. Sustainable biomass processing is a global challenge that requires the fulfillment of fundamental demands concerning economic efficiency, environmental compatibility, and social responsibility. The key technical challenges in continuous biomass supply and the biological routes for its saccharification with high yields of sugar sources have not been addressed in research programs dealing with biomass processing. Though many R\&D endeavors have directed towards biomass valorization over several decades, the integrated production of biofuels and chemicals still needs optimization from both technical and economical perspectives. None of the current pretreatment methods has advantages over others since their outcomes depend on the type of feedstock, downstream process configuration, and many other factors. Consolidated bio-processing (CBP) involves the use of single or consortium of microbes to deconstruct biomass without pretreatment. The use of new genetic engineering tools for natively cellulolytic microbes would make the CBP process low cost and ecologically friendly. Issues arising with chemical characteristics and rigidity of the biomass structure can be a setback for its viability for biofuel conversion. Integration of functional genomics and system biology with synthetic biology and metabolic engineering undoubtedly led to generation of efficient microbial systems, albeit with limited commercial potential. These efficient microbial systems with new metabolic routes can be exploited for production of commodity chemicals from all the three components of biomass. This paper provides an overview of the challenges that are faced by the processes converting LCB to commodity chemicals with special reference to biofuels.

}, keywords = {Biomass pretreatment, Biomass supply chain, Cellulosic ethanol, Consolidated bio-processing, Lignocellulosic biomass (LCB)}, issn = {0175-7598}, doi = {10.1007/s00253-019-10212-7}, author = {Singhvi, Mamata S. and Gokhale, Digambar V.} } @article {46133, title = {Lithium speciation in the LiPF6/PC electrolyte studied by two dimensional heteronuclear overhauser enhancement and pulse field gradient diffusometry NMR}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {APR}, pages = {9661-9672}, type = {Article}, abstract = {

Electrolytic dissociation of lithium hexafluorophosphate (LiPF6) in the nonaqueous cyclic propylene carbonate (PC) has been investigated in the wide range of concentration (0.05-3.5 M) by Li-7 solution-state nuclear magnetic resonance (NMR) spectroscopy. Two-dimensional heteronuclear Overhauser enhancement spectroscopy NMR experiments have not only enabled the cation solvation and ion-pairing to be directly monitored but additionally evidence anion solvent interaction at higher concentrations (\>1.2 M) of the PC electrolyte. Preliminary analysis of kinetic nOe data has been made to determine site-dependent cross-relaxation rates for the spatial interaction of the solvent with the Li+ cation and the PF6- anion. The concentration dependence of the Li-7 NMR self-diffusion coefficient (D-self), determined using very strong pulsed magnetic field gradients (similar to 1700 Gauss/cm), depicts two breaks to mark the solvation and ion-pairing events in a distinct manner. This in turn has aided the determination of solvent coordination number and average sizes of solvated and ion-paired clusters. Our results indicate that in the contact ion pair (CIP)-dominated electrolyte (\>2 M), lithium-ion mobility across the solvated and ion-paired environments appears to be inhibited which makes the spectral distinction of solvated and ion-paired environments possible. The concentration dependence of the Li-7 NMR spectral and diffusometry data is in striking correspondence with that of bulk conductivity measurements and point to the detrimental effect of CIP aggregates in impeding the ionic conductivity at high salt concentrations. These results have significance in understanding the structure and dynamics of lithium-ion solvates that are ubiquitous in the working environment of a lithium-ion battery.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.8b11599}, author = {Kumar, Vikas and Reddy, R. Ravikanth and Kumar, B. V. N. Phani and Avadhani, Chilukuri V. and Ganapathy, Subramanian and Chandrakumar, Narayanan and Sivaram, Swaminathan} } @article {46085, title = {Manganese-catalyzed direct C-C coupling of -C-H bonds of amides and esters with alcohols via hydrogen autotransfer}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {JUN }, pages = {7094-7099}, type = {Article}, abstract = {

Herein we report an efficient manganese-catalyzed C-alkylation of unactivated amides and tert-butyl acetate using alcohols as alkylating agents. This elegant approach exhibits a broad substrate scope providing the C-C coupled products of amides via a hydrogen auto-transfer strategy using aryl, heteroaryl, and aliphatic alcohols.

}, issn = {1477-9226}, doi = {10.1039/c8dt05020a}, author = {Rana, Jagannath and Gupta, Virendrakumar and Balaraman, Ekambaram} } @article {46119, title = {Mechanistic insights into enzymatic catalysis by trehalase from the insect gut endosymbiont Enterobacter cloacae}, journal = {FEBS Journal}, volume = {286}, year = {2019}, month = {MAY}, pages = {1700-1716}, type = {Article}, abstract = {

Energy metabolism in the diamondback moth Plutella xylostella is facilitated by trehalase, an enzyme which assists in trehalose hydrolysis, from the predominant gut bacterium Enterobacter cloacae. We report the biochemical and structural characterization of recombinant trehalase from E. cloacae (Px_EclTre). Px_EclTre showed K-M of 1.47 (+/- 0.05) mm, k(cat) of 6254.72 min(-1) and V-max 0.2 (+/- 0.002) mm center dot min(-1) at 55 degrees C and acidic pH. Crystal structures of Px_EclTre were determined in the ligand-free form and bound to the inhibitor Validoxylamine A. The crystal structure of the ligand-free form, unavailable until now for any other bacterial trehalases, enabled us to delineate the conformational changes accompanying ligand binding in trehalases. Multiple salt bridges were identified that potentially facilitated closure of a hood over the substrate-binding site. A cluster of five tryptophans lined the -1 substrate-binding subsite, interacted with crucial active site residues and contributed to both trehalase activity and stability. The importance of these residues in enzyme activity was further validated by mutagenesis studies. Many of these identified residues form part of signature motifs and other conserved sequences in trehalases. The structure analysis thus led to the assignment of the functional role to these conserved residues. This information can be further explored for the design of effective inhibitors against trehalases.

}, keywords = {Enterobacter cloacae, Plutella xylostella, structural analysis, trehalase, validoxylamine A}, issn = {1742-464X}, doi = {10.1111/febs.14760}, author = {Adhav, Anmol and Harne, Shrikant and Bhide, Amey and Giri, Ashok and Gayathri, Pananghat and Joshi, Rakesh} } @article {46320, title = {Mechanistic insights into the pathways of phenol hydrogenation on Pd nanostructures}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {7}, year = {2019}, month = {OCT}, pages = {17126-17136}, type = {Article}, abstract = {

Product selectivity in aqueous phase phenol hydrogenation on well-defined supported Pd nanostructures (spheres, cubes, and octahedra) was studied using defined experiments and density functional theory (DFT) simulations. On Pd spheres and octahedra, the reaction initially showed high selectivity (in the first 3 h, at 363 K and 5 bar H-2 pressure) toward the partially hydrogenated product cyclohexanone. On prolonged operation (\>20 h of reaction time), a shift in the product selectivity (up to 100\%) toward the completely hydrogenated product cyclohexanol was observed on Pd spheres and octahedra. In contrast, the reaction on Pd cubes, which only had {100} facets, showed a high selectivity (similar to 90\%) toward the product cyclohexanone even after 40 h, at the same reaction conditions. Since the {111} facets are expected to be the majority sites on a spherical particle, we attribute the selectivity trend observed on spherical Pd particles to be primarily controlled by the selectivity trend on the Pd{111} facets. This observation was further confirmed on performing the hydrogenation reaction on a mixture of Pd cube and Pd octahedron particles in a ratio of 25:75 (representing the site ratio of a spherical particle). DFT simulations provided a mechanistic insight into the reactivity of the two different facets ({100} and {111}) toward phenol hydrogenation. The calculations revealed that the selectivity significantly depended on the activation barriers involved in cyclohexanone hydrogenation on the Pd{111} facets (77 and 57 kJ/mol) as compared to those on the Pd{100} facets (97 and 101 kJ/mol).

}, keywords = {Cyclohexanol, cyclohexanone, facet-dependent reactivity, phenol hydrogenation}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.9b03392}, author = {Porwa, Govind and Gupta, Shelaka and Sreedhala, S. and Elizabeth, Joes and Ithan, Tuhin Suvra and Haider, M. Ali and Vinod, C. P.} } @article {46443, title = {Metabolomic dynamics reveals oxidative stress in spongy tissue disorder during ripening of mangifera indica l. fruit}, journal = {Metabolites}, volume = {9}, year = {2019}, month = {NOV}, pages = {255}, type = {Article}, abstract = {

Spongy tissue disorder, a mesocarp specific malady, severely affects the flavor and pulp characters of Alphonso mango fruit reducing its consumer acceptability. Here, we investigated comparative metabolomic changes that occur during ripening in healthy and spongy tissue-affected fruits using high resolution mass spectrometric analysis. During the spongy tissue formation, 46 metabolites were identified to be differentially accumulated. These putative metabolites belong to various primary and secondary metabolic pathways potentially involved in maintaining the quality of the fruit. Analysis revealed metabolic variations in tricarboxylic acid cycle and gamma amino butyric acid shunt generating reactive oxygen species, which causes stressed conditions inside the mesocarp. Further, reduced levels of antioxidants and enzymes dissipating reactive oxygen species in mesocarp deteriorate the fruit physiology. This oxidative stress all along affects the level of amino acids, sugars and enzymes responsible for flavor generation in the fruit. Our results provide metabolic insights into spongy tissue development in ripening Alphonso mango fruit.

}, keywords = {gamma amino butyric acid shunt, mango metabolomics, Oxidative stress, spongy tissue disorder, tricarboxylic acid cycle}, doi = {10.3390/metabo9110255}, author = {Oak, Pranjali and Deshpande, Ashish and Giri, Ashok and Gupta, Vidya} } @article {46296, title = {Micro-Raman investigations on zirconium oxide film during swift heavy ion irradiation to study crystalline-to-crystalline phase transformation kinetics by cascade overlap model}, journal = {Journal of Applied Physics}, volume = {126}, year = {2019}, month = {JUL}, pages = {025901}, type = {Article}, abstract = {

In situ micro-Raman studies are reported to monitor the evolution of the tetragonal phase in a monoclinic zirconium oxide thin film under swift heavy ion irradiation with increasing ion fluences. Structural changes in the irradiated film are observed as compared to the virgin sample, evident from an evolution of the tetragonal phase beyond critical ion fluence. The interpretation of experimental data allows for an in-depth understanding of irradiation induced stiffening of phonon and crystalline-to-crystalline phase transformation in ZrO2 thin films. Irradiation induced peak broadening and uniform shifting of fundamental Raman modes are observed mainly in the anion (i. e., oxygen atom) dominant frequency region and give a direct indication of the accumulation of structural disorder in the oxygen sublattice of the ZrO2 film. A qualitative approach is followed to understand the kinetics of such a crystalline-to-crystalline phase transformation. Experimental results reveal that the cascade overlap model with the requirement of about six multiple ion impacts provides an excellent fit to data, and the same is further confirmed by x-ray diffraction data. Thus, this study suggests that such in situ studies envisage a better and more authentic insight into the kinetics of phase transformations under similar nonequilibrium conditions.

}, issn = {0021-8979}, doi = {10.1063/1.5090309}, author = {Singh, Fouran and Rawat, Mukesh and Gautam, Subodh K. and Ojha, Sunil} } @article {46278, title = {MnO2@Fe3O4 Magnetic Nanoparticles as Efficient and Recyclable Heterogeneous Catalyst for Benzylic sp(3) C-H Oxidation}, journal = {Chemistry-An Asian Journal}, year = {2019}, month = {SEP}, type = {Article}, abstract = {

Herein, we report a highly chemoselective and efficient heterogeneous MnO2@Fe3O4 MNP catalyst for the oxidation of benzylic sp(3) C-H group of ethers using TBHP as a green oxidant to afford ester derivatives in high yield under batch/continuous flow module. This catalyst was also effective for the benzylic sp(3) C-H group of methylene derivatives to furnish the ketone in high yield which can be easily integrated into continuous flow condition for scale up. The catalyst is fully characterized by spectroscopic techniques and it was found that 0.424 \% MnO2@Fe3O4 catalyzes the reaction; the magnetic nanoparticles of this catalyst could be easily recovered from the reaction mixture. The recovered catalyst was recycled for twelve cycles without any loss of the catalytic activity. The advantages of MnO2@Fe3O4 MNP are its catalytic activity, easy preparation, recovery, and recyclability, gram scale synthesis with a TOF of up to 14.93 h(-1) and low metal leaching during the reaction.

}, doi = {10.1002/asia.201900810}, author = {Pandey, Akanksha M. and Agalave, Sandip G. and Vinod, Chathakudath P. and Gnanaprakasam, Boopathy} } @article {46330, title = {Molecular cobalt(II) complexes for tau polymerization in Alzheimer{\textquoteright}s disease}, journal = {ACS Omega }, volume = {4}, year = {2019}, month = {OCT}, pages = {16702-16714}, type = {Article}, abstract = {

Tau is an axonal protein known to form abnormal aggregates and is the biomarker of Alzheimer{\textquoteright}s disease. Metal-based therapeutics for inhibition of Tau aggregation is limited and rarely reported in contemporary science. Here, we report the first example of rationally designed molecular cobalt(II)-complexes for effective inhibition of Tau and disaggregation of preformed Tau fibrils. The mechanistic studies reveal that prevention of Tau aggregation by cobalt-based metal complexes (CBMCs) is concentration-dependent and Tau seldom exhibits conformational changes. Interestingly, CBMCs play dual role in causing disassembly of preformed aggregates as well as inhibition of complete Tau aggregation. Furthermore, CBMCs were nontoxic and maintained the tubulin network intact. CBMCs also prevented okadaic acid-induced toxicity in SH-SY5Y cells thus, preventing hyperphosphorylation of Tau. We believe that this unprecedented finding by the newly developed molecular complexes has a potential toward metal-based therapeutics for Alzheimer{\textquoteright}s disease.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b00692}, author = {Gorantla, Nalini Vijay and Landge, Vinod G. and Nagaraju, Pramod Gudigenahally and Priyadarshini, Poornima C. G. and Balaraman, Ekambaram and Chinnathambi, Subashchandrabose} } @article {47168, title = {Molecular dynamics study on growth of carbon dioxide and methane hydrate from a seed crystal}, journal = {Chinese Journal of Chemical Engineering}, volume = {27}, year = {2019}, month = {SEP}, pages = {2074-2080}, type = {Article}, abstract = {

In the current work, molecular dynamics simulation is employed to understand the intrinsic growth of carbon dioxide and methane hydrate starting from a seed crystal of methane and carbon dioxide respectively. This comparison was carried out because it has relevance to the recovery of methane gas from natural gas hydrate reservoirs by simultaneously sequestering a greenhouse gas like CO2. The seed crystal of carbon dioxide and methane hydrate was allowed to grow from a super-saturated mixture of carbon dioxide or methane molecules in water respectively. Two different concentrations (1:6 and 1:8.5) of CO2/CH4 molecules per water molecule were chosen based on gas-water composition in hydrate phase. The molecular level growth as a function of time was investigated by all atomistic molecular dynamics simulation under suitable temperature and pressure range which was well above the hydrate stability zone to ensure significantly faster growth kinetics. The concentration of CO2 molecules in water played a significant role in growth kinetics, and it was observed that maximizing the CO2 concentration in the aqueous phase may not result in faster growth of CO2 hydrate. On the contrary, methane hydrate growth was independent of methane molecule concentration in the aqueous phase. We have validated our results by performing experimental work on carbon dioxide hydrate where it was seen that under conditions appropriate for liquid CO2, the growth for carbon dioxide hydrate was very slow in the beginning. (C) 2019 The Chemical Industry and Engineering Society of China, and Chemical Industry Press Co., Ltd. All rights reserved.

}, keywords = {Cage dynamics, CH4 recovery, CO2 sequestration, F-4 order parameter, kinetics, Natural gas hydrate, Thermodynamics}, issn = {1004-9541}, doi = {10.1016/j.cjche.2019.02.006}, author = {Nakate, Prajakta and Ghosh, Bappa and Das, Subhadip and Roy, Sudip and Kumar, Rajnish} } @article {47160, title = {Molecular studies of NAD- and NADP-glutamate dehydrogenases decipher the conundrum of yeast-hypha dimorphism in zygomycete Benjaminiella poitrasii}, journal = {Fems Yeast Research}, volume = {19}, year = {2019}, month = {DEC}, pages = {foz074}, type = {Article}, abstract = {

Benjaminiella poitrasii, a zygomycete, shows glucose- and temperature-dependent yeast (Y)-hypha (H) dimorphic transition. Earlier, we reported the biochemical correlation of relative proportion of NAD- and NADP-glutamate dehydrogenases (GDHs) with Y-H transition. Further, we observed the presence of one NAD-GDH and two form-specific NADP-GDH isoenzymes in B. poitrasii. However, molecular studies are necessary to elucidate the explicit role of GDHs in regulating Y-H reversible transition. Here, we report the isolation and characterization of one NAD (BpNADGDH, 2.643 kb) and two separate genes, BpNADPGDH I (Y-form specific, 1.365 kb) and BpNADPGDH II (H-form specific, 1.368 kb) coding for NADP-GDH isoenzymes in B. poitrasii. The transcriptional profiling during Y-H transition showed higher BpNADPGDH I expression in Y cells while expression of BpNADPGDH II was higher in H cells. Moreover, the yeast-form monomorphic mutant (Y-5) did not show BpNADPGDH II expression under normal dimorphism triggering conditions. Transformation with H-form specific BpNADPGDH II induced the germ tube formation in Y-5, which confirmed the cause-effect relationship between BpNADPGDH genes and morphological outcome in B. poitrasii. Interestingly, expression of H-form specific BpNADPGDH II also induced germ tube formation in human pathogenic, non-dimorphic yeast Candida glabrata, which further corroborated our findings.

}, keywords = {Benjaminiella poitrasii, Candida glabrata, differential gene expression, dimorphism, monomorphic mutant, NAD/NADP-glutamate dehydrogenase, yeast-hypha transition}, issn = {1567-1356}, doi = {10.1093/femsyr/foz074}, author = {Pathan, Ejaj K. and Ghormade, Vandana and Panwar, Sneh Lata and Prasad, Rajendra and Deshpande, Mukund V.} } @article {46250, title = { Molybdenum carbide catalyst for the reduction of CO2 to CO: surface science aspects by NAPPES and catalysis studies }, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {AUG}, pages = {12199-12209}, type = {Article}, abstract = {

Carbon dioxide is a greenhouse gas, and needs to be converted into one of the useful feedstocks, such as carbon monoxide and methanol. We demonstrate the reduction of CO2 with H-2 as a reducing agent, via a reverse water gas shift (RWGS) reaction, by using a potential and low cost Mo2C catalyst. Mo2C was evaluated for CO2 hydrogenation at ambient pressure as a function of temperature, and CO2 : H-2 ratio at a gas hourly space velocity (GHSV) of 20 000 h(-1). It is demonstrated that the Mo2C catalyst with 1 : 3 ratio of CO2 : H-2 is highly active (58\% CO2 conversion) and selective (62\%) towards CO at 723 K at ambient pressure. Both properties (basicity and redox properties) and high catalytic activity observed with Mo2C around 700 K correlate well and indicate a strong synergy among them towards CO2 activation. X-ray diffraction and Raman analysis show that the Mo2C catalyst remains in the beta-Mo2C form before and after the reaction. The mechanistic aspects of the RWGS reaction were determined by near-ambient pressure X-ray photoelectron spectroscopy (NAPXPS) with in situ generated Mo2C from carburization of Mo-metal foil. NAPXPS measurements were carried out at near ambient pressure (0.1 mbar) and various temperatures. Throughout the reaction, no significant changes in the Mo2+ oxidation state (of Mo2C) were observed indicating that the catalyst is highly stable; C and O 1s spectral results indicate the oxycarbide species as an active intermediate for RWGS. A good correlation is observed between catalytic activity from atmospheric pressure reactors and the electronic structure details derived from NAPXPS results, which establishes the structure-activity correlation.

}, doi = {10.1039/c9dt01774g}, author = {Reddy, Kasala Prabhakar and Dama, Srikanth and Mhamane, Nitin B. and Ghosalya, Manoj K. and Raja, Thirumalaiswamy and Satyanarayana, Chilukuri V. and Gopinath, Chinnakonda S.} } @article {46135, title = {Morphology-dependent, green, and selective catalytic styrene oxidation on Co3O4}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {APR }, pages = {4574-4581}, type = {Article}, abstract = {

Despite the great successes in the controlled fabrication of nanomaterials with specific composition and morphology, it is still challenging to have the desired control on the defect sites of catalyst materials. For unfolding the mystery of this aspect, catalytic styrene epoxidation was attempted on spinel Co3O4 with two different morphologies, namely, SNR (nanorods prepared by the solvothermal method with the (110) facet), HNR (nanorods prepared by the hydrothermal methodwith the (111) facet) and NC (nanocubes with the (110) facet) were synthesized and subjected to olefin oxidation with O-2. Even without any catalyst pretreatment, all three Co3O4 catalyst systems were found to be active for selective epoxidation of styrene with O-2 at ambient pressure in the liquid phase. The correlation between catalytic activity and selectivity trend suggests that the reaction is highly structure-sensitive and facile on the (110) facet. Temperature-dependent near ambient pressure X-ray photoelectron spectroscopy (NAPXPS) was carried out at 0.1 mbar O-2 pressure to understand the mechanistic aspects. The distinct catalytic activity of NC (110) and SNR (110) can be attributed to the population of defect sites on the catalyst surface. NC morphology with comparatively fewer defect sites shows high activity and selectivity, suggesting that styrene oxidation on Co3O4 is structure-sensitive; however, unlike metal surfaces, fewer defects are more favourable for catalytic styrene epoxidation due to facile adsorption and activation of the substrate and O-2 on Co3+ sites. The present investigations suggest that surface defects need not necessarily increase catalytic activity.

}, issn = {1477-9226}, doi = {10.1039/c8dt05154b}, author = {Jain, Ruchi and Gopinath, Chinnakonda S.} } @article {46052, title = {[MoS4](2-)-Intercalated NiCo-layered double hydroxide nanospikes: an efficiently synergized material for urine to direct H-2 generation}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {JUL }, pages = {25917-25927}, type = {Article}, abstract = {

Substituting the energy-uphill water oxidation half-cell with readily oxidizable urea-rich urine, a ground-breaking bridge is constructed, combining the energy-efficient hydrogen generation and environmental 6 protection. Hence, designing a robust multifunctional electrocatalyst is desirable for widespread implementation of this waste to fuel technology. In this context, here, we report a simple tuning of the electrocatalytically favorable characteristics of NiCo-layered double hydroxide by introducing [MoS4]2- in its interlayer space. The [MoS4]{\textquoteright} insertion as well as its effect on the electronic structure tuning is thoroughly studied via X-ray photoelectron spectroscopy in combination with electrochemical analysis. This insertion induces overall electronic structure tuning of the hydroxide layer in such a way that the designed catalyst exhibited favorable kinetics toward all the required reactions of hydrogen generation. This is why our homemade catalyst, when utilized both as a cathode and anode to fabricate a urea electrolyzer, required a mere X1.37 V cell potential to generate sufficient H2 by reaching the benchmark 10 mA cm-2 in 1 M KOH/0.33 M urea along with long-lasting catalytic efficiency. Other indispensable reason of selecting [MoS4]2- is its high-valent nature making the catalyst highly selective and insensitive to common catalyst-poisoning toxins of urine. This is experimentally supported by performing the real urine electrolysis, where the nanospike-covered Ni foam-based catalyst showed a performance similar to that of synthetic urea, offering its industrial value. Other intuition of selecting [MoS4]2- was to provide a ligand-based mechanism for hydrogen evolution half-cell [hydrogen evolution reaction (HER)] to preclude the HER-competing oxygen reduction. Another crucial point of our work is its potential to avoid the mixing of two explosive product gases, that is, H2 and O-2.

}, keywords = {hydrogen evolution reaction, Layered double hydroxide, nickel oxyhydroxide, sewage denitrification, urea oxidation reaction, urine/urea electrolysis}, issn = {1944-8244}, doi = {10.1021/acsami.9b06545}, author = {Nadeema, Ayasha and Kashyap, Varchaswal and Gururaj, Rakshitha and Kurungot, Sreekumar} } @inbook {47478, title = {Nanobased intravenous and transdermal drug delivery systems}, booktitle = {Applications of Targeted Nano Drugs and Delivery Systems}, number = {Nanoscience and Nanotechnology in Drug Delivery Micro and Nano Technologies}, year = {2019}, pages = {551-594}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {In this chapter we bring in the collective information about intravenous and transdermal nano drug delivery systems (DDSs), which include different kinds of constituents used for the design of nano DDSs, their various forms, methods, and characterization of nanoformulations. }, doi = {10.1016/B978-0-12-814029-1.00019-3}, author = {Gundloori, Rathna V. N. and Singam, Amarnath and Killi, Naresh} } @article {46112, title = {Neutral imino-methyl benzenesulfonate-ligated Pd(II) complexes and implications in ethylene polymerization}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {MAY}, pages = {9502-9511}, type = {Article}, abstract = {

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

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

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

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

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

}, issn = {1144-0546}, doi = {10.1039/c9nj04234b}, author = {Ghotekar, Ganesh S. and More, Devidas A. and Nalla, Viswanadh and Muthukrishnan, M.} } @article {46043, title = {New insights into surface functionalization and preparation methods of MWCNT based semiconductor photocatalysts}, journal = {Ceramics International}, volume = {45}, year = {2019}, month = {AUG }, pages = {14490-14499}, type = {Article}, abstract = {

The manuscript primarily describes the influence of various synthesis strategies on the photocatalytic properties of MWCNT/TiO2 binary nanohybrids. The multiwalled carbon nanotube modified titania hybrids synthesized via two-step reaction involving the covalent functionalization with green and mild oxidizing agent like H2O2, followed by simple surfactant/template free hydrothermal synthesis exhibited the maximum photocatalytic efficiency. The Total Organic Carbon (TOC) analysis showed complete mineralization of the persistent Rhodamine B dye in about 8 h. These synthesized nanohybrids in varying MWCNT content were tested for their photocatalytic efficiency in the degradation of explosive effluents like 4-nitrophenol and picric acid. The UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS), X-ray photoelectron spectroscopy (XPS), Brunauer Emmett Teller Surface area analysis (BET), Fourier transform infrared spectroscopy (FT-IR), Transmission electron microscopy (TEM) and Raman spectra analysis evidently revealed the effective synergistic interaction between the MWCNT and titania at the interface that has contributed to the significant enhancement of photocatalytic performance.

}, keywords = {Functionalization, Multiwalled carbon nanotubes (MWCNTs), Nitrophenol (4-NP), Photocatalysis, Picric acid (PA), Rhodamine B (RhB), Sol gel and hydrothermal method, synergistic effects, Titania (TiO2), Total organic carbon content (TOC)}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2019.04.058}, author = {Joseph, Honey Mary and Sugunan, S. and Gurrala, Lakshmiprasad and Mohan, Mothi Krishna and Gopi, Soumya} } @article {46249, title = {New porous high surface area, tio2 anatase/sapo-35 mild bronsted acidic nanocomposite: synthesis, characterization and studies on it{\textquoteright}s enhanced photocatalytic activity.}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {AUG}, pages = {9135-9142}, type = {Article}, abstract = {

Anatase TiO2 and Levyne type microporous silico alumino phosphate SAPO-35 are synthesized by using hydrothermal method. TiO2/SAPO-35 nanocomposites were prepared by sol-gel method with different weight ratios. The synthesized materials were characterized by various analytical techniques such as PXRD, SEM/EDAX, TG/DTA, BET-Surface area, FT-IR, UV-Vis, XPS, MAS-NMR and photocatalytic study. From PXRD results it clearly evidenced that, the TiO2 anatase peaks and SAPO-35 combined peaks are in the composite. The spherical shaped TiO2 nanoparticles were found to be dispersed over the rhombohedral SAPO-35 particles, which was analysed by SEM. BET-surface area analysis revealed that, the calcined SAPO-35 has the surface area of 448 m(2)/g, was decreased to 222 m(2)/g for composite which is due to the presence of TiO2 particles having surface area of 85 m(2)/g on the surface of SAPO-35. The oxidation state and co-ordination of various elements present in nanocomposite was composed by X-ray photoelectron spectroscopy. MAS-NMR analysis has shown that SAPO-35 has tetrahedral Al, P and Si oxides. Eventhough Al is unique Si and P are in two different environment namely one in S6R and another in D6R with double intensity. The photocatalytic performance of methylene blue degradation under sunlight radiation by the synthesized TiO2/SAPO-35 was analyzed. The TiO2/SAPO-35 composites degrade the methylene blue under sunlight irradiation in 25 minutes against 90 minuts for pure TiO2 anatase. A plausible mechanism on photocatalytic activity is also proposed.

}, doi = {10.1002/slct.201902134}, author = {Siliveri, Suresh and Chirra, Suman and Tyagi, Chinkit and Gandamalla, Ambedkar and Adepu, Ajay Kumar and Goskula, Srinath and Gujjula, Sripal Reddy and Venkatathri, Narayanan} } @article {46021, title = {N-Heterocyclic carbene-catalyzed umpolung of imines for the enantioselective synthesis of dihydroquinoxalines}, journal = {ACS Catalysis}, volume = {9}, year = {2019}, month = {MAY}, pages = {4065-4071}, type = {Article}, abstract = {

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

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

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

}, keywords = {cobalt, Galactosylation, glycosylation, Nickel, Process variability, Trace metals}, issn = {0966-0844}, doi = {10.1007/s10534-018-0152-0}, author = {Prabhu, A. and Gadgil, M.} } @article {46128, title = {NMR structure and dynamics of inhibitory repeat domain variant 12, a plant protease inhibitor from Capsicum annuum, and its structural relationship to other plant protease inhibitors}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2019}, month = {APR}, type = {Article; Early Access}, abstract = {

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

}, keywords = {Bt transgenic, Capsicum annuum, Helicoverpa armigera, inhibitory repeating domains, NMR structure, Protease inhibitors (PIs)}, issn = {0739-1102}, doi = {10.1080/07391102.2019.1607559, Early Access Date = APR, Early Access Year = 2019}, author = {Gartia, Janeka and Anangi, Raveendra and Joshi, Rakesh S. and Giri, Ashok P. and King, Glenn F. and Barnwal, Ravi P. and Chary, Kandala V. R.} } @article {46359, title = {Non nucleoside reverse transcriptase inhibitors, molecular docking studies and antitubercular activity of thiazolidin-4-one derivatives}, journal = {Current Computer-Aided Drug Design}, volume = {15}, year = {2019}, month = {JAN}, pages = {433-444}, type = {Article}, abstract = {

Background: Management of Co-existence of Acquired immunodeficiency syndrome and Tuberculosis has become a global challenge due to the emergence of resistant strains and pill burden. Objective: Hence the aim of the present work was to design and evaluate compounds for their dual activity on HIV-1 and Tuberculosis (TB). Methods: A series of seven, novel Thiazolidin-4-one derivatives were synthesized and evaluated for their anti-HIV and anti-tubercular activity along with Molecular docking studies. All the seven compounds displayed promising activity against the replication of HIV-1 in cell-based assays. The four most active compounds were further evaluated against X4 tropic HIV-1(UG)(070) and R5 tropic HIV-1(vB59) primary isolates. The binding affinity of all the designed compounds for HIV-RT and Mycobacterium tuberculosis Enol Reductase (MTB InhA) was gauged by molecular docking studies which revealed crucial thermodynamic interactions governing their binding. Results: The CC50 values for the test compounds were in the range of, 15.08-34.9 mu g/ml, while the IC50 values were in the range of 16.1-27.13(UG(070); X4) and 12.03-23.64 (VB59; R5) mu g/ml. The control drug Nevirapine (NVP) exhibited CC50 value of 77.13 mu g/ml and IC50 value of 0.03 mu g/ml. Amongst all these compounds, compound number 3 showed significant activity with a TI value of 2.167 and 2.678 against the HIV-1 X4 and the R5 tropic virus respectively. In anti-mycobacterial screening, the compounds proved effective in inhibiting the growth of both log phase and starved MTB cultures. Conclusion: Compound 3 has been found to be active against HIV-1 as well as MTB.

}, keywords = {anti-HIV-1 activity, Antitubercular activity, human immunodeficiency virus-1, Molecular docking, Non nucleoside reverse transcriptase, thiazolidin-4-ones}, issn = {1573-4099}, doi = {10.2174/1573409915666181221102903}, author = {Chitre, Trupti S. and Patil, Shital M. and Sujalegaonkar, Anagha G. and Asgaonkar, Kalyani D. and Khedkar, Vijay M. and Garud, Dinesh R. and Jha, Prakash C. and Gaikwad, Sharddha Y. and Kulkarni, Smita and Choudhari, Amit and Sarkar, Dhiman} } @article {46307, title = {Novel fatty alkene from marine bacteria: a thermo stable biosurfactant and its applications}, journal = {Journal of Hazardous Materials}, volume = {380}, year = {2019}, month = {DEC}, pages = {UNSP 120868}, type = {Article}, abstract = {

In this study, a novel thermo stable biosurfactants, 1-Pentanonacontene (C95H190) a fatty alkene and 3-Hydroxy16-methylheptadecanoic acid (C18H36O3) were isolated from a marine isolate SGD-AC-13. Biosurfactants were produced using 1\% yeast extract in tap water as production medium at 24 h in flask and 12 h in bioreactor. Using 16S rRNA gene sequence (1515 bp) and BCL card (bioMerieux VITEK (R)), strain was identified as Bacillus sp. Crude biosurfactant reduced the surface tension of distilled water to 31.32 +/- 0.93 mN/m with CMC value of 0.3 mg/ml. Cell free supernatant showed excellent emulsification and oil displacement activity with stability up to 160 degrees C, pH 6-12 and 50 g/L NaCl conc. Biosurfactants were characterized using FTIR, TLC, HPLC LC-MS and NMR spectroscopy. Cell free supernatant reduced the contact angle of distilled water droplet from 117 degrees to 52.28 degrees and of 2\% pesticide from 78.77 degrees to 73.42 degrees while 750 mu g/ml of crude biosurfactant reduced from 66.06 degrees to 56.33 degrees for 2\% pesticide and recovered 35\% ULO and 12\% HWCO from the contaminated sand. To our best of knowledge, this is the first report of thermo stable fatty alkene as a biosurfactant and is structurally different from previously reported, with having potential application in agriculture, oil recovery and bioremediation.

}, keywords = {Bioremediation, Biosurfactants, Fatty alkene, Thermo stability, Wettability}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2019.120868}, author = {Ram, Hari and Sahu, Amit Kumar and Said, Madhukar S. and Banpurkar, Arun G. and Gajbhiye, Jayant M. and Dastager, Syed G.} } @article {46270, title = {Novel synthetic approach for designing metal-free, redox-active quinoxaline-benzimidazole-based organic polymers with high energy storage capacity}, journal = {New Journal of Chemistry}, volume = {44}, year = {2019}, month = {OCT}, pages = {14806-14817}, type = {Article}, abstract = {

New organic framework materials, namely, polyphenylquinoxaline (QOP) and polyphenylquinoxaline-benzimidazole (QOP-BOP) were designed using a high-temperature (\>100 degrees C) polymerization reaction with different monomers, i.e., 2,5-bis-[(4-benzoylcarbonyl)phenyl]-3-4 diphenyl thiophene (BbcPDT), aromatic tetraamines and biphenyl dicarboxylic acid. The QOP-BOP copolymer exhibited specific capacitance (SC) of 305 F g(-1) at the current density of 2 A g(-1) and 88\% retention of its initial specific capacitance after 1000 cycles, which resulted in good cyclic stability. This work establishes the first use of thiophene integrated with quinoxaline-benzimidazole units for energy storage applications and provides strategies for further developments in the performance of such conjugated materials. Cyclic voltammetry, charge-discharge and electrochemical impedance techniques were used to evaluate the electrochemical parameters, which demonstrated their potential in future energy storage devices.

}, doi = {10.1039/c9nj02877c}, author = {Salunkhe, Pravin S. and Patil, Yuvraj S. and Dhole, Indrajeet A. and Kalshetti, Basavraj S. and Patil, Vikas B. and Mane, Shivshankar R. and Ghanwat, Anil A.} } @article {45589, title = {One-pot three-component synthesis and photophysical properties of highly fluorescent novel 4-alkyl-3-aryl-2,6-dicyanoanilines by using tris(hydroxymethyl)aminomethane as a catalyst}, journal = {Chemical Data Collections}, volume = {19}, year = {2019}, month = {FEB}, pages = {Article No: 100172}, type = {Article}, abstract = {Novel 4-alkyl-3-aryl-2,6-dicyanoanilines were synthesized by a multi-component one-step reaction of aromatic aldehyde, malononitrile and aliphatic aldehyde using tris(hydroxymethyl)aminomethane (THAM) as a catalyst under microwave (MW) irradiation or conventional heating. The optimized reaction condition involved use of 2.5 equivalents of THAM under MW irradiation at 140 W using 20\% MW power for 5 min or conventional heating at 80 {\textdegree}C for 8 h in dimethylformamide. The photophysical properties including λmax, quantum yield and Stokes{\textquoteright} shifts of newly synthesized molecules were studied. All compounds exhibited quantum yield in the range of 0.04{\textendash}0.52 with respect to standard quinine sulphate having quantum yield 0.54. The Stokes{\textquoteright} shifts of all compounds were found in the range of 41{\textendash}105 nm. The current strategy provides operationally simple protocol using THAM as a catalyst to synthesize 4-alkyl-3-aryl-2,6-dicyanoanilines with diverse structural features to make them available for exploration of their photophysical as well as biological applications.}, doi = {10.1016/j.cdc.2018.100172}, author = {Kudale, A. S. and Kamble, S. B. and Gore, A. H. and Pisal, M. M. and Salokhe, A. T. and Kolekar, G. B. and Helavi, V. B.} } @article {46237, title = {Oxidative disproportionation of MoS2/GO to MoS2/MoO3-x/RGO : integrated and plasmonic 2D-multifunctional nanocomposites for solar hydrogen generation from near-infrared and visible regions}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {SEP}, pages = { 21685-21693}, type = {Article}, abstract = {

Two dimensional (2D) semiconductor materials have been recently demonstrated to be effective plasmonic materials and alternatives to costly noble metals. However, tuning the plasmon resonance of 2D semiconductors and integrating with another material or semiconductor for various applications, such as solar light harvesting, remains a challenge. Herein, we designed a simple and attractive method, which facilitates the diffusion of oxygen from the graphene oxide (GO) layers of the MoS2/GO (MG) composite to oxidize the MoS2 layers significantly due to thermal treatment under inert atmosphere. This is the key step in the formation of MoS2/MoO3-x/RGO (MMR) (x = 0, 0.5, and 1, and all stoichiometries co-exist), due to disproportionation of MoS2/GO, with bulk heterojunctions among the components. The observed behavior is attributed to the oxidation of Mo4+ cations (of MoS2) to higher oxidation states in MMR (Mo(5+ )and Mo6+ of MoO3-x), which also alters the valence-band electronic structure and work function of the resulting composite. The 2D MoO3-x layers with a large amount of Mo5+ oxidation states enables facile charge carrier generation due to plasmonic effect, whereas MoS2 provides active sites for catalysis. The solar H-2 generation was demonstrated in the visible and near-infrared region by combining both the plasmonic and catalytic effects in one composite. These results demonstrate the important role of RGO to provide energy-level alignment, charge carrier diffusion, and help to generate plasmonic effect in the composite.

}, author = {Patra, Kshirodra Kumar and Ghosalya, Manoj Kumar and Bajpai, Himanshu and Raj, Sreeya and Gopinath, Chinnakonda S.} } @article {45620, title = {Paintable room-temperature phosphorescent liquid formulations of alkylated bromonaphthalimide}, journal = {Angewandte Chemie - International Edition}, volume = {58}, year = {2019}, month = {FEB}, pages = {2284-2288}, type = {Article}, abstract = {Organic phosphors have been widely explored with an understanding that crystalline molecular ordering is a requisite for enhanced intersystem crossing. In this context, we explored the room-temperature phosphorescence features of a solvent-free organic liquid phosphor in air. While alkyl chain substitution varied the physical states of the bromonaphthalimides, the phosphorescence remained unaltered for the solvent-free liquid in air. As the first report, a solvent-free liquid of a long swallow-tailed bromonaphthalimide exhibits room-temperature phosphorescence in air. Doping of the phosphor with carbonyl guests resulted in enhanced phosphorescence, and hence a large-area paintable phosphorescent liquid composite with improved lifetime and quantum yield was developed.}, doi = {10.1002/anie.201811834}, author = {Goudappagouda and Manthanath, A. and Wakchaure, V. C. and Ranjeesh, K. C. and Das, T. and Vanka, K. and Nakanishi, T. and Babu, S. S.} } @article {46438, title = {Pathways to defense metabolites and evading fruit bitterness in genus Solanum evolved through 2-oxoglutarate-dependent dioxygenases}, journal = {Nature Communications}, volume = {10}, year = {2019}, month = {NOV}, pages = {5169}, type = {Article}, abstract = {

The genus Solanum comprises three food crops (potato, tomato, and eggplant), which are consumed on daily basis worldwide and also producers of notorious anti-nutritional steroidal glycoalkaloids (SGAs). Hydroxylated SGAs (i.e. leptinines) serve as precursors for leptines that act as defenses against Colorado Potato Beetle (Leptinotarsa decemlineata Say), an important pest of potato worldwide. However, SGA hydroxylating enzymes remain unknown. Here, we discover that 2-OXOGLUTARATE-DEPENDENT-DIOXYGENASE (2-ODD) enzymes catalyze SGA-hydroxylation across various Solanum species. In contrast to cultivated potato, Solanum chacoense, a widespread wild potato species, has evolved a 2-ODD enzyme leading to the formation of leptinines. Furthermore, we find a related 2-ODD in tomato that catalyzes the hydroxylation of the bitter a-tomatine to hydroxytomatine, the first committed step in the chemical shift towards downstream ripening-associated non-bitter SGAs (e.g. esculeoside A). This 2-ODD enzyme prevents bitterness in ripe tomato fruit consumed today which otherwise would remain unpleasant in taste and more toxic.

}, issn = {2041-1723}, doi = {10.1038/s41467-019-13211-4}, author = {Cardenas, Pablo D. and Sonawane, Prashant D. and Heinig, Uwe and Jozwiak, Adam and Panda, Sayantan and Abebie, Bekele and Kazachkova, Yana and Pliner, Margarita and Unger, Tamar and Wolf, Dalia and Ofner, Itai and Vilaprinyo, Ester and Meir, Sagit and Davydov, Olga and Gal-On, Amit and Burdman, Saul and Giri, Ashok and Zamir, Dani and Scherf, Tali and Szymanski, Jedrzej and Rogachev, Ilana and Aharoni, Asaph} } @article {46343, title = {Phase transfer ceria-supported nanocatalyst for nitrile hydration reaction}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {OCT }, pages = {16037-16044}, type = {Article}, abstract = {

The present study elaborates the catalytic effect of rare-earth metal oxides (Sm2O3 and La2O3) over ceria as a support phase transfer catalyst. The synthesized catalysts have been subjected to different characterization techniques, such as field-emission scanning electron microscopy, high-resolution transmission electron microscopy, powder X-ray diffraction, N-2 adsorption-desorption (BET surface analysis), temperature-programmed desorption study (NH3/CO2-TPD), Fourier transform infrared, Raman analysis, and X-ray photoelectron spectroscopy to get better insights into the catalytic activity of the catalysts for hydration of nitrile.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b02173}, author = {Gupta, Nikitra N. and Punekar, Amrin S. and Raj, Karthik Raja E. K. and Ghodekar, Medha M. and Patil, Vipul S. and Gopinath, Chinnakonda S. and Raja, Thirumalaiswamy} } @article {46251, title = { Phosphite-Catalyzed C-H allylation of azaarenes via an enantioselective [2,3]-Aza-wittig rearrangement }, journal = {Angewandte Chemie-International Edition}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

A phosphite-mediated [2,3]-aza-Wittig rearrangement has been developed for the regio- and enantioselective allylic alkylation of six-membered heteroaromatic compounds (azaarenes). The nucleophilic phosphite adducts of N-allyl salts undergo a stereoselective base-mediated aza-Wittig rearrangement and dissociation of the chiral phosphite for overall C-H functionalization of azaarenes. This method provides efficient access to tertiary and quaternary chiral centers in isoquinoline, quinoline, and pyridine systems, tolerating a broad variety of substituents on both the allyl part and azaarenes. Catalysis with chiral phosphites is also demonstrated with synthetically useful yields and enantioselectivities.

}, doi = {10.1002/anie.201906681}, author = {Motaleb, Abdul and Rani, Soniya and Das, Tamal and Gonnade, Rajesh G. and Maity, Pradip} } @article {46049, title = {Phyto-inspired cyclic peptides derived from plant Pin-II type protease inhibitor reactive center loops for crop protection from insect pests}, journal = {Biochimica ET Biophysica Acta-General Subjects}, volume = {1863}, year = {2019}, month = {AUG}, pages = {1254-1262}, type = {Article}, abstract = {

Background: Natural defence of plants against insect pests involves protease inhibitors (PIs) that interfere with insect digestive proteases. Pin-II type plant PIs are wound inducible upon insect damage and possess multiple inhibitory repeat domains that can inhibit trypsin and chymotrypsin-like proteases in the insect midgut. Yet, their agricultural ex-vivo application is limited due to large molecular size and environmental instability, which could be overcome by small peptides. Methods: Bicyclic peptides were designed by grafting Pin-II PIs derived reactive center loop (RCL) on synthetic tris(bromomethyl)benzene scaffold. In vitro binding with trypsin-like proteases was evaluated by biochemical and biophysical assays, followed by molecular dynamics simulations. In vivo effects on two major lepidopteran insect pests, Helicoverpa armigera and Spodoptera litura were studied upon feeding with peptide treated leaves. Affinity based pull down assays were used to identify target proteins in insect gut. Results: Bicyclic RCLs showed ten-fold enhanced protease inhibition compared to their linear counterparts. They exhibited feeding deterrence and growth reduction of lepidopteran insects. Bicyclic peptides predominantly interact with midgut serine proteases. Possible binding modes involve simultaneous interaction with the active site and specificity-determining residues of insect gut trypsin. Conclusion: Bicyclic peptides are potent inhibitors of serine proteases in the insect midgut. They cause feeding aversion and larval growth retardation. Bi-domain cyclic peptides interact with two sites on trypsin, leading to enhanced efficacy over linear RCL peptides. General significance: Bicyclic peptides mimic natural PIs by inhibiting insect proteases leading to growth reduction, thus, could be used as pest control molecules in agriculture.

}, keywords = {Cyclic peptide, Lepidoptera, Pest control, protease inhibitor, Reactive loop}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2019.05.003}, author = {Sailthedkar, Nidhi S. and Joshi, Rakesh S. and Yadav, Amit K. and Seal, Shubhendu and Fernandes, Moneesha and Giri, Ashok P.} } @article {47172, title = {Polyesteramide of neem oil and its blends as an active nanomaterial for tissue regeneration}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {JUL}, pages = {3341{\textendash}3351}, type = {Article}, abstract = {

Neem oil gained importance due to its antibacterial properties. Therefore, it is extensively being used for various applications. Oils can be polymerized as a polyesteramide to extend their utility as biomaterials. In our studies, we synthesized polyesteramide from neem oil and various compositions of blends were prepared with the drug, chlorohexidine digluconate (CH) to develop a nanomaterial for tissue regeneration. The studies such as cytotoxicity, biodegradable, antibacterial, in vitro drug release, in vivo wound healing, and histopathological studies were performed to identify their potential for tissue regeneration. In vivo wound healing studies of the nanofiber mats with and without CH recorded a faster healing rate as compared to the commercial cream (povidone{\textendash}iodine). Most importantly, there was no requirement of repeated application of nanofiber mats during the treatment. The histopathology studies also suggested the re-epithelialization of the wounds. Hence, these nanomaterials are considered to be environmentally safe scaffolds for efficient tissue regeneration applications.

}, doi = {10.1021/acsabm.9b00354}, author = {Killi, Naresh and Pawar, Anil Tukaram and Gundloori, Rathna V. N.} } @article {46148, title = {Polyhydroxyalkanoates as biomaterials (vol 8, pg 1774, 2017)}, journal = {MedChemComm}, volume = {10}, year = {2019}, month = {APR }, pages = {621}, type = {Correction}, abstract = {

Correction for {\textquoteleft}Polyhydroxyalkanoates as biomaterials{\textquoteright} by Bhagyashri S. Thorat Gadgil et al., Med. Chem. Commun., 2017, 8, 1774-1787.

}, issn = {2040-2503}, doi = {10.1039/c9md90017a}, author = {Gadgil, Bhagyashri S. Thorat and Killi, Naresh and Rathna, Gundloori V. N.} } @article {46308, title = {Polylactic acid: synthesis and biomedical applications}, journal = {Journal of Applied Microbiology}, volume = {127}, year = {2019}, month = {DEC}, pages = {1612-1626}, type = {Review}, abstract = {

Social and economic development has driven considerable scientific and engineering efforts on the discovery, development and utilization of polymers. Polylactic acid (PLA) is one of the most promising biopolymers as it can be produced from nontoxic renewable feedstock. PLA has emerged as an important polymeric material for biomedical applications on account of its properties such as biocompatibility, biodegradability, mechanical strength and process ability. Lactic acid (LA) can be obtained by fermentation of sugars derived from renewable resources such as corn and sugarcane. PLA is thus an eco-friendly nontoxic polymer with features that permit use in the human body. Although PLA has a wide spectrum of applications, there are certain limitations such as slow degradation rate, hydrophobicity and low impact toughness associated with its use. Blending PLA with other polymers offers convenient options to improve associated properties or to generate novel PLA polymers/blends for target applications. A variety of PLA blends have been explored for various biomedical applications such as drug delivery, implants, sutures and tissue engineering. PLA and their copolymers are becoming widely used in tissue engineering for function restoration of impaired tissues due to their excellent biocompatibility and mechanical properties. The relationship between PLA material properties, manufacturing processes and development of products with desirable characteristics is described in this article. LA production, PLA synthesis and their applications in the biomedical field are also discussed.

}, keywords = {Biocompatible, biodegradable, drug delivery, implants, l- and d-lactic acid, polylactic acid}, issn = {1364-5072}, doi = {10.1111/jam.14290}, author = {Singhvi, M. S. and Zinjarde, S. S. and Gokhale, D. V.} } @article {47174, title = {Population genetic and phytochemical dataset of Saraca asoca: a traditionally important medicinal tree}, journal = {Data in Brief}, volume = {25}, year = {2019}, month = {AUG}, pages = {104173}, type = {Article}, abstract = {

The data presented in this article is in support of the research paper {\textquotedblleft}Genetic and phytochemical investigations for understanding population variability of the medicinally important tree Saraca asoca to help develop conservation strategies{\textquotedblright} Hegde et\ al., 2018. This article provides PCR based Inter-Simple Sequence Repeat (ISSR) and HPLC datasets of 106 individual samples of Saraca asoca collected from various geographical ranges of the Western Ghats of India. The ISSR data includes information on genetic diversity and images of population structures generated through amplified DNA products from samples of Saraca asoca leaf. Phytochemical data obtained from HPLC includes concentration (mg/g) of gallic acid (GA), catechin (CAT), and epicatechin (EPI). The data also presents information obtained from various statistical analysis viz. standard error of the mean values, distribution variables, prediction accuracy, and multiple logistic regression analysis.

}, doi = {10.1016/j.dib.2019.104173}, author = {Hegde, Satisha and Pai, Sandeep Ramchandra and Bhagwat, Rasika M. and Sainia, Archana and Rathore, Poonam Kanwar and Jalalpure, Sunil Satyappa and Hegde, Harsha Vasudev and Sugunan, Attayoor Purushottaman and Gupta, Vidya S. and Kholkute, Sanjiva D. and Roy, Subarna} } @article {47161, title = {Potent chitin-hydrolyzing enzyme from Myrothecium verrucaria affects growth and development of Helicoverpa armigera and plant fungal pathogens}, journal = {International Journal of Biological Macromolecules}, volume = {141}, year = {2019}, month = {DEC }, pages = {517-528}, type = {Article}, abstract = {

Chitin, a crucial structural and functional component of insects and fungi, serves as a target for pest management by utilizing novel chitinases. Here, we report the biocontrol potential of recombinant Myrothecium verrucaria endochitinase (rMvEChi) against insect pest and fungal pathogens. A complete ORF of MvEChi (1185 bp) was cloned and heterologously expressed in Escherichia coli. Structure based sequence alignment of MvEChi revealed the presence of conserved domains SXGG and DXXDXDXE specific for GH-18 family, involved in substrate binding and catalysis, respectively. rMvEChi (46.6 kDa) showed optimum pH and temperature as 7.0 and 30 degrees C, respectively. Furthermore, rMvEChi remained stable within the pH range of 6.0 to 8.0 and up to 40 degrees C. rMvEChi exhibited k(cat)/K-m values of 129.83 x 10(3) [(g/L)(-1) s(-1)] towards 4MU chitotrioside. Hydrolysis of chitooligosaccharides with various degrees of polymerization (DP) using rMvEChi indicated the release of DP2 as main end product with order of reaction as DP6 \> DP5 \> DP4 \> DP3. Bioassay of rMvEChi against Helicoverpa armigera displayed potent anti-feedant activity and induced mortality. In vitro antifungal activity against plant pathogenic fungi (Ustilago maydis and Bipolaris sorokiniana) exhibited significant inhibition of mycelium growth. These results suggest that MvEChi has significant potential in enzyme-based pest and pathogen management. (C) 2019 Elsevier B.V. All rights reserved.

}, keywords = {Biocontrol, endochitinase, Myrothecium verrucaria}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2019.09.031}, author = {Vidhate, Ravindra P. and Bhide, Amey J. and Gaikwad, Sushama M. and Giri, Ashok P.} } @article {46352, title = {Proline catalyzed sequential alpha-amination/ Prins/ Ritter amidation of aldehydes: new method of construction of tetrahydropyran units}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {58}, year = {2019}, month = {SEP}, pages = {1019-1028}, type = {Article}, abstract = {

An efficient {\textquoteleft}{\textquoteleft}one-pot{\textquoteright}{\textquoteright} synthetic method toward highly substituted tetrahydrofuran (THP) units is reported. The key transformation involves an atom-efficient sequential proline catalyzed alpha-amination of aldehydes to give alpha-aminated aldehydes in situ and the subsequent cyclomerization with homoallylic alcohols under Prins/Ritter conditions. Notably, this method provides access to enantiopure 1,2-syn and 1,4-anti diamino alcohols via reductive ring opening of THP units.

}, keywords = {alpha-aminoxylation, organocatalysis, Proline catalyzed, sequential, tetrahydropyran unit}, issn = {0376-4699}, author = {Ahuja, Brijbhushan and Gadakh, Sunita and Sudalai, Arumugam} } @article {46158, title = {Promising visible-light driven hydrogen production from water on a highly efficient CuCo2S4 nanosheet photocatalyst}, journal = {Journal of Materials Chemistry A}, volume = {7}, year = {2019}, month = {MAR }, pages = {6985-6994}, type = {Article}, abstract = {

Here we report the development of CuCo2S4 nanosheets (NSs) as a promising semiconductor photocatalyst for the first time for water splitting reactions under visible light ( 420 nm) conditions, without the support of any noble metal co-catalyst. These NSs were produced via a simple hydrothermal route and have desirable properties with a band gap of 2.24 eV, and are photo-catalytically active under visible light with an apparent quantum yield (AQY) of 2.48\%. Under visible light, CuCo2S4 NSs exhibit excellent weight-normalized photoactivity that generates approximate to 25900 mol h(-1) H-2 for 1 g of material with sulphide + sulphite as the sacrificial agent under 7.68 mW cm(-2) illumination, which is the best evolution reported for any chalcogenide semiconductor material without any co-catalyst to date with unprecedented long-term operational stability (up to 12 h study time). The rate and number of hydrogen gas molecules produced are 8.2855 x 10(15) s(-1) cm(-2) which remained constant for three catalytic cycles with a turnover frequency (TOF) value of 0.017 s(-1). The effect of Cu substitution on photoactivity was also investigated for comparative studies and it was found that CuCo2S4 NSs show superior activity to Cu0.5Co2.5S4 and Co3S4. These CuCo2S4 NSs absorb the entire visible range of the spectrum from 420 to 800 nm, and have a highly populated density of states at the Fermi level and a high donor concentration of 7.22 x 10(18) cm(-3) which have been evaluated by Mott-Schottky analysis and favourable adsorption of H+ on S-sites and conversion to H-2 corroborate their efficient photocatalytic activity.

}, issn = {2050-7488}, doi = {10.1039/c9ta00391f}, author = {Chauhan, Meenakshi and Soni, Kiran and Karthik, P. E. and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {45625, title = {Protein α-amylase inhibitor from withania somnifera and its role in overall quality and nutritional value improvement of potato chips during processing}, journal = {Food and Bioprocess Technology }, volume = {12}, year = {2019}, month = {APR}, pages = {636-644}, type = {Article}, chapter = {636-644}, abstract = {

Cold storage and processing increase the reducing sugar level in potato (Solanum tuberosum L.) which is responsible for browning and acrylamide formation that adversely affect sensory and nutrient quality of chips. Effect of α-amylase inhibitor from Withania somnifera (WSAI) treatment on the overall quality improvement of potato chips during processing was studied. WSAI treatment to potato slices at 200 ppm for 30 min was found to reduce browning (60\%), residual amylase, and polyphenol oxidase activities (~ 40\%) and reduce sugar level by 25\%, respectively, over control. Color match analysis indicated an improvement in whiteness and brightness indices and a significant reduction in yellowness index of potato chips. The treatment proved to be superior over blanching and reduction in acrylamide generation during frying was which also observed in chips treated with it. Furthermore, our results were comparable to that of treatment with α-amylase inhibitor of Triticum aestivum and better than synthetic inhibitor, acarbose.

}, keywords = {Acrylamide, alpha-amylase inhibitor, Browning of potato, Reducing sugars, Sensory and nutrient quality}, issn = {1935-5130}, doi = {10.1007/s11947-019-2233-7 }, author = {Kasar, S. S. and Giri, A. P. and Pawar, P. K. and Maheshwari, V. L.} } @article {46146, title = {Proteins as nanocarriers to regulate parenteral delivery of tramadol}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {APR}, pages = {6301-6310}, type = {Article}, abstract = {

Tramadol (Td) is a centrally acting opioid analgesic drug used for the treatment of moderate to severe pain. However, the half-life of Td is about 6-8 h, which is a major drawback. To increase the half-life of Td, it needs to be entrapped in a suitable substrate with the capability to release the drug for an extended period of time. Accordingly, in our studies, new protein blends in various compositions were prepared using hydrophilic (egg albumin) and hydrophobic (zein) proteins and fabricated them as nanoparticles with Td by the desolvation method. The prepared nanoparticles were characterized using analytical techniques. The morphology and diameter of the nanoparticles were determined by an environmental scanning electron microscope. The interactions between Td and proteins were confirmed by fluorescence spectroscopy, and the secondary structural changes were evaluated by circular dichroism. The hemolysis test and MTT assay indicated that the nanoparticles were nontoxic, and drug release studies showed an extended duration of release of Td for more than 48 h. The mechanism of the drug release followed the zero order. The overall studies inferred that these protein based nanoparticles have potential to release Td at a slow rate for an extended period of time. Further manipulation of the protein composition may regulate the duration of Td release for an effective therapy.

}, issn = {2470-1343}, doi = {10.1021/acsomega.8b02060}, author = {Agrawal, Shubhang and Patel, Pratikshkumar R. and Gundloori, Rathna Venkata Naga} } @article {46109, title = {Rapid and efficient sequestration of arsenic from contaminated water using hypertolerant Bacillus L-148 sp.: a two-step process}, journal = {Green Chemistry}, volume = {21}, year = {2019}, month = {MAY }, pages = {2245-2251}, type = {Article}, abstract = {

A fast, robust and green bioreactor for arsenic sequestration from contaminated water was designed. In the two-tier bioreactor, bacterial arsenite detoxification (1 mM) was carried out followed by precipitation of arsenate in 5 min. The precipitate could be used for supercapacitor applications. This bioreactor yielded arsenic free water, therefore, this method can be adopted for scale-up. The combination of hypertolerant bacteria and fast precipitation indicates the robustness of this pilot bioreactor.

}, issn = {1463-9262}, doi = {10.1039/c9gc00878k}, author = {Bagade, Aditi and Nandre, Vinod and Ghosh, Sayanti and Battu, Shateesh and Haram, Santosh and Giri, Ashok and Kodam, Kisan} } @article {45569, title = {Rapid and greener method for utilization of plaster of paris (POP) waste generated from biomedical samples}, journal = {International Journal of Environmental Science and Technology}, volume = {16}, year = {2019}, month = {OCT}, pages = {2475-2480}, type = {Article}, abstract = {

Plaster of Paris (POP) is one of the recalcitrant wastes generated from dentistry and orthopaedic materials used in healthcare sector. The current practice of disposal of POP waste-harbouring biomedical material by incineration is very critical and environmentally unfriendly. The eco-friendly and rapid disintegration of such biomedical-related POP waste was done by treating with ammonium bicarbonate solution (20\% w/v ABC) to form non-hazardous products like ammonium sulphate and calcium carbonate in the form of sludge. The ammonium sulphate (NH4)2SO4 is generally used in agriculture as a chemical fertilizer and calcium carbonate (CaCO3) as an additive in construction sector making this process cost-effective and value addition. Interestingly, 20\% ABC solution also had significant antibiofilm, antimicrobial activity against fungi, yeast and bacterial strains probably due to its high pH-driven osmotic effect. Therefore, 20\% ABC solution finds dual eco-friendly application in disinfection of used POP, especially arising from biomedical waste from patients.

}, keywords = {Biomedical waste, Eco-friendly disintegration, Plaster of Paris waste}, issn = {1735-1472}, doi = {10.1007/s13762-018-2070-7}, author = {Navale, G.R. and Gohil, K.N. and Puppala, K.R. and Shinde, S.S. and Umbarkar, S. and Dharne, M.S.} } @article {46057, title = {Realization of efficient field emitter based on reduced graphene oxide-Bi2S3 heterostructures}, journal = {Physica Status Solidi A-Applications and Materials Science}, year = {2019}, month = {JUL}, pages = {1900121}, type = {Article; Early Access}, abstract = {

Herein, Bi2S3 nanorods and reduced graphene oxide (rGO)-Bi2S3 heterostructures are synthesized using a simple hydrothermal method. The structural, morphological, chemical, and elemental analysis of as-synthesized materials is performed using X-ray diffraction (XRD), Raman spectroscopy, field-emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). Field emission (FE) studies are carried out on both pristine Bi2S3 nanorods and rGO-Bi2S3 heterostructure samples at a base pressure of approximate to 1 x 10(-8) mbar. The results show that the rGO-Bi2S3 heterostructure emitter has superior FE performance compared to pristine Bi2S3 emitters in terms of the turn-on field (2.6 V mu m(-1) at 10 mu A cm(-2)) and threshold field (4.0 V mu m(-1) at 100 mu A cm(-2)) along with a high emission current density of approximate to 1464 mu A cm(-2) at an applied electric field of 7.0 V mu m(-1). The rGO-Bi2S3 heterostructure emitter exhibits very good emission current stability, tested for more than 3 h duration, characterized by standard deviation values approximate to 2.84 and 4.06, corresponding to preset values 12 and 100 mu A. This study implies that one-step hydrothermal route can be efficiently used to synthesize organic-inorganic heterostructures that possess unique morphology. Furthermore, the synthesized rGO-Bi2S3 heterostructure emitter shows potential as an electron source for practical application in vacuum microelectronic devices.

}, keywords = {Bi2S3, field emission, Heterostructures, Nanorods, Reduced graphene oxide}, issn = {1862-6300}, doi = {10.1002/pssa.201900121}, author = {Gote, Gorkshnath H. and Bhopale, Somnath R. and More, Mahendra A. and Late, Dattatray J.} } @article {46332, title = {Regioselective one-pot synthesis of 3-fluoro-imidazo[1,2-a]pyridines from styrene}, journal = {Asian Journal of Organic Chemistry}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {

A one-pot synthesis of C-3 fluorinated imidazopyridines (F-IMPY) is reported under the additive-free conditions from commercially available styrene and 1-fluoropyridinium tetrafluoroborate as a fluorine source. The substrate styrene undergoes keto-bromination/condensation/fluorination transformation in three sequential steps to furnish F-IMPY. This one-pot synthesis method exhibits broad substrate scope and good functional group tolerance with a good yield (up to 82\%).

}, keywords = {fluorination, imidazopyridines (F-IMPY), One-pot synthesis}, issn = {2193-5807}, doi = {10.1002/ajoc.201900521}, author = {Said, Madhukar S. and Mishra, Ankita and Pandole, Satish and Nayak, Rashmi A. and Kumar, Pradeep and Gajbhiye, Jayant M.} } @article {46186, title = {Retraction: organocatalytic stereoselective synthesis of passifloricin A (Retraction of Vol 10, Pg 1820, 2012)}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {FEB}, pages = {2289}, type = {Retraction}, issn = {1477-0520}, doi = {10.1039/c9ob90027f}, author = {Kumar, Pradeep and Pandey, Menaka and Gupta, Priti and Dhavale, Dilip D.} } @article {46176, title = {Robust micropropagation protocol for genetically true to type plants of Phule Arakta pomegranate}, journal = {Indian Journal of Horticulture}, volume = {76}, year = {2019}, month = {MAR}, pages = {23-31}, type = {Article}, abstract = {

A rapid and reproducible micropropagation protocol for pomegranate cv. Phule Arakta has been developed using nodal segments of field grown plant. Bud break was induced in basal Woody Plant Medium (WPM) as well as compared when WPM was supplemented with plant growth regulators. Multiple shoot proliferation was induced in the nodal segments on WPM fortified with different concentration of benzyladenine (BAP) where 2mg/I BAP developed maximum number of shoots. Elongation of shoots was further amplified with the addition of adjuvant silver nitrate. Browning of culture medium was controlled by the addition of polyvinylpyrrolidone (PVP) and regular sub-culturing enhanced shoot multiplication as well as elongation. Rooting was induced in the regenerated shoots using Indole-3-butyric acid (IBA) and 3-Indoleacetic acid where best result was obtained using shock treatment with NAA. Sub-culturing resulted in denser and better rooting. The rooted plantlets were further acclimatized and then established in soil. The clonal fidelity of the in vitro grown cultures was assessed using Random Amplified Polymorphic DNA (RAPD) and Inter Simple Sequence Repeats (ISSR) markers. The 10 RAPD decamers produced 55 bands and 4 ISSR produced 19 bands in total. RAPD primers OPC-08, OPC-13 and OPD-07 produced the highest number of distinct bands and ISSR primer UBC-834 produced maximum distinct bands. All the bands were monomorphic which confirms the genetic fidelity of the in-vitro raised P. granatum cv. Phule Arakta and supported the method of mass production of true to type progenies using tissue culture.

}, keywords = {genetic fidelity, ISSR, Punica granatum, RAPD}, issn = {0972-8538}, doi = {10.5958/0974-0112.2019.00004.5}, author = {Raman, Taramla and Gupta, Vidya S. and Shukla, Susmita} } @article {45628, title = {Role of Li+ and Fe3+ in modified ZnO: Structural, vibrational, opto-electronic, mechanical and magnetic properties}, journal = {Ceramics International}, volume = {45}, year = {2019}, month = {JAN}, pages = {7232-7243}, type = {Article}, abstract = {When Fe is doped in ZnO, a situation of charge imbalance is created due to the higher charge of Fe3+. A charge balance may be obtained by co-doping Li+0.5Fe3+0.5 combinations. A solid solution of Zn1-x(Fe0.5Li0.5)xO (0 <= x <= 0.03125) is synthesized with this viewpoint. The crystallites belong to a wurtzite P63mc space group, with lattice parameters a, b and c increasing nominally for x = 0.0156 and thereafter remaining invariant. The size varies in the range ~ 60{\textendash}142 nm. Interstitials of Li and Zn ions are formed. Along with Fe3+ substitution these defects are reasons for O interstitials. These oxygen interstitials increase the red emission while reduction of oxygen vacancies reduces the green emission. These point defects create structural distortion and strain which can generate Zn vacancies. Bandgap reduces due to shallow defects. Mid-bandgap states due to oxygen interstitials and Fe 3d-O 2p hybridization result in NIR emission. On the other hand the crystal surface deforms due to Li addition which hardens the materials. A weak ferromagnetism appears at very low temperature which is enhanced by Li+ addition. Long range exchange mechanism between Fe3+ ions appears in the samples, mediated by magnetic polarons due to point defects.}, keywords = {hardness, NIR emission, Shallow and deep level defects, Weak ferromagnetism, ZnO}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2019.01.004}, author = {Bajpai, G. and Moirangthem, I. and Sarkar, S. and Barman, S. R. and Vinod, C. P. and Bajpai, S. and Riyajuddin, S. and Ghosh, K. and Basaula, D. R. and Khan, M. and Liu, S. -W. and Biring, S. and Sen, S.} } @article {46193, title = {Ru-catalyzed regioselective cascade annulation of acrylamides with 2-alkynoates for the synthesis of various 6-Oxo nicotinic acid esters}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {FEB }, pages = {1863-1870}, type = {Article}, abstract = {

Ru-catalyzed regioselective cascade annulation of acrylamides with 2-alkynoates via aza-Michael/C-H activation sequence for the synthesis of various 6-oxo nicotinic acid esters is described. The regioselectivity of the protocol has been confirmed by performing silver mediated protodecarboxylation of the corresponding 6-oxo nicotinic acid to furnish 2-pyridone. The developed protocol is copper or silver salt-free and uses inexpensive, safe, and environmentally benign peroxide-based {\textquoteleft}{\textquoteleft}oxone{\textquoteright}{\textquoteright} as the sole oxidant. A redox-neutral version of the protocol is also demonstrated.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02783}, author = {Garad, Dnyaneshwar N. and Mhaske, Santosh B.} } @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 {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 {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 {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 {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 {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 {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 {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 {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 {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 {47483, title = {Synthesis of biphasic nanomaterials based on ZnO and SnO2: application towards photocatalytic degradation of acid red dye}, journal = {Nano-Structures \& Nano-Objects}, volume = {18}, year = {2019}, month = {APR}, type = {Article}, abstract = {Zn2SnO4/SnO2 and ZnO/SnO2 biphasic nanocatalysts have been synthesized by a facile solvothermal method using ethylene glycol (EG) as solvent in three different ways maintaining the pH of the solution at either 3 or 9 followed by calcination at 700 {\textdegree}C. The nanocatalysts are characterized by different techniques to investigate their structure, composition, morphology and optical properties. The XRD results indicate the formation of pristine biphasic composites. The UV-absorbance and photoluminescence spectra confirms the formation of biphasic composites as well as presence of large number of defects in the prepared nanocatalysts. The biphasic nanocomposites possess better photocatalytic activity towards the degradation of Acid Red-183 (AR-183) dye than pristine SnO2 and ZnO nanoparticles. This is mainly due to better charge separation, minimal recombination rate of charge carriers and defect-riched structures of nanocatalysts.}, doi = {10.1016/j.nanoso.2019.100292}, author = {Kudale, Ananada S. and Kamble, Santosh B. and Gore, Anil H. and Pisal, Mahesh M. and Salokhe, Anil T. and Kolekar, Govind B. and Helavi, Vasant B.} } @article {46281, title = {Synthesis of deuterated isopentyl pyrophosphates for chemo-enzymatic labelling methods: GC-EI-MS based 1,2-hydride shift in epicedrol biosynthesis}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {SEP}, pages = { 28258-28261}, type = {Article}, abstract = {

A sesquiterpene epicedrol cyclase mechanism was elucidated based on the gas chromatography coupled to electron impact mass spectrometry fragmentation data of deuterated (H-2) epicedrol analogues. The chemo-enzymatic method was applied for the specific synthesis of 8-position labelled farnesyl pyrophosphate and epicedrol. EI-MS fragmentation ions compared with non-labelled and isotopic mass shift fragments suggest that the H-2 of C6 migrates to the C7 position during the cyclization mechanism.

}, doi = {10.1039/c9ra00163h}, author = {Said, Madhukar S. and Navale, Govinda R. and Gajbhiye, Jayant M. and Shinde, Sandip S.} } @article {46203, title = {Synthesis of hexaphenylbenzene-based template assembled synthetic proteins}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

Template-assembled synthetic proteins (TASPs) synthesized from rigid templates have attracted attention due to their interesting structural architectures and potential biomedical applications. Herein, we report the design, synthesis and characterizations of TASPs based on hexaphenylbenzene template (HPB) having twelve peptide attachable axial-arms in its structure. The peptides were attached to all the axial-arms of the template in a single step using simple solution phase peptide coupling strategy. The reaction conditions were standardized systematically using simple amines from smaller size to larger ones. (C) 2019 Elsevier Ltd. All rights reserved.

}, doi = {10.1016/j.tetlet.2019.07.011}, author = {Madhu, Suresh and Madica, Krishnaprasad and Gonnade, Rajesh and Sanjayan, Gangadhar J} } @article {45524, title = {Terpene profiling, transcriptome analysis and characterization of cis{\textendash}terpineol synthase from Ocimum}, journal = {Physiology and Molecular Biology of Plants}, volume = {25}, year = {2019}, month = {JAN}, pages = {47-57}, type = {Article}, abstract = {

Ocimum species produces a varied mix of different metabolites that imparts immense medicinal properties. To explore this chemo-diversity, we initially carried out metabolite profiling of different tissues of five Ocimum species and identified the major terpenes. This analysis broadly classified these five Ocimum species into two distinct chemotypes namely, phenylpropanoid-rich and terpene-rich. In particular, -caryophyllene, myrcene, limonene, camphor, borneol and selinene were major terpenes present in these Ocimum species. Subsequently, transcriptomic analysis of pooled RNA samples from different tissues of Ocimum gratissimum, O. tenuiflorum and O. kilimandscharicum identified 38 unique transcripts of terpene synthase (TPS) gene family. Full-length gene cloning, followed by sequencing and phylogenetic analysis of three TPS transcripts were carried out along with their expression in various tissues. Terpenoid metabolite and expression profiling of candidate TPS genes in various tissues of Ocimum species revealed spatial variances. Further, putative TPS contig 19414 (TPS1) was selected to corroborate its role in terpene biosynthesis. Agrobacterium-mediated transient over-expression assay of TPS1 in the leaves of O. kilimandscharicum and subsequent metabolic and gene expression analyses indicated it as a cis{\textendash}terpineol synthase. Overall, present study provided deeper understanding of terpene diversity in Ocimum species and might help in the enhancement of their terpene content through advanced biotechnological approaches.

}, keywords = {Agro-infiltration assay, Metabolite profiling, Ocimum, Terpene synthase, Terpenes, Transcriptome}, issn = {0971-5894}, doi = {10.1007/s12298-018-0612-6}, author = {Anand, Atul and Jayaramaiah, Ramesha H. and Beedkar, Supriya D. and Dholakia, Bhushan B. and Lavhale, Santosh G. and Punekar, Sachin A. and Gade, Wasudeo N. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article {46091, title = {Tf2NH catalyzed 1,6-conjugate addition of 2-hydroxy-p-quinone methides with -functionalized ketones: access to 2,3,4,9-Tetrahydro-1H-xanthenones and 4H-Chromene Derivatives}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {JUN }, pages = {3127-3133}, type = {Article}, abstract = {

A Bronsted acid catalyzed tandem 1,6-conjugate sequential cycloaddition reaction using 2-hydroxy-p-quinone methides and -functionalized ketones is reported. The method allows xanthenones and chromenes to be accessed in moderate to excellent yield with broad substrate scope, which could be further functionalized to give a versatile set of products.

}, keywords = {-Functionalized ketone, 1, 6-Conjugated addition, Bronsted acid, Chromenes, Xanthenones}, issn = {1434-193X}, doi = {10.1002/ejoc.201900370}, author = {Satbhaiya, Shruti and Khonde, Nilesh S. and Rathod, Jayant and Gonnade, Rajesh and Kumar, Pradeep} } @article {46053, title = {Thiol and halometallate, mutually passivated quantum dot ink for photovoltaic application}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {JUL}, pages = {26100-26108}, type = {Article}, abstract = {

Tunable-band-gap colloidal QDs are a potential building block to harvest the wide-energy solar spectrum. The solution-phase surface passivation with lead halide-based halometallate ligands has remarkably simplified the processing of quantum dots (QDs) and enabled the proficient use of materials for the development of solar cells. It is, however, shown that the hallometalate ligand passivated QD ink allows the formation of thick crystalline shell layer, which limits the carrier transport of the QD solids. Organic thiols have long been used to develop QD solar cells using the solid-state ligand exchange approach. However, their use is limited in solution-phase passivation due to poor dispersity of thiol-treated QDs in common solvents. In this report, a joint passivation strategy using thiol and halometallate ligand is developed to prepare the QD ink. The mutually passivated QDs show a 50\% reduction in shell thickness, reduced trap density, and improved monodispersity in their solid films. These improvements lead to a 4 times increase in carrier mobility and doubling of the diffusion length, which enable the carrier extraction from a much thicker absorbing layer. The photovoltaic devices show a high efficiency of 10.3\% and reduced hysteresis effect. The improvement in surface passivation leads to reduced oxygen doping and improved ambient stability of the solar cells.

}, keywords = {ligand, mobility, quantum dot, solar cell, surface passivation}, issn = {1944-8244}, doi = {10.1021/acsami.9b07605}, author = {Mandal, Debranjan and Goswami, Prasenjit N. and Rath, Arup K.} } @article {47163, title = {Three-dimensional printing with waste high-density polyethylene}, journal = {ACS Applied Polymer Materials}, volume = {1}, year = {2019}, month = {NOV}, pages = {3157-3164}, type = {Article}, abstract = {

Fused filament fabrication (FFF) three-dimensional (3D) printing of semicrystalline polymers such as high density polyethylene (HDPE) is challenging because crystallization-induced shrinkage of the filament, as it cools, results in stresses that warp the printed part and debond it from the print substrate. Here, we demonstrate that waste-derived HDPE can be successfully 3D printed by (i) blending with a small fraction (\<0.5\% by weight) of dimethyl dibenzylidene sorbitol (DMDBS) and (similar to 10\%) linear low density polyethylene (LLDPE) and (ii) printing the object with a thin {\textquoteleft}{\textquoteleft}brim{\textquoteright}{\textquoteright} around it that is adhered to the print substrate using common polyvinyl acetate-based glue. We match our experimental results with FEM simulations that provide insight into the origin of the stresses developed during printing. Because HDPE forms a significant fraction of the plastic waste stream, conversion of waste-derived HDPE to 3D printing filament has important technological implications.

}, keywords = {3d printing polyethylene printing, polymer blend, Recyclability, warpage}, issn = {2637-6105}, doi = {10.1021/acsapm.9b00813}, author = {Gudadhe, Aniket and Bachhar, Nirmalya and Kumar, Anil and Andrade, Prem and Kumaraswamy, Guruswamy} } @article {46081, title = {TiCl4-n-Bu3N-mediated cascade annulation of ketones with alpha-ketoesters: a facile synthesis of highly substituted fused gamma-alkylidene-butenolides}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {JUN}, pages = {5749-5759}, type = {Article}, abstract = {

A facile protocol for the synthesis of highly substituted fused gamma-alkylidene butenolides using direct annulation of ketones with alpha-ketoesters, which proceeds through TiCl4-n-Bu3N mediated aldol addition followed by an intramolecular enol-lactonization/cyclization cascade, is reported. Diverse 6-5, 7-5 and 8-5 fused bicyclic gamma-ylidene butenolides and highly substituted monocyclic analogs related to biologically relevant natural products were prepared from readily accessible ketone and alpha-ketoester building blocks. The highly step-economic cascade nature, good substrate scope, easy access to complex products with good to excellent yields, gram-scalability, demonstration of synthetic utility, and unambiguous structural confirmation through X-ray crystallography analyses and analogy are the salient features of this work.

}, issn = {1477-0520}, doi = {10.1039/c9ob00649d}, author = {Palange, Megha N. and Gonnade, Rajesh G. and Kontham, Ravindar} } @article {45599, title = {Total synthesis of marine natural products serinolamide A and columbamide D}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {1322{\textendash}1328}, type = {Article}, abstract = {

In this report, an expeditious synthesis of two new biologically active marine natural products serinolamide A and columbamide D is documented. This convergent approach involves the key steps such as hydrolytic kinetic resolution, cross metathesis, Grignard reaction, Johnson{\textendash}Claisen rearrangement, Mitsunobu, and so forth. Both of the target molecules were obtained from a common precursor (R)-7 with high enantioselectivity, less synthetic steps, and in good overall yields (serinolamide A 66\% and columbamide D 62\%).

}, doi = {10.1021/acsomega.8b03417}, author = {Ghotekar, G. S. and Mujahid, M. and Muthukrishnan, M.} } @article {46058, title = {Total synthesis of Met(10)-teixobactin}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {JUL }, pages = {1909-1912}, type = {Article}, abstract = {

The total synthesis of cyclic depsipeptide Met(10)-teixobactin in solution-phase is described. Teixobactin is a structurally and mechanistically novel antimicrobial peptidic natural product with very impressive activities against Gram-positive pathogens. It happens to possess an L-allo-enduracididine (End) residue as part of macrocyclic ring which is not readily accessible. In this report, we have used serine ligation strategy as the key step to prepare an analogue of teixobactin where End being replaced with a readily available amino acid methionine. (C) 2019 Elsevier Ltd. All rights reserved.

}, keywords = {antibiotic, Cyclic tetrapeptides, Serine ligation, Teixobactin}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.06.027}, author = {Gunjal, Vidya B. and Reddy, D. Srinivasa} } @article {46195, title = {Transition-metal-free benzannulation of tricarbonyl derivatives with arynes: access to 1,3-dinaphthol precursors for the synthesis of rhodamine dye analogues}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {FEB}, pages = {2269-2276}, type = {Article}, abstract = {

Herein, we report a transition-metal-free annulation reaction of benzynes and 1,3-oxopentanedioate for the synthesis of highly functionalized naphthalene derivatives for the first time. Additionally, the representative naphthalene derivatives have been successfully transformed into the new series of rhodamine dye analogues.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02560}, author = {Ghotekar, Ganesh S. and Shaikh, Aslam C. and Muthukrishnan, M.} } @article {46293, title = {Using diphenyleneiodonium to induce a viable but non-culturable phenotype in Mycobacterium tuberculosis and its metabolomics analysis}, journal = {Plos One}, volume = {14}, year = {2019}, month = {AUG}, pages = {e0220628}, type = {Article}, abstract = {

Depletion of oxygen levels is a well-accepted model for induction of non-replicating, persistent states in mycobacteria. Increasing the stress levels in mycobacterium bacilli facilitates their entry into a non-cultivable, dormant state. In this study, it was shown that diphenyleneiodonium, an inhibitor of NADH oxidase, induced a viable, but non-culturable state in mycobacteria, having similar features to dormant bacilli, like loss of acid-fastness, upregulation of stress-regulated genes and decreased superoxide levels as compared to actively growing bacilli. Comprehensive, untargeted metabolic profiling also confirmed a decrease in biogenesis of amino acids, NAD, unsaturated fatty acids and nucleotides. Additionally, an increase in the level of lactate, fumarate, succinate and pentose phosphate pathways along with increased mycothiol and sulfate metabolites, similar to dormant bacilli, was observed in the granuloma. These non-cultivable bacilli were resuscitated by supplementation of fetal bovine serum, regaining their culturability in liquid as well as on agar medium. This study focused on the effect of diphenyleneiodonium treatment in causing mycobacteria to rapidly transition from an active state into a viable, but non-cultivable state, and comparing their characteristics with dormant phenotypes.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0220628}, author = {Yeware, Amar and Gample, Suwarna and Agrawal, Sonia and Sarkar, Dhiman} } @article {45627, title = {Utilization of waste biomass for the synthesis of functionalizable support for covalent anchoring of active organo catalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {7}, year = {2019}, month = {JAN}, pages = {3018{\textendash}3026}, type = {Article}, abstract = {A single step synthetic procedure for carbon microspheres from agricultural waste residue (sugarcane bagasse) by low-temperature hydrothermal carbonization using oxalic acid as a hydrating/dehydrating agent is developed. The FTIR and XPS spectroscopy analysis indicates the presence of -OH, -COOH, and C=O functional groups on the surfaces of carbon spheres. These functional groups of the carbon spheres were utilized as a novel route to anchor 3-aminopropyl-triethoxysilane and 3-(2-aminoethylamino)propyl)-trimethoxysilane via condensation of triethoxy/trimethoxy silanes for the synthesis of organo base supported on carbon catalysts. The catalytic activity of the obtained supported organo-base catalyst was demonstrated for C{\textendash}C bond forming (Henry) reaction. Among all prepared catalysts, 3-(2-aminoethylaminopropyl)-trimethoxysilane grafted in toluene showed high conversion (up to 100\%) of aldehydes with excellent selectivity toward β-nitrostyrene. The catalyst was reused five times without losing significant activity for the same reaction.}, author = {Doke, D. S. and Advani, J. H. and Naikwadi, D. R. and Gawande, M. B. and Walke, P. and Umbarkar, S. B. and Biradar, A. V.} } @article {47166, title = {Vivo wound healing performance of halloysite clay and gentamicin-incorporated cellulose ether-PVA electrospun nanofiber mats}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {SEP}, pages = {4324{\textendash}4334}, type = {Article}, abstract = {

Wound healing is a dynamic and complex process that requires a suitable environment to enhance the rapid healing process. In this context, fabrications of nanofibrous materials with antibiotic and antibacterial properties are becoming extremely important. In this present work, we report on the fabrication and characterization of electro-spun cellulose ether-PVA nanofiber mats loaded with halloysite clay (HNT) and gentamicin sulfate (GS) for faster wound healing applications. The morphology of nanofiber mats was examined by SEM and TEM. The average diameter of the nanofiber mats were in the range of 325 {\textpm} 30 nm. The physicochemical characterizations were done by FT-IR and XRD, which reveal the presence of HNT and GS into the nanofibers. The incorporation of halloysite gave good mechanical strength to the nanofiber mats. Swelling studies indicated the hydrophilicity of the mats. In vitro studies revealed that HNTs are nontoxic to L929 fibroblast cells and also promote cell growth and proliferation. The antibacterial property of HNT was also studied. The slow release of GS from the nanofiber mats was observed for a period of 18 days. The in vivo wound healing studies on the wistar rats for 21 days revealed the wound healing faster within 2 weeks by the incorporation of HNT and GS into the nanofiber mats and hence these nanofiber mats show great potential in acute and chronic wound healing applications.

}, doi = {10.1021/acsabm.9b00589}, author = {Wali, Ashwini and Gorain, Mahadeo and Inamdar, Satish and Kundu, Gopal and Badiger, Manohar V.} } @article {44433, title = {VSe2-reduced graphene oxide as efficient cathode material for field emission}, journal = {Journal of Physics and Chemistry of Solids }, volume = {128}, year = {2019}, month = {MAY}, pages = {384-390}, type = {Journal Article}, abstract = {

Field emission properties of pristine VSe2 and its hybrid with reduced graphene oxide (RGO) have been investigated in detail. Promising field emission performance were noted with lower values of turn-on and threshold fields of \~{}1.3 V μm-1 and 2.12 V μm-1 respectively for the VSe2/RGO hybrid which is much more superior than that of pristine VSe2 emitter and other 2D materials. Density Functional Theory (DFT) simulations have also been performed to qualitatively support our experimental observations through demonstration of Density of States and computation of work function for pristine VSe2 and hybrid VSe2/RGO. The lowering of work function and appearance of additional states near Fermi level from carbon p orbital of RGO is responsible for superior field emission characteristics in hybrid VSe2/RGO compared to pristine VSe2 which supports our experimental observations. Our experimental data and theoretical insight from electronic structure simulations strongly infer that the synthesized hybrid VSe2/RGO has the potential to be tailored as efficient and high performance cathode material in field emission based devices.

}, keywords = {cathode material, Chalcogenide, Density functional theory, field emission, Vanadium diselenide, Work function}, issn = {223697}, doi = {10.1016/j.jpcs.2018.02.020}, author = {Ratha, S.}, editor = {Bankar, P.} } @article {46231, title = {Weak intermolecular interactions in covalent organic framework-carbon nanofiber based crystalline yet flexible devices}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

The redox-active and porous structural backbone of covalent organic frameworks (COFs) can facilitate high-performance electrochemical energy storage devices. However, the utilities of such 2D materials as supercapacitor electrodes in advanced self-charging power-pack systems have been obstructed due to the poor electrical conductivity and subsequent indigent performance. Herein, we report an effective strategy to enhance the electrical conductivity of COF thin sheets through the in situ solid-state inclusion of carbon nanofibers (CNF) into the COF precursor matrix. The obtained COF-CNF hybrids possess a significant intermolecular π{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}π interaction between COF and the graphene layers of the CNF. As a result, these COF-CNF hybrids (DqTp-CNF and DqDaTp-CNF) exhibit good electrical conductivity (0.25 {\texttimes} 10{\textendash}3\ S cm{\textendash}1), as well as high performance in electrochemical energy storage (DqTp-CNF: 464 mF cm{\textendash}2\ at 0.25 mA cm{\textendash}2). Also, the fabricated, mechanically strong quasi-solid-state supercapacitor (DqDaTp-CNF SC) delivered an ultrahigh device capacitance of 167 mF cm{\textendash}2\ at 0.5 mA cm{\textendash}2. Furthermore, we integrated a monolithic photovoltaic self-charging power pack by assembling DqDaTp-CNF SC with a perovskite solar cell. The fabricated self-charging power pack delivered excellent performance in the areal capacitance (42 mF cm{\textendash}2) at 0.25 mA cm{\textendash}2\ after photocharging for 300 s.

}, doi = {10.1021/acsami.9b08625}, author = {Mohammed, Abdul Khayum and Vijayakumar, Vidyanand and Halder, Arjun and Ghosh, Meena and Addicoat, Matthew and Bansode, Umesh and Kurungot, Sreekumar and Banerjee, Rahul} } @article {46188, title = {Web-gLV: a web based platform for lotka-volterra based modeling and simulation of microbial populations}, journal = {Frontiers in Microbiology}, volume = {10}, year = {2019}, month = {FEB }, pages = {288}, type = {Article}, abstract = {

The affordability of high throughput DNA sequencing has allowed us to explore the dynamics of microbial populations in various ecosystems. Mathematical modeling and simulation of such microbiome time series data can help in getting better understanding of bacterial communities. In this paper; we present Web-gLV- a GUI based interactive platform for generalized Lotka-Volterra (gLV) based modeling and simulation of microbial populations. The tool can be used to generate the mathematical models with automatic estimation of parameters and use them to predict future trajectories using numerical simulations. We also demonstrate the utility of our tool on few publicly available datasets. The case studies demonstrate the ease with which the current tool can be used by biologists to model bacterial populations and simulate their dynamics to get biological insights. We expect Web-gLV to be a valuable contribution in the field of ecological modeling and metagenomic systems biology.

}, keywords = {lotka-volterra, microbial population, Microbiome, Modeling, numerical-simulation, time-series, visualization, web-server}, issn = {1664-302X}, doi = {10.3389/fmicb.2019.00288}, author = {Kuntal, Bhusan K. and Gadgil, Chetan and Mande, Sharmila S.} } @article {45510, title = {What news in the surface chemistry of bulk and supported vanadia based SCR-catalysts: improvements in their resistance to poisoning and thermal sintering}, journal = {Chemical Record}, volume = {19}, year = {2019}, month = {OCT}, pages = {1813-1828}, type = {Article}, abstract = {

This paper reports a short review on the impact of poisoning effects and thermal aging on the reactivity of surface vanadate species on benchmark V2O5-WO3/TiO2 Selective-Catalytic-Reduction catalysts. A renewed interest of this SCR technology is related to its diversification notably as after-treatment systems to treat the exhaust from Diesel engines with higher running temperature especially when SCR catalysts are coated on Diesel Particulates Filters. Particular attention is also paid to poisoning effects in conjunction with the progressive replacement of fossil fuels by bio-fuels containing alkaline contaminants which drastically deactivate the catalyst through neutralization of strong acid sites. Most of the investigations show that better insight into the mechanisms of poisoning and aging processes is needed especially to understand the relative sensibility of various vanadate species. This could provide original guidelines to catalyst preparation and or the developments of more stable bulk systems as exemplified.

}, doi = {10.1002/tcr.201800092}, author = {Granger, P. and Siaka, H.W. and Umbarkar, S.B.} } @article {46325, title = {Whole proteome analysis of GA(3) response at panicle stage in Grape (Vitis vinifera) CV. Thompson seedless}, journal = {Journal of Plant Growth Regulation}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {

Rachis elongation is a crucial process in producing good quality table grapes. In compact clustered grape variety like Thompson Seedless, treating the flower panicles with a mild dose of GA(3) results in loose clusters. We sprayed GA(3) on Thompson Seedless panicles immediately after emergence, and the samples were collected at 6 h and 24 h after application. Whole proteome analysis revealed significant differential expression of 530 proteins of the total 1288 expressed proteins at two time-points. GO term enrichment analysis revealed enrichment of GO terms related to translation, biosynthetic processes, and photosynthesis in GA(3)-treated samples. As the process of rachis elongation requires enhanced carbon metabolism and accumulation of sugars through the expansion of phloem area, we attribute this to the overexpression of several proteins involved in these processes. Significantly highly expressed proteins also belonged to biological processes like the generation of precursor metabolites, cellular protein metabolic processes, response to abiotic stimulus, and protein metabolic processes. This study might be the first of its kind in deciphering the contribution of a different group of proteins during rachis elongation as an early response to GA(3) application in seedless grapes. These results provide quality information on various physiological and biochemical changes occurring during early stages of rachis elongation.

}, keywords = {Bunch architecture, Gibberellic acid, Proteome, Rachis elongation, Vitis vinifera}, issn = {0721-7595}, doi = {10.1007/s00344-019-10041-y}, author = {Maske, Smita and Upadhyay, Anuradha and Jogaiha, Satisha and Patil, Sucheta S. and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article {46189, title = {Why the thin film form of a photocatalyst is better than the particulate form for direct solar-to-hydrogen conversion: a poor man{\textquoteright}s approach}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {FEB}, pages = {6094-6100}, type = {Article}, abstract = {

We demonstrated an easy method to improve the efficiency of photocatalysts by an order of magnitude by maximizing light absorption and charge carrier diffusion. Degussa titania (P25) and Pd/P25 composite photocatalyst thin films coated over regular glass plates were prepared and evaluated for solar hydrogen production in direct sunlight with aqueous methanol. It is worth noting that only UV light present in direct sunlight (similar to 4\%) was absorbed by the catalysts. The hydrogen production activities of catalysts were compared for thin film and particulate forms at 1 and 25 mg levels. The hydrogen yield values suggested that 1 mg thin film form of Pd/P25 provided 11-12 times higher activity than 25 mg powder form. Comparable light absorption throughout the entire thickness of photocatalyst device and better contact of nanostructures that enabled the charge diffusion and charge utilization at redox sites are the reasons for high efficiency. While solar cells require charge carriers to diffuse through long distances of microns, they are utilized locally in an ensemble of particles (of nanometres) for hydrogen generation in photocatalyst thin films; this concept was used effectively in the present work.

}, issn = {2046-2069}, doi = {10.1039/c8ra09982k}, author = {Nalajala, Naresh and Patra, Kshirodra Kumar and Bharad, Pradnya A. and Gopinath, Chinnakonda S.} } @article {46233, title = {Zinc ion interactions in a two-dimensional covalent organic framework based aqueous zinc ion battery}, journal = {Chemical Science}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

The two-dimensional structural features of covalent organic frameworks (COFs) can promote the electrochemical storage of cations like H+, Li+, and Na+\ through both faradaic and non-faradaic processes. However, the electrochemical storage of cations like Zn2+\ ion is still unexplored although it bears a promising divalent charge. Herein, for the first time, we have utilized hydroquinone linked β-ketoenamine COF acting as a Zn2+\ anchor in an aqueous rechargeable zinc ion battery. The charge-storage mechanism comprises of an efficient reversible interlayer interaction of Zn2+\ ions with the functional moieties in the adjacent layers of COF (-182.0 kcal mol-1). Notably, due to the well-defined nanopores and structural organization, a constructed full cell, displays a discharge capacity as high as 276 mA h g-1\ at a current rate of 125 mA g-1.

}, doi = {10.1039/C9SC03052B}, author = {Mohammed, Abdul Khayum and Ghosh, Meena and Vijayakumar, Vidyanand and Halder, Arjun and Nurhuda, Maryam and Kumar, Sushil and Addicoat, Matthew and Kurungot, Sreekumar and Banerjee, Rahul} } @article {46865, title = {1,6-Conjugate addition initiated formal [4+2] annulation of p-quinone methides with sulfonyl allenols: a unique access to spiro[5.5]undeca-1,4-dien-3-one scaffolds}, journal = {Chemical Communications}, volume = {56}, year = {2020}, month = {MAY }, pages = {5022-5025}, type = {Article}, abstract = {

An expedient one-pot synthesis of carbocyclic spiro[5.5]undeca-1,4-dien-3-ones via 1,6-conjugate addition initiated formal [4+2] annulation sequences by employing p-quinone methides and sulfonyl allenols is presented. Furthermore, this synthetic protocol tolerates a wide variety of p-quinone methides and sulfonyl allenols and affords the corresponding structurally unique spiro[5.5]undeca-1,4-dien-3-ones in good yield under mild reaction conditions.

}, issn = {1359-7345}, doi = {10.1039/d0cc01005g}, author = {Ghotekar, Ganesh S. and Shirsath, Sachin R. and Shaikh, Aslam C. and Muthukrishnan, M.} } @article {46764, title = {3D printing of semicrystalline polypropylene: towards eliminating warpage of printed objects}, journal = {Bulletin of Materials Science}, volume = {43}, year = {2020}, month = {JUL}, pages = {171}, type = {Article}, abstract = {

Fused filament fabrication (FFF) is an extrusion-based 3D printing technique for thermoplastic polymers. In this technique, molten polymer is extruded through a print nozzle and is laid down layer by layer to build up the printed object. Currently, FFF is used primarily to print amorphous or low-crystallinity polymers, such as acrylonitrile butadiene styrene copolymer (ABS) or polylactic acid (PLA). Printing of semicrystalline polymers, such as polyethylene or polypropylene remains particularly challenging. During FFF of semicrystalline polymers, large thermomechanical stresses are generated when the polymer solidifies on cooling. These stresses result in warpage of the printed part. Here, we analyse the factors that influence stresses generated during FFF 3D printing of a commercial semicrystalline polymer, isotactic polypropylene. We investigate the effect of height of the printed object on part warpage, as well the effect of infilling during printing. We demonstrate that the stresses generated during FFF can be substantially decreased by incorporation of a {\textquoteleft}brim{\textquoteright}, viz. a thin layer at the base of the printed object, and by adhering the brim to the print substrate using common polyvinyl acetate-based glue. We systematically investigate the effect of the brim size on the warpage of the printed object. We support our experimental findings with finite element method (FEM) simulations that explain the mechanism of stress buildup during printing. The trend in stresses calculated in the FEM simulations parallel the warpage measured in the experiments. Thus, this work represents an important methodological advance towards warpage-free FFF printing of semicrystalline polymers.

}, keywords = {3D printing, polypropylene printing, warpage}, issn = {0250-4707}, doi = {10.1007/s12034-020-02097-4}, author = {Bachhar, Nirmalya and Gudadhe, Aniket and Kumar, Anil and Andrade, Prem and Kumaraswamy, Guruswamy} } @article {46680, title = {Access to diverse germylenes and a six-membered dialane with a flexible beta-diketiminate}, journal = {Chemical Communications}, volume = {56}, year = {2020}, month = {OCT}, pages = {11871-11874}, type = {Article}, abstract = {

A nacnac-based tridentate ligand containing a picolyl group (L) was employed to isolate chlorogermylene (1). The reaction of1with another equivalent of GeCl2 center dot dioxane surprisingly gave pyridylpyrrolide-based chlorogermylene (2)viaC-N bond cleavage and C-C coupling, while with AlCl3, it afforded a transmetalated product,4. The reaction of L with AlH3 center dot NMe2Et led to an unusual cyclohexane type six-membered dialane heterocycle (5).

}, issn = {1359-7345}, doi = {10.1039/d0cc05202g}, author = {Pahar, Sanjukta and Swamy, V. S. V. S. N. and Das, Tamal and Gonnade, Rajesh G. and Vanka, Kumar and Sen, Sakya S.} } @article {47142, title = {Adsorption of heavy metal on active carbon derived from coconut leaves agro-waste}, journal = {Chemistry \& Chemical Technology}, volume = {14}, year = {2020}, month = {JAN}, pages = {553-562}, type = {Article}, abstract = {

In this paper activated carbon is prepared from coconut leaves by chemical activation during slow pyrolysis at 673 K in an inert atmosphere. Activated carbon is prepared in the stiochiometric ratio of 1:1 (CL1), 2:1 (CL2) and 3:1 (CL3). Optimized 3:1 ratio is preferable for further study. BET surface area of CL3 activated carbon was found 1060.57 m2/g. It is greater than those of CL1 and CL2. The batch sorption study experiments were conducted with respect to solute concentration of 2.5{\textendash}122.8 mg/l and solution temperature of 313{\textendash}343 K. The Langmuir, Freundlich and Temkin isotherm studies were conducted. The experimental data fitted very well for the pseudo-first order and pseudo-second-order. The results have established good potentiality for the CL3 activated carbon to be used as a sorbent for the removal of lead from wastewater.

}, doi = {10.23939/chcht14.04.553}, author = {Jadhav, Abhijit and Mohanraj, Govindaraj and Mayadevi, Suseeladevi and Gokarn, Ashok} } @article {46629, title = {Amphiphilic mannose-6-phosphate glycopolypeptide-based bioactive and responsive self-assembled nanostructures for controlled and targeted lysosomal cargo delivery}, journal = {Biomaterials Science}, volume = {8}, year = {2020}, month = {NOV }, pages = {6322-6336}, type = {Article}, abstract = {

Receptors of carbohydrate mannose-6-phosphate (M6P) are overexpressed in specific cancer cells (such as breast cancer) and are also involved in the trafficking of mannose-6-phosphate labeled proteins exclusively onto lysosomes via cell surface M6P receptor (CI-MPR) mediated endocytosis. Herein, for the first time, mannose-6-phosphate glycopolypeptide ((M6P)GP)-based bioactive and stimuli-responsive nanocarriers are reported. They are selectively taken up via receptor-mediated endocytosis, and trafficked to lysosomes where they are subsequently degraded by pH or enzymes, leading to the release of the cargo inside the lysosomes. Two different amphiphilic M6P block copolymers (M6P)GP(15)-(PPO44)-P-A and (M6P)GP(15)-(PCL25)(2) were synthesized by click reaction of the alkyne end-functionalized (M6P)GP(15) with pH-responsive biocompatible azide end-functionalized acetal PPO and azide end-functionalized branched PCL, respectively. In water, the amphiphilic M6P-glycopolypeptide block copolymers self-assembled into micellar nanostructures, as was evidenced by DLS, TEM, AFM, and fluorescence spectroscopy techniques. These micellar systems were competent to encapsulate the hydrophobic dye rhodamine-B-octadecyl ester, which was used as the model drug. They were stable at physiological pH but were found to disassemble at acidic pH (for (M6P)GP(15)-(PPO44)-P-A) or in the presence of esterase (for (M6P)GP(15)-(PCL25)(2)). These (M6P)GP based micellar nanoparticles can selectively target lysosomes in cancerous cells such as MCF-7 and MDA-MB-231. Finally, we demonstrate the clathrin-mediated endocytic pathway of the native FL-(M6P)GP polymer and RBOE loaded (M6P)GP micellar-nanocarriers, and selective trafficking of MCF-7 and MDA-MB-231 breast cancer cell lysosomes, demonstrating their potential applicability toward receptor-mediated lysosomal cargo delivery.

}, issn = {2047-4830}, doi = {10.1039/d0bm01469a}, author = {Mondal, Basudeb and Pandey, Bhawana and Parekh, Nimisha and Panda, Sidharth and Dutta, Tahiti and Padhy, Abinash and Sen Gupta, Sayam} } @article {46717, title = {Analysis and artificial neural network prediction of melting properties and ideal mole fraction solubility of cocrystals}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {SEP }, pages = {5745-5759}, type = {Article}, abstract = {

Different artificial neural network (ANN) models have been developed and examined for prediction of cocrystal properties based on pure component physical properties only. From the molecular weight, melting temperature, melting enthalpy, and melting entropy of the pure compounds, the corresponding melting properties of the cocrystals and the cocrystal ideal solubility have been successfully predicted. Notably, no information whatsoever about the cocrystals is needed, besides the identification of the two compounds from which the cocrystal is formed. In total, 30 cocrystal systems of 8 different model components, namely, theophylline, piracetam, gabapentin-lactam, tegafur, nicotinamide, salicylic acid, syringic acid, and 4,4{\textquoteright}-bipyridine, with distinct coformers have been chosen as the model systems for the construction of ANN models. In all the cases, 70\% of the data points have been used to train the model, and the rest were used to test the capability of the model (as a validation set) as selected through a random selection process. The training process was stopped with overall r(2) values above 0.986. In particular, the models capture how the coformer structure influences the targeted physical properties of cocrystals.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.0c00182}, author = {Gamidi, Rama Krishna and Rasmuson, Ake C.} } @article {46796, title = {Anthrone-spirolactam and quinoline hybrid based sensor for selective fluorescent detection of Fe(3+)ions}, volume = {34}, year = {2020}, month = {OCT}, pages = {e5867}, type = {Article}, abstract = {

The synthesis of a novel, and highly selective Fe(3+)ion sensor based on anthrone-spirolactam and its quinoline hybrid ligand is reported. The designed ligand displayed selective detection of Fe(3+)ions with enhanced fluorescence emission. The complexation of Fe(3+)ion led to a red shift of 32 nm from 420 nm to 452 nm, and a several fold increase in intensity with fluorescent green emission. The complexation (detection) of Fe(3+)ions with ligand resulted in chelation enhanced fluorescence and intramolecular charge transfer through the inhibition of C=N isomerization. This hybrid sensor shows high sensitivity and selectivity, spontaneous response, and works on a wide pH range a minimum detection limit of 6.83 x 10(-8)M. Importantly, the sensor works through the fluorescence turn-on mechanism that overcomes the paramagnetic effect of Fe(3+)ions. The binding mechanism between the ligand and the Fe(3+)ions was established from the Job{\textquoteright}s plot method, optical studies, Fourier transfor infrared spectroscopy, NMR titration, fluorescence life-time studies, and density functional theory optimization. The sensor displayed excellent results in the quantification of Fe(3+)ions from real water samples. Furthermore, due to its biocompatibility nature, fluorescent spotting of Fe(3+)ions in live cells revealed its bioimaging applications.

}, keywords = {anthrone-spirolactam-quinoline, Cell imaging, fluorescence, intramolecular charge transfer, iron}, issn = {0268-2605}, doi = {10.1002/aoc.5867, Early Access Date = JUL 2020}, author = {Darole, Ratanamala S. and Christopher Leslee, Denzil Britto and Mukherjee, Anagh and Gonnade, Rajesh G. and Karuppannan, Sekar and Senthilkumar, Beeran} } @article {46752, title = {Antibacterial properties of glycosylated surfaces: variation of the glucosidal moiety and fatty acid conformation of grafted microbial glycolipids}, journal = {Molecular Systems Design \& Engineering}, volume = {5}, year = {2020}, month = {AUG}, pages = {1307-1316}, type = {Article}, abstract = {

Glycosylated surfaces can display antimicrobial properties. It has been shown that sophorolipids can be used to develop biocidal coatings against Gram-positive and Gram-negative bacteria, but with a limited efficiency so far. Therefore, it appears necessary to further investigate the surface antibacterial activity of a broader set of structurally related glycolipids. The present work explores the influence of the glucosidic moiety (gluco-, sophoro-, cellobio-) and the fatty acid backbone (saturated,cisortransmonounsaturated). We show that the fatty acid backbone plays an important role:cisderivative of sophorolipids (SL) grafted onto model gold surfaces has better biocidal properties than saturated (SL0) andtransmonounsaturated (SLt) molecules, which appear to be inefficient. The number of glucose units is also a key factor: a one-third decrease in antibacterial activity is observed when having one glucose unit (GL) compared to two (SL). Sugar acetylation (SLa) does not seem to have an impact on the biocidal properties of surfaces. These results are not limited to sophorolipids, with cellobioselipids (CL) leading to similar antibacterial observations.

}, issn = {2058-9689}, doi = {10.1039/d0me00059k}, author = {Valotteau, Claire and Roelants, Sophie L. K. V. and Dhasaiyan, Prabhu and Zibek, Susanne and Guenther, Michael and Soetaert, Wim and Everaert, Bernd and Pradier, Claire-Marie and Babonneau, Florence and Baccile, Niki and Humblot, Vincent} } @article {47015, title = {Anticancer activity of lectins from bauhinia purpurea and wisteria floribunda on breast cancer MCF-7 cell lines}, journal = {Protein and Peptide Letters}, volume = {27}, year = {2020}, month = {JAN}, pages = {870-877}, type = {Article}, abstract = {

Background: Individual and collaborative efforts are being made worldwide in search of effective chemical or natural drugs with less severe side-effects for treatment of cancer. Due to the specificity and selectivity properties of lectins for saccharides, several plant lectins are known to induce cytotoxicity into tumor cells. Objective: To study the antiproliferative activity of two N-acetyl galactosamine specific plant lectins from seeds of Bauhinia purpurea and Wisteria floribunda against MCF-7 Breast cancer cell lines. Methods: MTT, lactate dehydrogenase (LDH) leakage, reactive oxygen species (ROS), and caspase-3 assays and flow cytometry for cell cycle analysis were performed. Results: The agglutinins BPL and WFL; 446 mu gml(-1) (2.2 mu M) and 329 mu gml(-1) (2.8 mu M), respectively caused remarkable concentration-dependent antiproliferative effect on MCF-7. The effect was seen to be a consequence of binding of the lectin to the cell surface and triggering S and G2 phase arrest. Apoptosis induced was found to be associated with LDH leakage, cell cycle arrest and ROS generation. The apoptotic signal was observed to be amplified by activation of caspase-3 resulting in cell death. Conclusion: The study provides a base for detailed investigation and further use of lectins in cancer studies.

}, keywords = {anti-cancer, antiproliferative, Apoptosis, caspase-3, cell cycle arrest, Lectins, MCF-7, reactive oxygen species}, issn = {0929-8665}, doi = {10.2174/0929866527666200408143614}, author = {Agrawal, Sanskruthi B. and Gupta, Neha and Bhagyawant, Sameer S. and Gaikwad, Sushama M.} } @article {47014, title = {Antidiabetic activity of dihydropyrimidine scaffolds and structural insight by single crystal x-ray studies}, journal = {Medicinal Chemistry}, volume = {16}, year = {2020}, month = {JAN}, pages = {996-1003}, type = {Article}, abstract = {

Background: This research project is designed to identify the anti-diabetic effects of the newly synthesized compounds to conclude the perspective of consuming one or more of these new synthetic compounds for diabetes management. Introduction: A series of dihydropyrimidine (DHPM) derivative bearing electron releasing and electron-withdrawing substituent{\textquoteright}s on phenyl ring (a-j) were synthesized and screened for antihyperglycemic(anti-diabetic) activity on streptozotocin (STZ) induced diabetic rat model. The newly synthesized compounds were characterized by using FT-IR, melting point, H-1 and C-13 NMR analysis. The crystal structure and supramolecular features were analyzed through single-crystal X-ray study. Anti-diabetic activity testing of newly prepared DHPM scaffolds was mainly based on their relative substituent on the phenyl ring along with urea and thiourea. Among the synthesized DHPM scaffold, the test compound c having chlorine group on phenyl ring at the ortho position to the hydropyrimidine ring with urea and methyl acetoacetate derivative shows moderate lowering of glucose level. However, the title compounds methyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimi dine-5-carboxylate(g) and ethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydroprimidine- 5-carboxylate(h) having methoxy and ethoxy substituents on phenyl ring show significant hypoglycemic activity compared to the remaining compounds from the Scheme 1. Methods: The experimental rat models for the study were divided into 13 groups (n = 10); group 1 animals were treated with 0.5\% CMC (0.5mL) (vehicle); group 2 were considered the streptozotocin (STZ)/nicotinamide diabetic control group (DC) and untreated, group 3 diabetic animals were administered with gliclazide 50 mg/kg and act as a reference drug group. The remaining groups of the diabetic animals were administered with the newly synthesized dihydropyrimidine compounds in a single dose of 50 mg/kg orally using the oral gavage, daily for 7 days continuously. The blood glucose level was measured before and 72 hrs after nicotinamide-STZ injection, for confirmation of hyperglycemia and type 2 diabetes development. Results: Blood glucose levels were significantly (p\<0.05) reduced after treatment with these derivatives. The mean percentage reduction for gliclazide was 50\%, while that of synthesized compounds were approximately 36\%. Conclusion: Our result suggests that the synthesized new DEEM derivative containing alkoxy group on the phenyl ring shows a significant lowering of glucose level compared to other derivatives.

}, keywords = {anti-Diabetic, blood glucose levels, dihydropyrimidine, hypoglycemic activity, Streptozotocin, type 2 diabetes mellitus}, issn = {1573-4064}, doi = {10.2174/1573406416666191227123048}, author = {Bairagi, Keshab M. and Younis, Nancy S. and Emeka, Promise M. and Sangtani, Ekta and Gonnade, Rajesh G. and Venugopala, Katharigatta N. and Alwassil, I. Osama and Khalil, Hany E. and Nayak, Susanta K.} } @article {46902, title = {Antimicrobial profiling of coral reef and sponge associated bacteria from southeast coast of India}, volume = {141}, year = {2020}, month = {APR}, pages = {103972}, type = {Article}, abstract = {

Culturable bacteria associated with marine sponges and coral mucus (collected from Gulf of Mannar and Palk Bay) were screened for their prospective antimicrobial compounds against 9 bacterial pathogens (Bacillus megaterium, B. cereus, Salmonella typhimurium, Staphylococcus aureus, Proteus vulgaris, Klebsillla pneumoniae, Escherichia coli, Pseudomonas aeruginosa and Acinetobacter baumannii) and a fungal pathogen (Candida albicans). Of the 263 bacterial isolates obtained during this study, 52 isolates displayed antimicrobial activity against one or more pathogens. 16S rRNA gene sequencing revealed that these 52 strains affiliated to 14 genera from three phyla Proteobacteria, Firmicutes and Actinobacteria. Sponge associated bacterial strains F-04, 1-23, 1-33 and G-03 inhibited the growth of all the bacterial pathogens tested in this study and significantly the former 2 strains inhibited the growth of fungal pathogen also. Majority of the potential strains (88.4\% out of 52 strains) inhibited the growth of Bacillus cereus. Interestingly, an actinomycete strain F-04 (isolated from sponge Orina sagittaria) inhibited the growth of methicillin resistant Staphylococcus aureus. In total, 10 volatile organic compounds were determined from the ethyl acetate and hexane extract of the strain F-04 using GC-MS. Overall, marine bacteria isolated during this study demonstrate the potential for the development of broad spectrum antibiotics.

}, keywords = {Anti-MRSA, Antimicrobial activity, Bacterial diversity, Coral reef, Sponge}, issn = {0882-4010}, doi = {10.1016/j.micpath.2020.103972}, author = {Rajasabapathy, Raju and Ghadi, Sanjeev C. and Manikandan, Balakrishnan and Mohandass, Chellandi and Surendran, Akhila and Dastager, Syed G. and Meena, Ram M. and James, Rathinam Arthur} } @article {46625, title = {Approach to nigericin derivatives and their therapeutic potential}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {NOV }, pages = {43085-43091}, type = {Article}, abstract = {

A new nigericin analogue that has been chemically modified was synthesized through a fluorination process from the parent nigericin, produced from a novel Streptomyces strain DASNCL-29. Fermentation strategies were designed for the optimised production of nigericin molecule and subjected for purification and structural analysis. The fermentation process resulted in the highest yield of nigericin (33\% (w/w)). Initially, nigericin produced from the strain DASNCL-29 demonstrated polymorphism in its crystal structure, i.e., monoclinic and orthorhombic crystal lattices when crystallised with methanol and hexane, respectively. Furthermore, nigericin produced has been subjected to chemical modification by fluorination to enhance its efficacy. Two fluorinated analogues revealed that they possess a very potent antibacterial activity against Gram positive and Gram negative bacteria. To date, the nigericin molecule has not been reported for any reaction against Gram-negative bacteria, which are increasingly becoming resistant to antibiotics. For the first time, fluorinated analogues of nigericin have shown promising activity. In vitro cytotoxicity analysis of fluorinated analogues demonstrated tenfold lesser toxicity than the parent nigericin. This is the first type of study where the fluorinated analogues of nigericin showed very encouraging activity against Gram-negative organisms; moreover, they can be used as a candidate for treating many serious infections.

}, doi = {10.1039/d0ra05137c}, author = {Sahu, Amit Kumar and Said, Madhukar S. and Hingamire, Tejashri and Gaur, Megha and Khan, Abujunaid and Shanmugam, Dhanasekaran and Barvkar, Vitthal T. and Dharne, Mahesh S. and Bharde, Atul A. and Dastager, Syed G.} } @article {46829, title = {Autophagic pathways to clear the tau aggregates in alzheimer{\textquoteright}s disease}, journal = {Cellular and Molecular Neurobiology}, year = {2020}, month = {JUN}, type = {Review; Early Access 2020}, abstract = {

Tau is a microtubule-associated protein with an intrinsically unstructured conformation. Tau is subjected to several pathological post-translational modifications (PTMs), leading to its loss of interaction with microtubules and accumulation as neurofibrillary tangles (NFTs) in neurons. Tau aggregates impede functions of endoplasmic reticulum and mitochondria leading to the generation of oxidative stress and in turn amplifying the Tau aggregation. Tau is channelled to chaperones for folding into their native form, which otherwise causes its degradation and clearance. Cellular response triggers the activation of ubiquitin-proteasome system or autophagy to facilitate Tau degradation, based on the PTMs or mutations associated with Tau. Further, autophagy can be selective where Hsc70 interacts with Tau in monomeric, oligomeric and aggregated form and drives its clearance by chaperone-mediated autophagy pathway (CMA). Lysosome-associated membrane proteins-2A (LAMP-2A) is the key player of CMA that recognises Hsc70-Tau complex and triggers the downstream cascade. Thus, it becomes challenging for mutant Tau to be cleared by CMA as it loses its affinity for Hsc70 and LAMP-2A. In such a scenario, Tau might be degraded by macroautophagy otherwise sequestered by aggresomes. Henceforth, the degradation of Tau and its blockage that is associated with various PTMs of Tau would explain the dynamics of Tau degradation or accumulation in AD. Further, unveiling the role of accessory proteins involved in these degradation pathways would help in understanding their loss of function and preventing Tau clearance.

}, keywords = {Alzheimer{\textquoteright}s disease, Chaperone-mediated autophagy, Lysosome-associated membrane proteins-2A, Macroautophagy, Neurofibrillary tangles, Tau, Tau degradation, Ubiquitin-proteasome system}, issn = {0272-4340}, doi = {10.1007/s10571-020-00897-0, Early Access Date = JUN 2020}, author = {Gorantla, Nalini Vijay and Chinnathambi, Subashchandrabose} } @article {46933, title = {Basic limonoid modulates chaperone-mediated proteostasis and dissolve Tau fibrils}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {MAR}, pages = {4023}, type = {Article}, abstract = {

The Alzheimer{\textquoteright}s disease pathology is associated with accumulation of intracellular neurofibrillary tangles and extracellular senile plaques. The formation of initial nucleus triggers conformational changes in Tau and leads to its deposition. Hence, there is a need to eliminate these toxic proteins for proper functioning of neuronal cells. In this aspect, we screened the effect of basic limonoids such as gedunin, epoxyazadiradione, azadirone and azadiradione on inhibiting Tau aggregation as well as disintegration of induced Tau aggregates. It was observed that these basic limonoids effectively prevented aggregates formation by Tau and also exhibited the property of destabilizing matured Tau aggregates. The molecular docking analysis suggests that the basic limonoids interact with hexapeptide regions of aggregated Tau. Although these limonoids caused the conformational changes in Tau to beta-sheet structure, the cytological studies indicate that basic limonoids rescued cell death. The dual role of limonoids in Tau aggregation inhibition and disintegration of matured aggregates suggests them to be potent molecules in overcoming Tau pathology. Further, their origin from a medicinally important plant neem, which known to possess remarkable biological activities was also found to play protective role in HEK293T cells. Basic limonoids were non-toxic to HEK293T cells and also aided in activation of HSF1 by inducing its accumulation in nucleus. Western blotting and immunofluorescence studies showed that HSF1 in downstream increased the transcription of Hsp70 thus, aggravating cytosolic Hsp70 levels that can channel clearance of aberrant Tau. All these results mark basic limonoids as potential therapeutic natural products.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-60773-1}, author = {Gorantla, Nalini Vijay and Das, Rashmi and Chidambaram, Hariharakrishnan and Dubey, Tushar and Mulani, Fayaj A. and Thulasiram, V. Hirekodathakallu and Chinnathambi, Subashchandrabose} } @article {46704, title = {Bimetallic palladium nickel nanoparticles anchored on carbon as high-performance electrocatalysts for oxygen reduction and formic acid oxidation reactions}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {SEP }, pages = {9285-9295}, type = {Article}, abstract = {

{Herein, we report the synthesis of carbon-supported palladium-nickel electrocatalysts (ECs) (Pd4-xNix/C ECs

}, keywords = {electrocatalysts, Formic Acid Oxidation, fuel cells, oxygen reduction reaction, palladium-nickel alloy}, issn = {2574-0962}, doi = {10.1021/acsaem.0c01622}, author = {Goswami, Chiranjita and Saikia, Himadri and Tada, Kohei and Tanaka, Shingo and Sudarsanam, Putla and Bhargava, Suresh K. and Bharali, Pankaj} } @article {46983, title = {Biomass ashes as potent adsorbent for pesticide: prediction of adsorption capacity by artificial neural network}, journal = {International Journal of Environmental Science and Technology}, volume = {17}, year = {2020}, month = {JUN}, pages = {3209-3216}, type = {Article}, abstract = {

Biomass ashes are used for adsorption of herbicides from aqueous solution. A relationship between physicochemical properties of biomass ashes such as carbon-hydrogen-nitrogen content (CHN analysis), silica content and BET surface area with their adsorption capacity was established and modeled using artificial neural network. 2,4-Dichlorophenoxyacetic acid (2,4-D) a commonly used herbicide is chosen a representative for this study. The artificial neural network model was trained, validated and tested using 35 data sets and was equipped with nine neuron hidden layers having tansig (tangent sigmoid) transfer function and an output layer with purelin (purely linear) transfer function. This model can be used to predict 2,4-D removal efficacy of any biomass ash by knowing its physicochemical properties like C, H, N, Si and BET surface area.

}, keywords = {2, 4-D, Adsorption capacity, Artificial neural network, Biochar, biomass ash}, issn = {1735-1472}, doi = {10.1007/s13762-020-02645-9, Early Access Date = FEB 2020}, author = {Gokhale, N. A. and Trivedi, N. S. and Mandavgane, S. A. and Kulkarni, B. D.} } @article {46724, title = {Biosynthesis and tissue-specific partitioning of camphor and eugenol in Ocimum kilimandscharicum}, journal = {Phytochemistry}, volume = {177}, year = {2020}, month = {SEP}, pages = {112451}, type = {Article}, abstract = {

In Ocimum kilimandscharicum, the relative volatile composition of camphor in leaves was as high as 55\%, while that of eugenol in roots was 57\%. These metabolites were differentially partitioned between the aerial and root tissues. Global metabolomics revealed tissue-specific biochemical specialization, evident by the differential distribution of 2588 putative metabolites across nine tissues. Next-generation sequencing analysis indicated differential expression of 51 phenylpropanoid and 55 terpenoid pathway genes in aerial and root tissues. By integrating metabolomics with transcriptomics, the camphor biosynthesis pathway in O. kilimandscharicum was elucidated. In planta bioassays revealed the role of geranyl diphosphate synthase (gpps) and borneol dehydrogenase (bdh) in camphor biosynthesis. Further, the partitioning of camphor was attributed to tissue-specific gene expression of both the pathway entry point (gpps) and terminal (bdh) enzyme. Unlike camphor, eugenol accumulated more in roots; however, absence of the eugenol synthase gene in roots indicated long distance transport from aerial tissues. In silico co-expression analysis indicated the potential involvement of ATP-binding cassette, multidrug and toxic compound extrusion, and sugar transporters in eugenol transport. Similar partitioning was evident across five other Ocimum species. Overall, our work indicates that metabolite partitioning maybe a finely regulated process, which may have implications on plant growth, development, and defense.

}, keywords = {Borneol dehydrogenase, Camphor, Eugenol, Geranyl diphosphate synthase, Lamiaceae, Metabolite partitioning, Metabolomics, Ocimum kilimandscharicum, Transcriptomics}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2020.112451}, author = {Singh, Priyanka and Kalunke, Raviraj M. and Shukla, Anurag and Tzfadia, Oren and Thulasiram, V. Hirekodathakallu and Giri, Ashok P.} } @article {46606, title = {Bis(silanetellurone) with C-H center dot center dot center dot Te Interaction}, journal = {Inorganic Chemistry}, volume = {59}, year = {2020}, month = {DEC }, pages = {17811-17821}, type = {Article}, abstract = {

Herein, we report the synthesis of a series of bis(silanechalcogenones) [Ch = Te (2), S (3), or Se (4)] using an N-heterocyclic silylene-based SiCSi pincer ligand (1). 2 is the first example of a bis(silanetellurone) derivative. The bonding patterns of 2-4 were extensively studied by natural bond orbital, quantum theory of atoms in molecules, and noncovalent interaction index analyses, and these exhibit weak C-H center dot center dot center dot Ch interaction. The analogous reaction of 1 with trimethyl N-oxide produced a novel bis(cyclosiloxane) derivative (5). All of the complexes are duly characterized by single-crystal X-ray diffraction studies, multinuclear nuclear magnetic resonance (H-1, C-13, and Si-29) spectroscopy, and high-resolution mass spectrometry.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.0c03098}, author = {Ghosh, Moushakhi and Panwaria, Prakash and Tothadi, Srinu and Das, Aloke and Khan, Shabana} } @article {46624, title = {Blends of neem oil based polyesteramide as nanofiber mats to control Culicidae}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {NOV }, pages = {42827-42837}, type = {Article}, abstract = {

Mosquitoes act as vectors for several disease-causing microorganisms and pose a threat to mankind by transmitting various diseases. There are different conventional methods to repel or kill these mosquitoes for avoiding susceptibility against infections. However, to overcome the difficulties with conventional methods, new advanced materials are being studied. For the first time, we report developing a nanofiber mat with a controlled release of insecticide to repel or detain the mosquitoes. Briefly, various blend compositions were prepared by manipulating the ratio of neem oil-based polyesteramide (PEA) and polycaprolactone (PCL) immobilized with insecticide, transfluthrin (Tf). The blend solutions were electrospun to get non-woven nanofiber mats, and these nanomaterials were characterized by various spectroscopic techniques to understand their physicochemical properties. The surface morphology was analyzed using environmental scanning electron microscopy (E-SEM), and the diameter of the nanofibers was in the range of 200 to 450 nm. Further, thermal and mechanical properties were evaluated to understand the stability of nanofiber mats. In vitro drug release studies of nanofiber mat PPT-1335 showed controlled and sustained release of Tf, with similar to 35\% of Tf released in 24 h. However, a film of the same composition (PPT-1335) showed similar to 5\% of Tf release within 24 h. Moreover, in vivo bio-efficacy studies suggested the mortality of mosquitoes was about 50\% with PP-133, which was further increased to 100\% within 12 h in the presence of Tf (PPT-1335). However, 60\% mortality of mosquitoes was observed with the film of PPT-1335. Hence, the nanofiber mat showed better efficacy against mosquitoes as compared to the film of the same composition. The degradation studies under various conditions revealed biocompatibility of the developed nanofiber mats with the ecosystem.

}, doi = {10.1039/d0ra08297j}, author = {Konchada, Sravanya and Killi, Naresh and Sayyad, Shahebaz and Gathalkar, Ganesh B. and Gundloori, Rathna V. N.} } @article {47319, title = {Boron nitride and oxide supported on dendritic fibrous nanosilica for catalytic oxidative dehydrogenation of propane}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {8}, year = {2020}, month = {NOV }, pages = {16124-16135}, type = {Article}, abstract = {

In this work, we were able to significantly increase the activity of boron nitride (BN) catalysts used for the oxidative dehydrogenation (ODH) of propane by designing and synthesizing BN supported on dendritic fibrous nanosilica (DFNS). DFNS/BN showed a markedly increased catalytic efficiency, accompanied by exceptional stability and selectivity. Textural characterization, together with solid-state nuclear magnetic resonance (NMR) and X-ray photoelectron spectroscopic analyses, indicates the presence of a combination of unique fibrous morphology of DFNS and various boron sites connected to silica to be the reason for this increase in the catalytic performance. Notably, DFNS/B2O3 also showed catalytic activity, although with more moderate selectivity compared to that of DFNS/BN. Solid-state NMR spectra indicate that the higher selectivity of DFNS/BN might stem from a larger amount of hydrogen-bonded hydroxyl groups attached to B atoms. This study indicates that both boron nitride and oxide are active catalysts and by using high surface area support (DFNS), conversion from propane to propene as well as productivity of olefins was significantly increased.

}, keywords = {Electron microscopy, heterogeneous catalysis, Nanostructures, NMR spectroscopy, propane dehydrogenation, X-ray diffraction, X-ray photoelectron spectroscopy}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.0c04148}, author = {Belgamwar, Rajesh and Rankin, Andrew G. M. and Maity, Ayan and Mishra, Amit Kumar and Gomez, Jennifer S. and Trebosc, Julien and Vinod, Chathakudath P. and Lafon, Olivier and Polshettiwar, Vivek} } @article {46792, title = {Can half-a-monolayer of pt simulate activity like that of bulk pt? solar hydrogen activity demonstration with quasi-artificial leaf device}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {JUL }, pages = {30420-30430}, type = {Article}, abstract = {

Pt is the best cocatalyst for hydrogen production. It is also well-known that the surface atomic layer is critical for catalysis. To minimize the Pt content as cocatalyst, herein we report on half-a-monolayer of Pt (0.5 theta(Pt)) decorated on earth-abundant Ni-Cu cocatalyst, which is integrated with a quasiartificial leaf (QuAL) device (TiO2/ZnS/CdS) and demonstrated for efficient solar hydrogen production. For the QuAL, TiO2 is sensitized with ZnS and CdS quantum dots by the SILAR method. The 0.5 theta(Pt)-decorated Ni-Cu shows an onset potential of 0.05 V vs reversible hydrogen electrode for the hydrogen evolution reaction, which is almost similar to that of commercial Pt/C. Photoactivity of the present QuAL device with either bulk Pt or 0.5 theta(Pt)-coated Ni-Cu cocatalyst is, surprisingly, equal. Our findings underscore that a fraction of a monolayer of Pt can enhance the activity of the cocatalyst, and it is worth exploring further for the high activity associated with atomic Pt and other noble metals.

}, keywords = {artificial leaf, nickel-copper, Photocatalysis, platinum, Solar hydrogen}, issn = {1944-8244}, doi = {10.1021/acsami.0c07431}, author = {Bajpai, Himanshu and Patra, Kshirodra Kumar and Ranjan, Ravi and Nalajala, Naresh and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @article {46952, title = {Catalyst-free regioselective [3+2] cycloadditions of alpha,beta-unsaturated N-arylnitrones with alkenes to access functionalized isoxazolidines: a DFT study}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {MAR}, pages = {899-903}, type = {Article}, abstract = {

The catalyst-free regioselective [3+2]-cycloaddition of alpha,beta-unsaturated N-arylnitrones with alkenes are developed. The series of synthetically important functionalized isoxazolidines are prepared in good to excellent yields by step economic pathway under ligand and transition-metal-free conditions. The regioselective cycloaddition pathway supported by control experiment and computational study.

}, keywords = {DFT study, isoxazolidines, metal and ligand free, nitrone cycloaddition, Regioselective}, issn = {1861-4728}, doi = {10.1002/asia.201901754, Early Access Date = FEB 2020}, author = {Ghosh, Arnab and Mane, Manoj V. and Rode, Haridas B. and Patil, Siddappa A. and Sridhar, Balasubramanian and Dateer, Ramesh B.} } @article {46844, title = {Characterisation of hyper tolerant Bacillus firmus L-148 for arsenic oxidation}, journal = {Environmental Pollution}, volume = {261}, year = {2020}, month = {JUN}, pages = {114124}, type = {Article}, abstract = {

Groundwater arsenic pollution causes millions of deaths worldwide. Long term natural and anthropogenic activities have increased arsenic levels in groundwater causing higher threats of arsenic exposure. Arsenic hyper-tolerant Firmicute Bacillus firmus L-148 was isolated from arsenic limiting Lonar lake soil, which tolerated more than 3 M arsenic and could oxidize 75 mM arsenite [As(III)] in 14 days. It oxidized As(III) in presence of heavy metals and had unusual pH optima at 9.2. B. firmus L-148 was studied at the biochemical, protein, genomic and transcript level for understanding its arsenic oxidizing machinery. The proteomic and transcript analysis exhibited the presence of ars and aio operon and supported the inducible nature of ars operon. Robust, hyper-tolerant, fast As(III) oxidizing, least nutrient requiring and multi-metal resistance qualities of the strain were used in microcosm studies for bioremediation. Artificial groundwater mimicking microcosm with 75 mM As(III) was developed. Modulation of carbon source, iron and multi metals affected growth and As(III) oxidation rate. The As(III) oxidation was recorded to be 77\% in 15 days in presence of sodium acetate and Fe ions. This microcosm study can be explored for bioremediation of arsenic contaminated water and followed by precipitation using other methods. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {Arsenic hyper-tolerance, Lonar lake, Microcosm studies, Multi-metal resistance, Next generation sequencing}, issn = {0269-7491}, doi = {10.1016/j.envpol.2020.114124}, author = {Bagade, Aditi and Nandre, Vinod and Paul, Dhiraj and Patil, Yugendra and Sharma, Nisha and Giri, Ashok and Kodam, Kisan} } @article {46597, title = {Chiron approach to formal synthesis of both antipodes of cis 3-hydroxypipecolic acid (vol 55, pg 6423, 2014)}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {DEC }, pages = {152644}, type = {Correction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.152644}, author = {Chavan, Subhash P. and Khairnar, Lalit B. and Chavan, Prakash N. and Dumare, Nilesh B. and Kalbhor, Dinesh B. and Gonnade, Rajesh G.} } @article {46843, title = {Cobalt-based metal complexes prevent repeat tau aggregation and nontoxic to neuronal cells}, journal = {International Journal of Biological Macromolecules}, volume = {152}, year = {2020}, month = {JUN }, pages = {171-179}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is a fatal neurodegenerative disorder with an alarming increase in the death rate every year. AD is characterised by an aberrant accumulation of proteins in the form of aggregates. The axonal microtubule-associated protein Tau and arnyloid-beta undergo structural transition to beta-sheet rich structure and form aggregates in neuronal soma as well as in the extracellular region. The loss of Tau from microtubules leads to the disintegration of axon and causing neuronal degeneration. This led to the development of effective drugs against AD, to prevent Tau aggregation. Here, we synthesized and screen metal-based complexes to prevent Tau protein aggregation. ThS fluorescence and TEM suggested the role of synthetic cobalt complexes in inhibiting Tau aggregation. CD spectroscopy showed that these complexes prevented conformational changes in Tau to beta-sheet. CBMCs were not toxic at lower concentrations and formed non-toxic Tau species. L1 and L2 prevented membrane leakage: whereas, higher concentrations of L3 caused membrane leakage as observed by LDH release assay. The overall results indicate the synthetic cobalt complexes to be a promising molecule against AD. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Alzheimer{\textquoteright}s disease, Cobalt-based metals, Tau Aggregation, Tau inhibition, Tau toxicity}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.02.278}, author = {Gorantla, V. Nalini and Balaraman, Ekambaram and Chinnathambi, Subashchandrabose} } @article {47151, title = {Co-gasification of high ash coal{\textendash}biomass blends in a fluidized bed gasifier: }, journal = {Waste and Biomass Valorization }, volume = {11}, year = {2020}, month = {JAN}, pages = {323{\textendash}341}, type = {Article}, abstract = {

Co-gasification (COG) is a clean-coal technology that uses a binary blend of coal and biomass for generating the\ product gas; it is environment-friendly since it emits lesser quantities of pollutants compared to the coal gasification process. Although coals found in many countries contain high percentages of ash, co-gasification studies involving such coals, and the process modeling thereof, are rare. Accordingly, this study presents results of the co-gasification experiments conducted in a fluidized-bed gasifier (FBG) pilot plant using as a feed the blends of high ash Indian coals with three biomasses, namely, rice husk, press mud, and sawdust. Since the underlying physicochemical phenomena are complex and nonlinear, modeling of the COG process has been performed using three\ computational intelligence (CI)-based methods namely, genetic programming, artificial neural networks, and support vector regression. Each of these formalisms was employed separately to develop models predicting four COG performance variables, namely, total gas yield, carbon conversion efficiency, heating value of product gas, and cold gas efficiency. All the CI-based models exhibit an excellent prediction accuracy and generalization performance. The co-gasification experiments and their modeling presented here for a pilot-plant FBG can be gainfully utilized in the efficient design and operation of the corresponding commercial scale co-gasifiers utilizing high ash coals.

}, author = {Tiwary, Shishir and Ghugare, Suhas B. and Chavan, Prakash D. and Saha, Sujan and Datta, Sudipta and Sahu, Gajanan and Tambe, Sanjeev S.} } @article {46816, title = {Combinatorial approach through in vitro regeneration and phytochemical profiling of ceropegia media (huber) ans.: a potential way forward in the conservation of an endangered medicinal plant from the western ghats in India}, journal = {Journal of Plant Growth Regulation}, year = {2020}, month = {JUN }, type = {Article; Early Access 2020}, abstract = {

Ceropegia mediais an endemic and endangered plant as its propagation through seeds is unreliable due to low germination, slow growth and seedling decay under natural conditions. Also, tubers of this plant are edible serving as carbohydrate source with medicinal values leading to severe population decline in the natural habitat. To provide a sustainable solution, an efficient in vitro propagation protocol along with phytochemical profiling was developed forC. media. Callus cultures were induced from seedling and wild leaf tissues using the most effective Murashige and Skoog{\textquoteright}s (MS) medium with 2,4-dichlorophenoxyacetic acid (2,4-D; 2 mu M) and sucrose (3\%). Somatic embryos were acquired on MS medium with 1 mu M 6-Benzylaminopurine (BAP) and 1 mu M 2,4-D. Conversion into plantlets was attained only from tissue culture-derived seedling leaf (TCDSL) explant. Further, in vitro tuberization was achieved from TCDSL callus with BAP and Naphthalene acetic acid (NAA). AgNO(3)as an elicitor had a positive effect on both fresh and dry weights of callus. Successful acclimatization (58\%) was attained after two months resulting in normal phenotype in pots. Further, metabolite profiles of ten different tissues from wild and in vitro plants were compared. Total 82 compounds comprising alkaloids, fatty acids, fatty acid ester, steroids, terpenes and hydrocarbons were identified. Overall, results suggested enhanced production of selected metabolites with in vitro propagation and AgNO3, alleviating the problem of unavailability of planting materials. Thus, the current study might offer potential ways for the conservation of such RED enlisted species asC. media. [GRAHICS]

}, keywords = {Ceropegia media, GC-MS, Microtuberization, Secondary metabolites, Silver nitrate, somatic embryogenesis}, issn = {0721-7595}, doi = {10.1007/s00344-020-10173-6, Early Access Date = JUN 2020}, author = {Pandey, Meena and Dholakia, Bhushan B. and Jayaramaiah, Ramesha H. and Punekar, Sachin A. and Giri, Ashok P.} } @article {46979, title = {Comparative proteomics unravels the differences in salt stress response of own-rooted and 110R-grafted thompson seedless grapevines}, journal = {Journal of Proteome Research}, volume = {19}, year = {2020}, month = {FEB}, pages = {583-599}, type = {Article}, abstract = {

Thompson Seedless, a commonly grown table grape variety, is sensitive to salinity when grown on its own roots, and therefore, it is frequently grafted onto salinity-tolerant wild grapevine rootstocks. Rising soil salinity is a growing concern in irrigated agricultural systems. The accumulation of salts near the root zone severely hampers plant growth, leading to a decrease in the productive lifespan of grapevine and causing heavy yield losses to the farmer. In the present study, we investigated the differences in response to salinity between own-rooted Thompson Seedless (TSOR) and 110R-grafted Thompson Seedless (TS110R) grapevines, wherein 110R is reported to be a salt-tolerant rootstock. The grapevines were subjected to salt stress by treating them with a 150 mM NaCl solution. The stress-induced changes in protein abundance were investigated using a label-free shotgun proteomics approach at three time points viz. 6 h, 48 h, and 7 days of salt treatment. A total of 2793 proteins were identified, of which 246 were differentially abundant at various time-points in TSOR and TS110R vines. The abundance of proteins involved in several biological processes such as photosynthesis, amino acid metabolism, translation, chlorophyll biosynthesis, and generation of precursor metabolites was significantly affected by salt stress in both the vines but at different stages of stress. The results revealed that TSOR vines responded fervently to salt stress, while TS110R vines adopted a preventive approach. The findings of this study add to the knowledge of salinity response in woody and grafted plants and hence open the scope for further studies on salt stress-specific differences induced by grafting.

}, keywords = {110R rootstock, gene ontology, grafting, label-free proteomics, salt stress, Vitis vinifera}, issn = {1535-3893}, doi = {10.1021/acs.jproteome.9b00420}, author = {Patil, Sucheta and Shinde, Manisha and Prashant, Ramya and Kadoo, Narendra and Upadhyay, Anuradha and Gupta, Vidya} } @article {46698, title = {Comprehensive metagenomic insights into a unique mass gathering and bathing event reveals transient influence on a riverine ecosystem}, journal = {Ecotoxicology and Environmental Safety}, volume = {202}, year = {2020}, month = {OCT }, pages = {110938}, type = {Article}, abstract = {

The religious mass gathering and bathing can pose a multitude of significant public health challenges and lead to severe alterations in the river microbial ecology. The Pandharpur Wari is an annual pilgrimage of Maharashtra, India, where millions of devotees carry the footprints of the saint-poets and pay their obeisance to Lord Vitthal on the 11th day of moon{\textquoteright}s waxing phase (Ashadi Ekadashi). As a part of the ritual, the engrossed devotees, walk over 250 km, take a first holy dip in a sacred river Indrayani at Alandi and secondly in Bhima River at Pandharpur. The MinION-based shotgun metagenomic approach was employed to examine the impact of spiritual mass bathing on environmental changes (concerning the river microbial community structure and functions); and public health aspects (in terms of changes in the pathogenic potential and antibiotic resistance). The analysis of bathing and post-bathing samples of both the rivers revealed alterations in the alpha and beta diversity, indicating significant spatiotemporal variations in the overall microbial structure and function. Furthermore, the analysis revealed up to 80\% of differences in the abundance of virulence genes between the bathing and post bathing samples. We observed parallel increase of priority skin and enteric pathogens (ranging from 11\% to 80\%) such as Acinetobacter baumannii, Staphylococcus aureus, Streptococcus pyogenes, Mycobacterium tuberculosis, and Pseudomonas aeruginosa during the bathing event. Moreover, we observed a significant increase in the antibiotic resistance in the bathing samples of Bhima and Indrayani rivers respectively. Altogether, this is the first comprehensive metagenomic study unravelling the influence of religious mass-bathing on the riverine ecosystem.

}, keywords = {Antibiotic resistance, Mass bathing, MinION sequencing, Priority pathogens, Virulence genes}, issn = {0147-6513}, doi = {10.1016/j.ecoenv.2020.110938}, author = {Yadav, Rakeshkumar and Rajput, Vinay and Gohil, Kushal and Khairnar, Krishna and Dharne, Mahesh} } @article {46872, title = {Controlled synthesis of two-dimensional (2-D) ultra-thin bismuth selenide (Bi2Se3) nanosheets by bottom-up solution-phase chemistry and its electrical transport properties for thermoelectric application}, journal = {FlatChem}, volume = {21}, year = {2020}, month = {MAY}, pages = {100165}, type = {Article}, abstract = {

Bismuth Selenide and associated compounds inheriting stacked layered structure represent a unique class of materials where bulks are insulating with conducting surfaces, best known as thermoelectric materials. The bottom-up solution-based approach is a convenient alternative producing ultrathin high quality two-dimensional Bi2Se3 nanosheets. The present investigation deals with glycol mediated synthesis of highly crystalline ultrathin Bi2Se3 nanosheets. The as-synthesized Bi2Se3 nanosheets exhibit a rhombohedral crystal structure with a substantial surface-to-volume ratio that can possess several potential applications. Besides, the ultrathin Bi2Se3 nanosheets produced herein, found to be n-type with robust spatial confinement of charge carriers advantageous for thermoelectric applications, delivering a high-power factor of 1.55 mu W/cmK(2) at 150 degrees C. The method demonstrates the generic feature of the solution phase technique for the synthesis of highly crystalline nanosheets allowing mass production of identical ultra-thin nanosheets that can be easily integrated into devices for several promising applications, including spintronics, energy storage, and topological quantum computation.

}, keywords = {Rhombohedral structure, Sheet-like structure, Thermoelectric nanomaterials, transmission electron microscopy, XPS Spectra}, issn = {2452-2627}, doi = {10.1016/j.flatc.2020.100165}, author = {Bin Masood, Khalid and Kumar, Pushpendra and Giri, Rajiv and Singh, Jai} } @article {46953, title = {Controlling and stabilization of Ru nanoparticles by tuning the nitrogen content of the support for enhanced H-2 production through aqueous-phase reforming of glycerol}, journal = {ACS Catalysis}, volume = {10}, year = {2020}, month = {FEB}, pages = {2489-2507}, type = {Article}, abstract = {

The stable activity of catalysts is an important issue in catalysis, particularly aqueous-phase reforming (APR) of renewable oxygenates, of biomass origin, to get H-2. Sintering of metal nanoparticles on supports affects catalyst stability. To alleviate this problem, a series of highly stable Ru-supported catalysts with controlled metal nanoparticle sizes have been prepared via the easy incipient wetness impregnation method. These catalysts were used for APR of glycerol to produce H-2. Nitrogen-doped mesoporous carbons (NMCs) were utlized as supports and found to have a strong influence on the catalytic performance of the catalysts. Incorporation of nitrogen in the carbon framework significantly enhanced the catalytic activity compared to Ru catalysts on nitrogen-free supports. Notably, the catalyst (5 wt \% Ru-NMC-3) with optimal N content (10.9 wt \%) demonstrated improved stability and H-2 selectivity, which are better than those of many state-of-the-art catalysts. Nitrogen in the carbon framework has a dual relationship with the activity of the catalyst: (i) it creates basic environment over the catalysts support and (ii) it acts as an anchoring site for metal nanoparticles. Anchoring of metal nanoparticles has helped to curb their sintering, thus leading to better stability of the catalysts under APR reaction conditions. Various characterization techniques were employed to understand the nature of active catalytic sites responsible for higher H-2 production while minimizing CO formation. In situ CO-FTIR studies showed that the higher catalytic activity of 5 wt \% Ru-NMC-3 catalyst was attributed to the enhanced WGS activity over this catalyst. Density functional theory calculations were performed to understand the stabilization of metal nanoparticles by different types of N present on the support and provide insights into the prefered sites of glycerol adsorption on the NMC support. Since S wt \% Ru-NMC-3 was the relatively best catalyst, it was selected for the preparation of bimetallic catalysts. Accordingly, addition of Pt to this system helped to increase the stability of the catalyst. This bimetallic catalyst may, therefore, find application for wide use in APR of biomass oxygenates.

}, keywords = {aqueous-phase reforming, Glycerol, H-2 production, Ru/NMC catalyst, synergistic effect}, issn = {2155-5435}, doi = {10.1021/acscatal.9b04063}, author = {Gogoi, Pranjal and Kanna, Narsimharao and Begum, Pakiza and Deka, Ramesh C. and Satyanarayana, C. V. V. and Raja, Thirumalaiswamy} } @article {47139, title = {Crystal structure of a 1:1 co-crystal of the anti-cancer drug gefitinib with azelaic acid }, journal = {Acta Crystallographica Section E: Crystallographic Communications}, volume = {76}, year = {2020}, month = {JUN}, pages = {884-888}, type = {Article}, abstract = {

In the title co-crystal, C22H24ClFN4O3{\textperiodcentered}C9H16O4, gefitinib (GTB; systematic name: quinazolin-4-amine) co-crystallizes with azelaic acid (AA; systematic name: nona-nedioic acid). The co-crystal has the monoclinic P21/n centrosymmetric space group, containing one mol-ecule each of GTB and AA in the asymmetric unit. A structure overlay of the GTB mol-ecule in the co-crystal with that of its most stable polymorph revealed a significant difference in the conformation of the morpholine moiety. The significant deviation in the conformation of one of the acidic groups of azelaic acid from its usual linear chain structure could be due to the encapsulation of one acidic group in the pocket formed between the two pincers of GTB namely, the morpholine and phenyl moieties. Both GTB and AA mol-ecules form N-H...O, O-H...N, C-H...O hydrogen bonds with C-H...F close contacts along with off-stacked aromatic π-π inter-actions between the GTB mol-ecules.

}, doi = {10.1107/S2056989020006623 }, author = {George, Christy P. and Sangtani, Ekta and Gonnade, Rajesh G.} } @article {47003, title = {Crystal-to-crystal synthesis of helically ordered polymers of trehalose by topochemical polymerization}, journal = {Angewandte Chemie-International Edition}, volume = {59}, year = {2020}, month = {FEB}, pages = {2897-2903}, type = {Article}, abstract = {

The synthesis of crystalline helical polymers of trehalose via topochemical azide-alkyne cycloaddition (TAAC) of a trehalose-based monomer is presented. An unsymmetrical trehalose derivative having azide and alkyne crystallizes in two different forms having almost similar packing. Upon heating, both the crystals undergo TAAC reaction to form crystalline polymers. Powder X-ray diffraction (PXRD) studies revealed that the monomers in both the crystals polymerize in a crystal-to-crystal fashion; circular dichroism (CD) studies of the product crystals revealed that the formed polymer is helically ordered. This solvent-free, catalyst-free polymerization method that eliminates the tedious purification of the polymeric product exemplifies the advantage of topochemical polymerization reaction over traditional solution-phase polymerization.

}, keywords = {Click reaction, helical polymers, polysaccharide, topochemical reactions, trehalose}, issn = {1433-7851}, doi = {10.1002/anie.201914164, Early Access Date = JAN 2020}, author = {Hema, Kuntrapakam and Gonnade, Rajesh G. and Sureshan, Kana M.} } @article {46876, title = {Cu-Ni bimetal integrated TiO2 thin film for enhanced solar hydrogen generation}, journal = {Solar RRL}, volume = {4}, year = {2020}, month = {MAY}, pages = {1900557}, type = {Article}, abstract = {

A series of non-noble Cu-Ni bimetallic catalysts is prepared with different molar proportions of metals. Of these bimetallic catalysts, 1 wt\% is subsequently integrated with titania P25. The catalysts are evaluated for solar hydrogen generation under 1 sun condition in both the powder and thin film forms. All the photocatalysts in the thin film exhibit an 8-24 times higher hydrogen yield (HY) compared with the corresponding particulate counterpart. The highest HY (41.7 mmol h(-1) g(-1)) is demonstrated for the photocatalyst Cu-Ni/TiO2 (CNT; 1:1 = Cu:Ni) in the thin film form, which is 24 times higher than that with its powder counterpart (1.75 mmol h(-1) g(-1)) and exceeds the performance of other Cu-Ni/TiO2 compositions. This enhanced activity in the thin film can be ascribed to improved absorption of visible light and an effective separation of photogenerated charge carriers at the interface of Cu-Ni/TiO2 leading to better charge carrier utilization.

}, keywords = {bimetals, energy conversion, Hydrogen, Photocatalysis, solar energy}, issn = {2367-198X}, doi = {10.1002/solr.201900557}, author = {Tudu, Bijoy and Nalajala, Naresh and Saikia, Pranjal and Gopinath, Chinnakonda S.} } @article {46734, title = {Differential modulation in metabolites revealed with the improvement in the shelf-life of alphonso fruits}, journal = {Molecular Biotechnology}, volume = {62}, year = {2020}, month = {OCT}, pages = {508-520}, type = {Article}, abstract = {

Globally farmers have difficulty in extending the shelf-life of the tropical fruits due to their perishable nature. The present study aimed to assess the effect of hexanal nano-formulation treatment (NFT) on the shelf-life of Alphonso mango. Further, volatilomics was performed to explore the molecular basis of such effect. Untreated and treated fruits were sampled starting from 5th to 21st day after NFT at an interval of 4 days. Moderate changes in visual and digital colour parameters were evident from the intact and dissected fruits of NFT set compared to untreated fruits. Biochemical assays affirmed the phenotypic differences with significant changes in the colour imparting compounds like carotenoids and anthocyanins among them. Further, gas chromatography-mass spectrometry analysis revealed significant qualitative and quantitative variations in the different classes of compounds like lactones, furanones, esters, aldehydes and alcohols. Some of the key metabolites showed differential modulations among the NFT and untreated fruit sets indicating their potential role in various processes, which ultimately might have resulted in delayed ripening of the mango. Overall, this study has demonstrated the beneficial effect of hexanal and identified important metabolites with the enhanced shelf-life in Alphonso that could be useful for farmers and mango-based food/flavour industries.

}, keywords = {Alphonso, GC-MS, Metabolites, Nano-biotechnology, Nano-formulation, Shelf-life, Volatilomics}, issn = {1073-6085}, doi = {10.1007/s12033-020-00267-7, Early Access Date = AUG 2020}, author = {Dar, M. Saleem and Dholakia, Bhushan B. and Shanmugam, Haripriya and Gupta, Vidya S. and Subramanian, K. S. and Subramanian, J. and Giri, Ashok P.} } @article {46787, title = {Directed holey and ordered g-C(3)N(4.5)nanosheets by a hard template nanocasting approach for sustainable visible-light hydrogen evolution with prominent quantum efficiency}, journal = {Journal of Materials Chemistry A}, volume = {8}, year = {2020}, month = {JUL}, pages = {13328-13339}, type = {Article}, abstract = {

It is desirable yet challenging to synthesize a highly ordered holey carbon nitride material with excess nitrogen atoms for a sustainable solar H(2)evolution. Herein, we report the development of directed highly ordered nitrogen-rich honeycomb-like mesoporous carbon nitride nanosheets by using a novel synthetic approach for this purpose. The unique formation route, surface structure and charge carrier dynamics of the two dimensional holey nanosheets are comprehensively monitored and confirmed by SAXS, HRTEM, AFM, BET, XPS and TRPL analyses. Non-stoichiometric high nitrogen content mesoporous nanosheets with the final stoichiometry of g-C(3)N(4.5)acquiring a high specific surface area (382 m(2)g(-1)), remarkable pore size (7.2 nm) and sheet thickness similar to 5-6 nm are realized in this first report. This elegant material possesses unique low band-gap energy (2.42 eV). Remarkably, the as-synthesized g-C(3)N(4.5)NSs exhibit a record high photocatalytic H(2)evolution rate of 8180 mu mol g(-1)h(-1)under the present light irradiation (420 \<=lambda \<= 510 nm) condition. The apparent quantum efficiency is found to be as high as 27.14\% at 420 nm and retains its photocatalytic activity for longer consecutive catalytic cycles. Bigger pore size and pore volume, and thin walls leading to shortening of the path length of exciton pairs, efficient charge separation and the prolonged average life time of the charge carriers, and lone electron pairs associated with the excess nitrogen content are found to be the reasons behind the excellent visible light driven water splitting reaction.

}, issn = {2050-7488}, doi = {10.1039/d0ta02734k}, author = {Antil, Bindu and Ranjan, Ravi and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {46869, title = {Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2020}, month = {MAY}, type = {Article; Early Access 2020}, abstract = {

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection has resulted in the current COVID-19 pandemic. Worldwide this disease has infected over 2.5 million individuals with a mortality rate ranging from 5 to 10\%. There are several efforts going on in the drug discovery to control the SARS-CoV-2 viral infection. The main protease (M-Pro) plays a critical role in viral replication and maturation, thus can serve as the primary drug target. To understand the structural evolution of M-Pro, we have performed phylogenetic and Sequence Similarity Network analysis, that depicted divergence of Coronaviridae M-Pro in five clusters specific to viral hosts. This clustering was corroborated with the comparison of M-Pro structures. Furthermore, it has been observed that backbone and binding site conformations are conserved despite variation in some of the residues. These attributes can be exploited to repurpose available viral protease inhibitors against SARS-CoV-2 M-Pro. In agreement with this, we performed screening of similar to 7100 molecules including active ingredients present in the Ayurvedic anti-tussive medicines, anti-viral phytochemicals and synthetic anti-virals against SARS-CoV-2 M-Pro as the primary target. We identified several natural molecules like delta-viniferin, myricitrin, taiwanhomoflavone A, lactucopicrin 15-oxalate, nympholide A, afzelin, biorobin, hesperidin and phyllaemblicin B that strongly binds to SARS-CoV-2 M-Pro. Intrestingly, these molecules also showed strong binding with other potential targets of SARS-CoV-2 infection like viral receptor human angiotensin-converting enzyme 2 (hACE-2) and RNA dependent RNA polymerase (RdRp). We anticipate that our approach for identification of multi-target-directed ligand will provide new avenues for drug discovery against SARS-CoV-2 infection. Communicated by Ramaswamy H. Sarma

}, keywords = {Coronavirus, COVID-19, hACE-2, MPro, multi-target-directed ligand, protease inhibitor, RdRp, SARS-CoV-2 virus}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1760137, Early Access Date = MAY 2020}, author = {Joshi, Rakesh S. and Jagdale, Shounak S. and Bansode, Sneha B. and Shankar, S. Shiva and Tellis, Meenakshi B. and Pandya, Vaibhav Kumar and Chugh, Anita and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article {46683, title = {Drug-drug cocrystals of anticancer drugs erlotinib-furosemide and gefitinib-mefenamic acid for alternative multi-drug treatment}, journal = {Crystengcomm}, volume = {22}, year = {2020}, month = {OCT }, pages = {6137-6151}, type = {Article}, abstract = {

Drug-drug cocrystals of anticancer drugs erlotinib and gefitinib with furosemide and mefenamic acid, respectively, have been synthesized. The 1:1 erlotinib-furosemide cocrystal crystallizes in the monoclinic centrosymmetric P2(1)/n space group containing one molecule of each component in the asymmetric unit. In contrast the 1:1 gefitinib-mefenamic acid cocrystal hydrate belongs to the monoclinic centrosymmetric P2(1)/c space group comprising one molecule of both drugs along with one water molecule in the asymmetric unit. The solubility and dissolution rate study revealed higher solubility for BCS class II drugs, furosemide, and mefenamic acid, while the solubility and dissolution rate of erlotinib showed a significant reduction in the cocrystal salt. Conversely, the solubility of gefitinib didn{\textquoteright}t reveal a substantial decrease; however, the dissolution rate has been reduced in the cocrystal hydrate. Further, an attempt has been made to correlate the crystal structures of the erlotinib-furosemide and gefitinib-mefenamic acid cocrystals with their solubilities and dissolution rate.

}, issn = {1466-8033}, doi = {10.1039/d0ce00353k}, author = {George, Christy P. and Thorat, Shridhar H. and Shaligram, Parth S. and Suresha, P. R. and Gonnade, Rajesh G.} } @article {46937, title = {Effect of aromatic rings and substituent on the performance of lithium batteries with rylene imide cathodes}, journal = {ChemElectroChem}, volume = {7}, year = {2020}, month = {MAR }, pages = {1160-1165}, type = {Article}, abstract = {

Rylene imides (RIs) are attractive organic battery materials because of the inherent modularity of the molecules. While strong aggregation of RIs is disadvantageous for fast lithium-ion transport in the organic active material, decreasing the solubility of the RIs in battery electrolytes is essential to avoid performance fading. Therefore, the design and synthesis of RIs for lithium batteries is a non-trivial task that must, among other considerations, balance lithium-ion transport in the solid material vs. low solubility by controlling aggregation and packing. We have chosen triphenylamine (TPA) as a substituent which disrupts the aggregation but maintains a low solubility due to increased aromaticity of TPA. We have synthesized three RIs with one, two, and four aromatic units in the core. All of them showed stable specific capacity over 300 charge-discharge cycles. The batteries also showed specific capacities close to their theoretical capacities with 97-99 \% coulombic efficiency. The maximum specific energy and specific power were 197 mWh g(-1) and 37 mW g(-1), respectively.

}, keywords = {lithium-ion batteries, organic cathode material, rylene imides, solubility, triphenylamine}, issn = {2196-0216}, doi = {10.1002/celc.202000118}, author = {Aher, Jagdish and Graefenstein, Alexander and Deshmukh, Gunvant and Subramani, Kumar and Krueger, Bastian and Haensch, Mareike and Schwenzel, Julian and Krishnamoorthy, Kothandam and Wittstock, Gunther} } @article {46643, title = {Effect of substituent of roof shape amines on the molecular recognition of optically active acids by NMR spectroscopy}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {NOV}, pages = {13183-13190}, type = {Article}, abstract = {

Optically active roof shape derivatives of benzyl amines were synthesized and screened as chiral solvating agents for the study of molecular recognition of chiral compounds by NMR and UV spectroscopy. The effect of substituents on the aromatic ring of benzyl unit is investigated to assess the binding ability with the analyte and an experimental correlation is observed. Altering the substituents on the ring of benzyl amine and the acidic substrates, significantly influence the CSA interactions. The supramolecular interactions between acid and amine in the single crystal X-ray analysis of the diastereomeric salts provide further insight of the mode of molecular recognition.

}, keywords = {Chiral Solvating Agents, molecular recognition, NMR spectroscopy, Roof Shape Amine, UV spectroscopy}, issn = {2365-6549}, doi = {10.1002/slct.202003338}, author = {Gupta, Riddhi and Gonnade, Rajesh G. and Bedekar, Ashutosh V.} } @article {46767, title = {Efficacy of clay catalysts for the dehydration of fructose to 5-hydroxymethyl furfural in biphasic medium}, journal = {Journal of Porous Materials}, volume = {27}, year = {2020}, month = {DEC}, pages = {1691-1700}, type = {Article}, abstract = {

5-Hydroxymethyl furfural (HMF) is one of the important platform chemical obtained from C6 sugars derived from biomass. The efficiency of montmorillonite clay catalysts (K-10, K-20, K-30, and Al pillared clay) has been systematically explored for the synthesis of HMF through dehydration of fructose in a biphasic solvent system. The catalysts were characterized by XRD, N(2)sorption,Al-27 MAS NMR,Si-29 NMR and FT-IR of chemisorbed pyridine. Acid treated K-10 catalyst was found to be the best among the clay catalysts tested. Various reaction parameters such as reaction temperature, catalyst content, solvent were optimized for achieving better yield of HMF. Under optimized reaction conditions, K-10 catalyst affords 80 mol\% fructose conversion with HMF yield of 61 mol\%. Insight into the type of acid sites essential for such cascade reactions has been furnished. Utilization of clay catalysts for HMF production will be beneficial to improve overall economics for the production of platform chemicals like HMF from biomass-derived raw materials.

}, keywords = {5-hydroxymethyl furfural, Acidity, Clays, fructose, Insights}, issn = {1380-2224}, doi = {10.1007/s10934-020-00943-8, Early Access Date = JUL 2020}, author = {Lucas, Nishita and Nagpure, Atul S. and Gurrala, Lakshmiprasad and Gogoi, Pranjal and Chilukuri, Satyanarayana} } @article {46806, title = {Efficacy of octahedral molecular sieves for green and sustainable catalytic reactions}, journal = {Molecular Catalysis}, volume = {490}, year = {2020}, month = {JUL}, pages = {110966}, type = {Review}, abstract = {

Sustainability and Green Chemistry has emerged as catchphrase in modern era and researchers worldwide have embraced it as new paradigm of development. In this context identifying potential materials able to curb multiple grave issues thus contributing towards sustainability is vital. Catalytic materials are quite potent for addressing current social, economic and environmental problems like harnessing alternative energy source, pollution prevention/remediation and manufacturing of commodity chemicals. Thus, the present review accentuates the efficacy of porous octahedral molecular sieves (OMS) as catalyst for such environmentally important reactions. It discusses about structural importance of OMS and their applications for green and sustainable catalytic reactions. Finally, the limitations are highlighted and future perspectives are presented which will ameliorate its catalytic utilization in energy and environmental domains.

}, keywords = {catalytic transformations, Lignocellulosic biomass, octahedral molecular sieves, platform chemicals, renewable feedstock}, issn = {2468-8231}, doi = {10.1016/j.mcat.2020.110966}, author = {Lucas, Nishita and Gurrala, Lakshmiprasad and Halligudi, S. B.} } @article {46713, title = {Efficient method for the synthesis of quinoxaline derivatives catalyzed by titanium silicate-1}, journal = {Research on Chemical Intermediates}, volume = {46}, year = {2020}, month = {DEC}, pages = {5219-5230}, type = {Article}, abstract = {

A series of quinoxaline derivatives were efficiently synthesized by convenient and simple procedure in excellent yields using 1 wt.\% of titanium silicate (TS-1) catalyzed reaction of 1,2-diamines and 1,2-diketones in methanol at room temperature. This reaction is scalable to multigram scale and the catalyst is recyclable. [GRAPHICS] .

}, keywords = {2-Diketones, Aromatic 1, o-Phenylenediamine, Quinoxaline, Room temperature, Titanium silicate-1}, issn = {0922-6168}, doi = {10.1007/s11164-020-04258-w, Early Access Date = SEP 2020}, author = {Chandrachood, Pranav S. and Jadhav, Amol R. and Garud, Dinesh R. and Deshpande, Nirmala R. and Puranik, Vedavati G. and Kashalkar, Rajashree V.} } @article {46768, title = {EGCG impedes human Tau aggregation and interacts with Tau}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {JUL}, pages = {12579}, type = {Article}, abstract = {

Tau aggregation and accumulation is a key event in the pathogenesis of Alzheimer{\textquoteright}s disease. Inhibition of Tau aggregation is therefore a potential therapeutic strategy to ameliorate the disease. Phytochemicals are being highlighted as potential aggregation inhibitors. Epigallocatechin-3-gallate (EGCG) is an active phytochemical of green tea that has shown its potency against various diseases including aggregation inhibition of repeat Tau. The potency of EGCG in altering the PHF assembly of full-length human Tau has not been fully explored. By various biophysical and biochemical analyses like ThS fluorescence assay, MALDI-TOF analysis and Isothermal Titration Calorimetry, we demonstrate dual effect of EGCG on aggregation inhibition and disassembly of full-length Tau and their binding affinity. The IC50 for Tau aggregation by EGCG was found to be 64.2 mu M.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-69429-6}, author = {Sonawane, Shweta Kishor and Chidambaram, Hariharakrishnan and Boral, Debjyoti and Gorantla, Nalini Vijay and Balmik, Abhishek Ankur and Dangi, Abha and Ramasamy, Sureshkumar and Marelli, Udaya Kiran and Chinnathambi, Subashchandrabose} } @article {46813, title = {Electronic structure evolution of Pd@Co nanocatalysts under oxidation and reduction conditions and preferential CO oxidation}, journal = {ChemCatChem}, volume = {12}, year = {2020}, month = {AUG }, pages = {4176-4184}, type = {Article}, abstract = {

Herein, we present the surface electronic structure and morphological evolution under reduction and oxidation conditions for Pd@Co (PC) core-shell nanoparticles with different Pd : Co ratio (PC=2 : 1, 1 : 1 and 1 : 2). Extensive measurements have been made with NAPXPS (near ambient pressure x-ray photoelectron spectroscopy) under oxidising and reducing conditions, and ex-situ HRTEM. It has been demonstrated that PC catalysts are thermally stable towards morphological changes, at least up to 575 K. Nonetheless, it shows a significant surface electronic structure changes under reaction environments, which are highly relevant to heterogeneous catalysis. As expected, high (low) population of metallic (oxidised) Co was observed, while retaining core shell structure under reduction (H(2)and vacuum annealing) environment. Interestingly, the Pd-Co metallic interface helps to overcome the pyrophoric nature of cobalt and stabilised a significant amount of metallic Co at Pd-Co interface even in the presence of 0.1 mbar O(2)up to 575 K. The presence of Pd-Co and Pd-Co@Co(3)O(4)interfaces in reaction environment makes the catalyst dual functional. The proof of concept has been explored in terms of oxidation of CO in the presence of H(2)or O-2.

}, keywords = {Core-Shell morphology, Electronic Structure, heterogeneous catalysis, interface, XPS}, issn = {1867-3880}, doi = {10.1002/cctc.202000644, Early Access Date = JUN 2020}, author = {Jain, Ruchi and Gopinath, Chinnakonda S.} } @article {46900, title = {Electrospun fibers and sorbents as a possible basis for effective composite wound dressings}, journal = {Micromachines}, volume = {11}, year = {2020}, month = {APR}, pages = {441}, type = {Article}, abstract = {

Skin burns and ulcers are considered hard-to-heal wounds due to their high infection risk. For this reason, designing new options for wound dressings is a growing need. The objective of this work is to investigate the properties of poly (epsilon-caprolactone)/poly (vinyl-pyrrolidone) (PCL/PVP) microfibers produced via electrospinning along with sorbents loaded with Argovit (TM) silver nanoparticles (Ag-Si/Al2O3) as constituent components for composite wound dressings. The physicochemical properties of the fibers and sorbents were characterized using scanning electron microscopy (SEM), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR) and inductively coupled plasma optical emission spectroscopy (ICP-OES). The mechanical properties of the fibers were also evaluated. The results of this work showed that the tested fibrous scaffolds have melting temperatures suitable for wound dressings design (58-60 degrees C). In addition, they demonstrated to be stable even after seven days in physiological solution, showing no macroscopic damage due to PVP release at the microscopic scale. Pelletized sorbents with the higher particle size demonstrated to have the best water uptake capabilities. Both, fibers and sorbents showed antimicrobial activity against Gram-negative bacteria Pseudomona aeruginosa and Escherichia coli, Gram-positive Staphylococcus aureus and the fungus Candida albicans. The best physicochemical properties were obtained with a scaffold produced with a PCL/PVP ratio of 85:15, this polymeric scaffold demonstrated the most antimicrobial activity without affecting the cell viability of human fibroblast. Pelletized Ag/Si-Al2O3-3 sorbent possessed the best water uptake capability and the higher antimicrobial activity, over time between all the sorbents tested. The combination of PCL/PVP 85:15 microfibers with the chosen Ag/Si-Al2O3-3 sorbent will be used in the following work for creation of wound dressings possessing exudate retention, biocompatibility and antimicrobial activity.

}, keywords = {electrospinning, poly (epsilon-caprolactone), poly (vinyl pyrrolidone), silver sorbents, wound dressings}, doi = {10.3390/mi11040441}, author = {Saul Alvarez-Suarez, Alan and Dastager, Syed G. and Bogdanchikova, Nina and Grande, Daniel and Pestryakov, Alexey and Carlos Garcia-Ramos, Juan and Lizeth Perez-Gonzalez, Graciela and Juarez-Moreno, Karla and Toledano-Magana, Yanis and Smolentseva, Elena and Antonio Paz-Gonzalez, Juan and Popova, Tatiana and Rachkovskaya, Lyubov and Nimaev, Vadim and Kotlyarova, Anastasia and Korolev, Maksim and Letyagin, Andrey and Jesus Villarreal-Gomez, Luis} } @article {46861, title = {Electrostatic manifestation of micro-heterogeneous solvation structures in deep-eutectic solvents: a spectroscopic approach}, journal = {Journal of Physical Chemistry B}, volume = {124}, year = {2020}, month = {MAY }, pages = {3709-3715}, type = {Article}, abstract = {

Deep eutectic solvents have emerged as inexpensive green alternatives to conventional solvents for diverse applications in chemistry and biology. Despite their importance as useful media in various applications, little is known about the microscopic solvation structures of deep eutectic solvents around solutes. Herein, we show that the electrostatic field, which can be estimated both from infrared experiments and theory, can act as a unified concept to report on the microscopic heterogeneous solvation of deep eutectic solvents. Using a fluorophore containing the carbonyl moiety as the solute and the electrostatic field as a descriptor of the solvation structure of the deep eutectic solvents, we report the residue-specific distribution, orientation, and hydrogen bonding in deep eutectic solvents constituting of choline chloride and alcohols of varying chain-lengths. We observe that an increase in alcohol chain-length not only affects the alcohol{\textquoteright}s propensity to form hydrogen bond to the solute but also alters the spatial arrangement of choline cations around the solute, thereby leading to a microheterogeneity in the solvation structure. Moreover, to extend our electrostatic field based strategy to other deep eutectic solvents, we report an emission spectroscopy based method. We show that this method can be applied, in general, to all deep eutectic solvents, irrespective of their constituents. Overall, this work integrates experiments with molecular dynamics simulations to provide insights into the heterogeneous DES solvation.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.9b11352}, author = {Chatterjee, Srijan and Haldar, Tapas and Ghosh, Deborin and Bagchi, Sayan} } @article {46747, title = {Elucidating the effect of CaF 2 on structure, biocompatibility and antibacterial properties of S53P4 glass}, journal = {Journal of Alloys and Compounds}, volume = {831}, year = {2020}, month = {AUG }, pages = {154704}, type = {Article}, abstract = {

The present work focuses on the synthesis and structural elucidation of fluoride containing bioactive glasses in the system (in mol\%) given by (53.86) SiO2\ {\textendash} (22.65) Na2O {\textendash} (21.77-x) CaO {\textendash} (1.72) P2O5\ {\textendash} x CaF2, where, x\ =\ 0, 5.44, 10.885 and 16.33. The role of the incorporated fluoride and its distribution within the glass were interpreted and analyzed using Molecular dynamics (MD) simulations and the results were compared with the modified random network (MRN) model. The interpretations from the model have been verified using the MAS-NMR spectroscopy technique. According to this model, fluoride containing bioactive glasses have been proposed to consist of silicate rich network regions and modifier cation {\textendash} fluoride rich inter-network regions. The interface region was found to consist of non-bridging oxygen species (NBO) and phosphate cations which are either isolated orthophosphates (Q0P) or bridged with silicates in the form of pyrophosphate (Q1P) units forming Si{\textendash}O{\textendash}P bonds. The gradual substitution of CaF2\ for CaO in the base glass resulted in an increase in the silicate network connectivity with a reduction in the NBOs and lead to an increase in the association of modifier cations with fluoride ions. However, fluoride ions were found to show a marginal preference to associate with Na+\ cations leading to a decrease in the association of Na+\ ions with orthophosphate and silicate units. These overall structural findings were correlated with the\ in\ vitro\ ion dissolution behaviour of the bioactive glasses as well as with the thermal properties. The glasses were tested for their\ in\ vitro\ cell viability towards mouse osteoblast type (MC3T3) cells in which fluoride containing bioactive glasses did not show any toxicity and exhibited better cell proliferation. The antibacterial efficacy of the fluoride containing glasses was tested at various concentrations (5, 10 and 20\ mg/ml) in\ E.coli\ bacterial inoculum in which bactericidal action was evidenced.

}, keywords = {Fluoride bioactive glasses, In~vitro apatite formation and bactericidal action, MAS-NMR spectroscopy, MD simulations}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2020.154704}, author = {Prasad, Sakthi and Ganisetti, Sudheer and Jana, Anuradha and Kant, Shashi and Sinha, P. K. and Tripathy, Sucheta and Illath, Kavya and Ajithkumar, T. G. and Annapurna, K. and Allu, Amarnath R. and Biswas, Kaushik} } @article {46782, title = {Enantioselective synthesis of tricyclic beta-lactones by NHC-catalyzed desymmetrization of cyclic 1,3-diketones}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {JUL}, pages = {5407-5411}, type = {Article}, abstract = {

The NHC-catalyzed desymmetrization of cyclic-1,3-diketones allowing the enantioselective construction of tricyclic beta-lactones with five contiguous stereocenters, including two quaternary stereocenters, has been developed. The mild and operationally simple addition of a-bromoenals to cyclopentane-1,3-diketone derivatives proceeds via the initial formation of chiral alpha,beta-unsaturated acylazolium intermediates and culminates in a cascade reaction, following the Michael-aldol-Iactonization pathway to deliver the beta-lactone derivatives in moderate to good yields and excellent selectivity.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c01756}, author = {Shee, Sayan and Mukherjee, Subrata and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {46837, title = {Engineering pore morphology using silica template route over mesoporous cobalt oxide and its implications in atmospheric pressure carbon dioxide hydrogenation to olefins}, volume = {19}, year = {2020}, month = {JUN}, pages = {100586}, type = {Article}, abstract = {

Highly ordered mesoporous cobalt oxides (denoted as m-Co-KIT-6 and m-Co-SBA-15) with three dimensional and two dimensional pore morphology respectively have been synthesized using 3D KIT-6, and 2D SBA-15 as silica template via nanocasting route. CO2 hydrogenation activity was evaluated for these mesoporous materials under atmospheric pressure conditions. In comparison to nanoparticles of cobalt oxide (Co3O4-nano), mesoporous catalysts showed excellent activity for CO2 hydrogenation due to their higher number of exposed active sites and lower mass diffusion limitations. The ordered mesoporous structure of Co3O4 catalysts favored the chain growth of carbon atoms for the production of C2+ hydrocarbons while Co3O4 nanoparticles showed strong selectivity toward CH4. High selectivity for C2+ (similar to 25\%) was obtained for both m-Co-KIT-6 and m-Co-SBA-15 catalysts at 320 degrees C. In addition, the 3D pore structure of m-Co-KIT-6 catalyst exclusively formed more olefins (54.9\%) fraction. (C) 2020 Published by Elsevier Ltd.

}, keywords = {CO2 hydrogenation, Mesoporous CO3O4, Olefin fraction, Pore morphology, Silica hard template}, issn = {2352-9407}, doi = {10.1016/j.apmt.2020.100586}, author = {Gupta, Sharad and Ciotonea, Carmen and Royer, Sebastien and Dacquin, Jean-Philippe and Vinod, C. P.} } @article {46981, title = {Epoxy functionalized polymer grafted magnetic nanoparticles by facile surface initiated polymerization for immobilization studies of Candida Antarctica lipase B}, journal = {Reactive \& Functional Polymers}, volume = {147}, year = {2020}, month = {FEB}, pages = {104454}, type = {Article}, abstract = {

Immobilization of Candida Antarctica lipase B (Cal-B) was done on the epoxy functionalized polymer (EFP) grafted magnetic nanoparticles (MNPs) via covalent attachment with the active epoxy groups. The EFP brushes were grafted on iron-oxide based MNPs by a facile surface-initiated atom transfer radical polymerization (ATRP) using activators generated by electron transfer (AGET) of glycidyl methacrylate (GMA). Each step of the surface modification, polymer grafting, and enzyme immobilization process on the polymer grafted MNPs was studied using Fourier transform infrared spectroscopy (FTIR). A thermogravimetric analysis (TGA) calculated the amount of engineered organic components, a transmission electron microscopy (TEM) visualized the core-shell formation of the MNPs, and a vibrating sample magnetometer (VSM) validated their magnetic properties at various modification stages. The lipase immobilization efficiency was described as a function of immobilization time, as well as, enzyme amount. The activity was characterized within a range of pH, temperature, kinetic parameters, resusability and storage stability, for both the free and immoblized Cal-B enzyme. The results of this study suggested that poly(GMA) grafted MNPs can be successfully used for the immobilization of Cal-B with improved efficiencies compared to those obtained with free soluble lipase. The reported enzyme immobilization method appears to be reproducible and scalable for industrial production.

}, keywords = {Cal-B enzymes, enzymes, Immoblization, Magnetic nanoparticles}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2019.104454}, author = {Afzal, Haq Asif and Ghorpade, Ravindra V. and Thorve, Asmita K. and Nagaraja, Sreeharsha and Al-Dhubiab, Bandar E. and Meravanige, Girish and Rasool, Sahibzada Tasleem and Roopashree, Teeka S.} } @article {46621, title = {Essential gene prediction using limited gene essentiality information-an integrative semi-supervised machine learning strategy}, journal = {PloS One}, volume = {15}, year = {2020}, month = {NOV }, pages = {e0242943}, type = {Article}, abstract = {

Essential gene prediction helps to find minimal genes indispensable for the survival of any organism. Machine learning (ML) algorithms have been useful for the prediction of gene essentiality. However, currently available ML pipelines perform poorly for organisms with limited experimental data. The objective is the development of a new ML pipeline to help in the annotation of essential genes of less explored disease-causing organisms for which minimal experimental data is available. The proposed strategy combines unsupervised feature selection technique, dimension reduction using the Kamada-Kawai algorithm, and semi-supervised ML algorithm employing Laplacian Support Vector Machine (LapSVM) for prediction of essential and non-essential genes from genome-scale metabolic networks using very limited labeled dataset. A novel scoring technique, Semi-Supervised Model Selection Score, equivalent to area under the ROC curve (auROC), has been proposed for the selection of the best model when supervised performance metrics calculation is difficult due to lack of data. The unsupervised feature selection followed by dimension reduction helped to observe a distinct circular pattern in the clustering of essential and non-essential genes. LapSVM then created a curve that dissected this circle for the classification and prediction of essential genes with high accuracy (auROC \> 0.85) even with 1\% labeled data for model training. After successful validation of this ML pipeline on both Eukaryotes and Prokaryotes that show high accuracy even when the labeled dataset is very limited, this strategy is used for the prediction of essential genes of organisms with inadequate experimentally known data, such as Leishmania sp. Using a graph-based semi-supervised machine learning scheme, a novel integrative approach has been proposed for essential gene prediction that shows universality in application to both Prokaryotes and Eukaryotes with limited labeled data. The essential genes predicted using the pipeline provide an important lead for the prediction of gene essentiality and identification of novel therapeutic targets for antibiotic and vaccine development against disease-causing parasites.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0242943}, author = {Nandi, Sutanu and Ganguli, Piyali and Sarkar, Ram Rup} } @article {47325, title = {Evaluation of uttroside B, a saponin from Solanum nigrum Linn, as a promising chemotherapeutic agent against hepatocellular carcinoma (vol 6, 36318, 2016)}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {NOV}, pages = {20431}, type = {Correction}, abstract = {

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-77440-0}, author = {Nath, Lekshmi R. and Gorantla, Jaggaiah N. and Thulasidasan, Arun Kumar T. and Vijayakurup, Vinod and Shah, Shabna and Anwer, Shabna and Joseph, Sophia M. and Antony, Jayesh and Veena, Kollery Suresh and Sundaram, Sankar and Marelli, Udaya K. and Lankalapalli, Ravi S. and Anto, Ruby John} } @article {46870, title = {Exploring magnetic XY behavior in a quasi-2D anisotropic triangular lattice of Cu(II) by functionalized graphene}, journal = {Inorganic Chemistry}, volume = {59}, year = {2020}, month = {MAY }, pages = {6214-6219}, type = {Article}, abstract = {

Study on magnetism in two-dimensional (2D) spin-lattices is advancing rapidly. In this work, phase-pure botallackite (Bo) (Cu-2(OH)(3)Br), a quasi-2D S = 1/2 anisotropic triangular spin-lattice is stabilized over 2D reduced graphene oxide (rGO) nanosheets via simple oxidation-reduction reaction chemistry. In comparison to polycrystalline Bo, such an anchoring resulted in the oriented growth of Bo crystallites in the Bo-rGO system. The Bo-rGO nanocomposite was found to be magnetically active with a Neel transition at 8.9 K, crossing over to possible XY anisotropy at similar to 5 K-as revealed by complementary dc and ac susceptibility measurements-an unprecedented observation in the field assigned to an interfacial effect. This work demonstrates the potential usage of nonmagnetic 2D functionalized graphene to significantly modulate the magnetic properties of 2D spin-lattices.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.0c00315}, author = {Gupta, Kriti and Dadwal, Arun and Jha, Plawan Kumar and Jain, Anil and Yusuf, S. M. and Joy, Pattayil A. and Ballav, Nirmalya} } @article {46905, title = {Extractive distillation configuration for nitric acid dehydration using sulfuric acid as a solvent}, journal = {Industrial \& Engineering Chemistry Research}, volume = {59}, year = {2020}, month = {APR }, pages = {6183-6193}, type = {Article}, abstract = {

In this work, an extractive distillation configuration for dehydration of nitric acid is proposed with sulfuric acid as a solvent. Thermodynamic modeling of the vapor-liquid equilibrium of binary and ternary systems of nitric acid/water/sulfuric acid is carried out using the electrolyte non-random two-liquid (eNRTL-RK) thermodynamic property method in the Aspen plus process simulator. The model performance is validated by comparing the experimental data with the estimated data by the eNRTL-RK model and is found to be in good agreement. The thermodynamic model is then used for developing a triple-column extractive distillation sequence, comprising a preconcentration column, an extractive distillation column, and a solvent recovery column. The configuration is designed, simulated, and optimized to concentrate dilute nitric acid using sulfuric acid as a solvent to break the nitric acid-water azeotrope. The operating and structural parameters of the distillation configuration are optimized simultaneously with an objective of minimizing the energy consumption and the total annual cost (TAC) of the overall configuration.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.0c00052}, author = {Ghuge, Pravin D. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {46911, title = {Fe3+ stabilized 3D cross-linked glycine-melamine formaldehyde networks as precursor for highly efficient oxygen reduction catalyst in alkaline media}, journal = {Materials Letters}, volume = {264}, year = {2020}, month = {APR 1}, pages = {127365}, type = {Article}, abstract = {

Development of inexpensive oxygen reduction electrocatalyst with high activity and durability is very important. Herein, iron carbide encapsulated pod-like graphitic carbon structures were prepared by simple pyrolysis involving Fe-glycine complex integrated melamine-formaldehyde resin precursor. The best catalyst among those studied, Fe-Gly 2 MF-C, possessing high degree of graphitization (I-D /I-G = 0.99) and enhanced specific surface area (205 m(2)/g) exhibited the highest ORR activity with a half-wave potential of 0.80 V in alkaline medium through the four-electron reduction pathway. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {fuel cell, Graphitic carbon alloy, Iron carbide, ORR}, issn = {0167-577X}, doi = {10.1016/j.matlet.2020.127365}, author = {Kottarathil, Shijina and Illathvalappil, Rajith and Nisa, S. and Sailaja, G. S. and Mohamed, Peer A. and Nair, Balagopal N. and Gopinathan, Anilkumar M. and Kurungot, Sreekumar and Yamaguchi, Takeo and Hareesh, U. S.} } @article {46649, title = {FeCl3-catalyzed oxidative decarboxylation of aryl/heteroaryl acetic acids: preparation of selected API impurities}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {NOV }, pages = {8459-8466}, type = {Article}, abstract = {

There is an ever-increasing demand for impurity compounds for use in impurity profiling as regulatory agencies seek information during registration. Herein, we report the FeCl3-catalyzed oxidative decarboxylation of aryl- and heteroaryl acetic acids to the corresponding carbonyl compounds. A variety of useful aldehydes and ketones were prepared in a simple one-pot transformation by employing an environmentally benign, low-cost, and readily available iron salt. The utility of this method has been demonstrated by preparing five valuable API impurities including a multi-gram-scale synthesis of ketorolac impurity B for the first time.

}, issn = {1477-0520}, doi = {10.1039/d0ob01790f}, author = {Gangadurai, Chinnakuzhanthai and Illa, Giri Teja and Reddy, D. Srinivasa} } @article {46689, title = {Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with pi-stacking interactions}, journal = {Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials}, volume = {76}, year = {2020}, month = {OCT}, pages = {850-864}, type = {Article}, abstract = {

The synthetically modified green fluorescent protein chromophore analogue 3,4,5-trimethoxybenzylidene imidazolinone (1) yielded five polymorphs (I, II, III, IV, V) concomitantly irrespective of the solvent used for crystallization. The pentamorphic modification of 1 is solely due to the interplay of iso-energetic weak intermolecular interactions in molecular associations as well as the conformational flexibility offered by a C-C single bond, which connects the electron-deficient moiety imidazolinone with the electron-rich trimethoxybenzylidene group. A common structural feature observed in all the polymorphs is the formation of a {\textquoteleft}zero-dimensional{\textquoteright} centrosymmetric dimeric unit through a short and linear C-H center dot center dot center dot O hydrogen bond engaging phenyl C-H and imidazolinone carbonyl oxygen. However, the networking of these dimeric units showed a subtle difference in all the polymorphs. The 2D isostructurality was observed between polymorphs I, II and III, while the other two polymorphs IV and V revealed only {\textquoteleft}zero-dimensional{\textquoteright} isostructurality. The different fluorescence emissions of Form I (blue) and Forms II to V (yellow) were attributed to the differences in pi-stacking interactions. It shows that one can modulate the photophysical properties of these smart materials by slightly altering their crystal structure. Such an approach will aid in developing new multi-colour organic fluorescent materials of varying crystal structures for live-cell imaging and fluorescent sensing applications.

}, keywords = {green fluorescent protein, hydrogen bonds, isostructurality, photoluminescence, pi-stacking, Polymorphs}, doi = {10.1107/S2052520620010343}, author = {Mali, Bhupendra P. and Dash, Soumya Ranjan and Nikam, Shrikant B. and Puthuvakkal, Anisha and Vanka, Kumar and Manoj, Kochunnoonny and Gonnade, Rajesh G.} } @article {46992, title = {Furan-derived chiral bicycloaziridino lactone synthon: collective syntheses of oseltamivir phosphate (Tamiflu), (S)-pipecolic acid and its 3-hydroxy derivatives}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {FEB }, pages = {415-424}, type = {Article}, abstract = {

A unified synthetic strategy for oseltamivir phosphate (tamiflu), (S)-pipecolic acid, and its 3-hydroxy derivatives from furan derived common chiral bicycloaziridino lactone synthon is described here. Key features are the short (4-steps), enantiopure, and decagram-scale synthesis of common chiral synthon from furan and its first-ever application in the total synthesis of biologically active compounds by taking the advantages of high functionalization ability of chiral synthon.

}, keywords = {Aziridine synthon, Chiral auxiliary, collective synthesis, Pipecolic acid, Tamiflu}, issn = {1861-4728}, doi = {10.1002/asia.201901523, Early Access Date = JAN 2020}, author = {Chavan, Subhash P. and Kadam, Appasaheb L. and Shinde, Shrikrishna S. and Gonnade, Rajesh G.} } @article {46778, title = {Gas-solid interactions with reactive and inert gas molecules by NAPUPS: can work function be a better descriptor of chemical reactivity?}, journal = {Physical Chemistry Chemical Physics}, volume = {22}, year = {2020}, month = {JUL}, pages = {15528-15540}, type = {Article}, abstract = {

The gas-phase vibrational spectra of reactive (H(2)and O-2) and inert gases (N(2)and Ar) have been studied by near-ambient pressure (NAP) ultraviolet photoelectron spectroscopy (NAPUPS) up to 0.3 mbar pressure. The results obtained are divided into two parts and discussed. In the first part, the photoelectron spectra of monoatomic Ar and some homonuclear diatomic molecules, such as H-2, O-2, and N-2, have been recorded by NAPUPS and the effect of pressure on their energy position has been studied. It has been demonstrated that NAPUPS could be an essential tool to determine the intermolecular or interatomic interactions. In the second part, we have evaluated the influence of different solid surfaces on the binding energy (BE) position, the pattern of the vibrational features of diatomic N(2)molecules, and the first atomic levels (3p(3/2)and 3p(1/2)) of monoatomic Ar. It has been observed that with a change in the (electronic/chemical) nature of the surface, the BE of the above features also changes and reflects the change in the work function (phi) of the material. It is to be noted that Ar is an inert/noble gas and N(2)is the most stable molecule, and the above changes observed underscore that they can be employed as probe atoms/molecules to explore even the minor changes that occur on a solid surface due to a variety of reasons. Further, if the solid surface undergoes any chemical/electronic changes due to gas-solid interaction, such as oxidation/reduction, the phi of the surface changes again; this highlights the precise identification of the changes that occur under the reaction/measurement conditions. Therefore, the change in the BE of the gas-phase features can be used to determine even the minor changes in the phi of solid surfaces during the reaction or due to the reaction. The present findings have implications in probing the surface changes that occur in any surface-dependent phenomena, such as heterogeneous catalysis, electrochemistry, and materials that are predominantly controlled by surface contribution, such as layered (2D) materials, nanomaterials.

}, issn = {1463-9076}, doi = {10.1039/d0cp02456b}, author = {Ghosalya, Manoj Kumar and Reddy, Kasala Prabhakar and Mhamane, Nitin B. and Ranjan, Ravi and Gopinath, Chinnakonda S.} } @article {46835, title = {Generation and evaluation of pharmacologically relevant drug-drug cocrystal for gout therapy}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {JUN }, pages = {3577-3583}, type = {Article}, abstract = {

The present study reports a novel drug-drug cocrystal of febuxostat and piroxicam for the treatment of gout. Single crystal X-ray diffraction revealed a monoclinic system with P2(1)/c space group. The prepared cocrystal enhanced the solubility of febuxostat and piroxicam and improved the dissolution rate of piroxicam in pH 6.8 as compared to the pure drug. Further, the compressibility assessment of cocrystal by Aulton and Wells method confirmed its plastic behavior and suitability for direct compression.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.0c00106}, author = {Modani, Sheela and Gunnam, Anilkumar and Yadav, Balvant and Nangia, Ashwini K. and Shastri, Nalini R.} } @article {46638, title = {Generation of novelties in the genus Ocimum as a result of natural hybridization: a morphological, genetical and chemical appraisal}, journal = {Industrial Crops and Products}, volume = {156}, year = {2020}, month = {NOV}, pages = {112859}, type = {Article}, abstract = {

The genus Ocimum is a boutique of a diverse set of specialized metabolites such as terpenoids and phenylpropanoids. Each Ocimum species and its cultivars represent a characteristic chemical profile. The present study explored the two interspecific Ocimum hybrids originating through a serendipitous natural cross between O. kilimandscharicum and O. basilicum. These two novel Ocimum hybrids exhibited intermediate morphological features of two parental species. Inter simple sequence repeats (ISSR) analysis and DNA barcoding with the plastid non-coding trnH-psbA intergenic spacer region reaffirmed unambiguous parental identification and differentiation of these natural hybrids from other available Ocimum species. Consequently, gas chromatographymass spectrometry-based metabolite profiling of two hybrids identified them as specific chemotypes with the presence of a unique blend of specialized metabolites from the parental species, which are either rich in terpenes or phenylpropanoids. Additionally, expression analysis of key genes from terpenoid and phenylpropanoid pathways corroborated with differential metabolite accumulation. Thus, these two Ocimum hybrids represented the novel chemotypes, which could be useful in commercial cultivation to produce novel essential oil and bioactive constituents. Further, the resulting metabolite diversity could have potential industrial applications in the areas of healthcare, bioremediation, and crop protection.

}, keywords = {Chemotype, DNA barcoding, Inter Simple Sequence Repeats, Interspecific hybrid, O. basilicum, O. kilimandscharicum, Ocimum}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2020.112859}, author = {Gurav, Tanuja P. and Jayaramaiah, Ramesha H. and Punekar, Sachin A. and Dholakia, Bhushan B. and Giri, Ashok P.} } @article {46863, title = {Graphene-MnO2 composite supercapacitor material accomplished tactically using liquid-liquid and solid-liquid interface reaction techniques}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAY}, pages = {6853-6861}, type = {Article}, abstract = {

A novel methodology is described to grow architectures of 3-dimensional graphene nanosheet (GNS)-manganese oxide (MnO2) composite materials to be used in supercapacitors. The in situ growth of the three-dimensional MnO2 fiber-network over the surface of graphene layers is achieved at the solid-liquid interface. The composite electrode shows good electron and charge transfer, rapid plus reversible faradaic reactions and excellent cyclic ability in electrochemical studies. The electrochemical properties of the as-prepared GNS-MnO2/FTO electrode material were assessed by cyclic voltammetry and galvanostatic charge/discharge tests. The specific capacitance of GNS-MnO2 reaches 683 F g(-1) at a current density of 2.2 A g(-1) and shows excellent cycle stability, retaining 96.9\% of its initial capacitance up to 5000 cycles. A coulomb efficiency of about 99\% displayed by the GNS-MnO2/FTO electrode is an excellent performance for a desired supercapacitor material. Herein, the charge storage mechanism in 3-dimensional graphene nanosheet (GNS)-manganese oxide (MnO2) composite is discussed in detail. Furthermore, at an elevated current density of similar to 10.86 A g(-1), a power density of similar to 6.235 kW kg(-1) is achieved, maintaining an energy density of similar to 7.99 kW h kg(-1); thus, it demonstrates promising potential as an electrode material for supercapacitor application.

}, issn = {1144-0546}, doi = {10.1039/c9nj05898b}, author = {Patil, Sagar H. and Gaikwad, Aarti P. and Waghmode, Babasaheb J. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article {46602, title = {Highly reproducible, simple and selective analytical method for extractive UV-visible spectrophotometric determination of ruthenium (III): analysis of catalyst, fissium alloy and sequential separation}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {243}, year = {2020}, month = {DEC}, pages = {118814}, type = {Article}, abstract = {

An easy and selective method has been developed for the extractive spectrophotometric determination of ruthenium(III) with 4-(4{\textquoteright}-flurobenzylideneimino)-3-methyl-5-mercapto-1,2,4-triazole (FBIMMT) as a chelating reagent. The basis of the method is the formation of stable complex of {\textquoteleft}soft base{\textquoteright} FBIMMT with {\textquoteleft}soft acid{\textquoteright} ruthenium(M). The reagent FBIMMT in n-butanol easily forms extractable yellow coloured complex with ruthenium(III) in acetate buffer of pH 4.8. The absorbance of [Ru(III)-FBIMMT] complex is measured at 394 nm against the reagent blank. Good linearity range of concentration up to 27.0 mu g mL(-1) of ruthenium(III) is attained with correlation coefficient R-2 = 0.998. The optimum concentration range is 6 to 27.0 mu g mL(-1) which is deduced by Ringbom{\textquoteright}s plot. The apparent molar absorptivity found to be 2.75 x 10(3) L mol(-1) cm(-1). Some additional characteristics such as limit of detection (LOD = 0.48 mu g mL(-1)), limit of quantification (LOQ = 1.19 mu g mL(-1)), and Sandell{\textquoteright}s sensitivity (SS = of 0.0367 mu g cm(-2)) arc also estimated. The composition of [Ru (III)-FBIMMT1 complex has been established from Job{\textquoteright}s continuous variation method, mole ratio method, and log-log plot method. The specificity towards ruthenium(III) is well studied and appropriate masking agents are applied wherever required to boost it. The intra-day and inter-day precision values are found to be brilliant with \% relative standard deviation of 0.52 and 0.68 respectively with \% accuracy within the range of 99.00-100. The method is effectively used for determination of ruthenium(III) from water samples, binary and ternary synthetic mixtures, fissium alloy samples and catalyst materials. A scheme for sequential group separation of ruthenium(III), palladium(II) and osmium (VIII) has also been developed. The reproducible results of the present method confirm that the method has a good potential for quantitative determination of ruthenium(III) from various matrices. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Alloy samples, FBIMMT, Ruthenium(III), Spectrophotometric determination, Synthetic mixtures}, issn = {1386-1425}, doi = {10.1016/j.saa.2020.118814}, author = {Shaikh, Abdul B. and Barache, Umesh B. and Khogare, Balaji T. and Goswami, Ritusmita and Kokare, Balasaheb N. and Wadgaonkar, Prakash P. and Gaikwad, Shashikant H.} } @article {47021, title = {High-throughput metabolomic and transcriptomic analyses vet the potential route of cerpegin biosynthesis in two varieties of Ceropegia bulbosa Roxb.}, journal = {Planta}, volume = {251}, year = {2020}, month = {JAN}, pages = {28}, type = {Article}, abstract = {

Ceropegia bulbosa is an important medicinal plant, used in the treatment of various ailments including diarrhea, dysentery, and syphilis. This is primarily attributed to the presence of pharmaceutically active secondary metabolites, especially cerpegin. As this plant belongs to an endemic threatened category, genomic resources are not available hampering exploration on the molecular basis of cerpegin accumulation till now. Therefore, we undertook high-throughput metabolomic and transcriptomic analyses using different tissues from two varieties namely, C. bulbosa var. bulbosa and C. bulbosa var. lushii. Metabolomic analysis revealed spatial and differential accumulation of various metabolites. We chemically synthesized and characterized the cerpegin and its derivatives by liquid chromatography tandem-mass spectrometry (LC-MS/MS). Importantly, these comparisons suggested the presence of cerpegin and 5-allyl cerpegin in all C. bulbosa tissues. Further, de novo transcriptome analysis indicated the presence of significant transcripts for secondary metabolic pathways through the Kyoto encyclopedia of genes and genomes database. Tissue-specific profiling of transcripts and metabolites showed a significant correlation, suggesting the intricate mechanism of cerpegin biosynthesis. The expression of potential candidate genes from the proposed cerpegin biosynthetic pathway was further validated by qRT-PCR and NanoString nCounter. Overall, our findings propose a potential route of cerpegin biosynthesis. Identified transcripts and metabolites have built a foundation as new molecular resources that could facilitate future research on biosynthesis, regulation, and engineering of cerpegin or other important metabolites in such non-model plants.

}, keywords = {5-Allyl cerpegin, Ceropegia, Cerpegin, LC-MS, metabolite, Transcriptome}, issn = {0032-0935}, doi = {10.1007/s00425-019-03319-8}, author = {Gharat, Sachin A. and Shinde, Balkrishna A. and Mule, Ravindra D. and Punekar, Sachin A. and Dholakia, Bhushan B. and Jayaramaiah, Ramesha H. and Ramaswamy, Gopalakrishna and Giri, Ashok P.} } @article {46891, title = {Identification and expression analysis of miRNAs and elucidation of their role in salt tolerance in rice varieties susceptible and tolerant to salinity}, journal = {PloS One}, volume = {15}, year = {2020}, month = {APR}, pages = {e0230958}, type = {Article}, abstract = {

Soil salinization is a serious problem for cultivation of rice, as among cereals rice is the most salt sensitive crop, and more than 40\% of the total agricultural land amounting to approximately 80 million ha the world over is salt affected. Salinity affects a plant in a varieties of ways, including ion toxicity, osmotic stress and oxidative damage. Since miRNAs occupy the top place in biochemical events determining a trait, understanding their role in salt tolerance is highly desirable, which may allow introduction of the trait in the rice cultivars of choice through biotechnological interventions. High throughput sequencing of sRNAs in the root and shoot tissues of the seedlings of the control and NaCl treated Pokkali, a salt-tolerant rice variety, identified 75 conserved miRNAs and mapped 200 sRNAs to the rice genome as novel miRNAs. Expression of nine novel miRNAs and two conserved miRNAs were confirmed by Northern blotting. Several of both conserved and novel miRNAs that expressed differentially in root and/or shoot tissues targeted transcription factors like AP2/EREBP domain protein, ARF, NAC, MYB, NF-YA, HD-Zip III, TCP and SBP reported to be involved in salt tolerance or in abiotic stress tolerance in general. Most of the novel miRNAs expressed in the salt tolerant wild rice Oryza coarctata, suggesting conservation of miRNAs in taxonomically related species. One of the novel miRNAs, osa-miR12477, also targeted L- upon salt treatment, which was confirmed by DAB staining. Thus, salt tolerance might involve miRNA-mediated regulation of 1) cellular abundance of the hormone signaling components like EREBP and ARF, 2) synthesis of abiotic stress related transcription factors, and 3) antioxidative component like LAO for mitigation of oxidative damage. The study clearly indicated importance of osa-miR12477 regulated expression of LAO in salt tolerance in the plant.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0230958}, author = {Parmar, Shaifaly and Gharat, Sachin Ashruba and Tagirasa, Ravichandra and Chandra, Tilak and Behera, Lambodar and Dash, Sushant Kumar and Shaw, Birendra Prasad} } @article {46975, title = {Improving the dissolution rate of the anticancer drug dabrafenib}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {FEB}, pages = {1035-1046}, type = {Article}, abstract = {

Dabrafenib (DBF) is an anticancer drug with selective B-Raf (BRAF) inhibition activity. In 2013, DBF was approved by the U.S. Food and Drug Administration (US-FDA) as a dabrafenib mesylate salt (DBF center dot MS). Because of insolubility in aqueous medium, specifically at the pH 4-8 biorelevant range, DBF is a Biopharmaceutics Classification System (BCS) Class II drug (i.e., low solubility and high permeability). Therefore, screening of novel salts and cocrystals was carried out using Generally Recognized as Safe (GRAS) coformers. A total of 10 salts/cocrystals including the mesylate salt were found to be stable under the crystallization conditions. Among acidic coformers, methane sulfonic acid (MS) and saccharin (SACH) formed salts, while fumaric acid (FA), succinic acid (SA), and adipic acid (ADA) gave cocrystals. However, monoamines formed a monohydrate salt where the water molecule is hydrogen bonded with the aminopyrimidine moiety of DBF. The replacement of monoamines with ethylenediamine (EN) dislocated the water molecule near the free amine of EN in the crystal structure with a change in space group from triclinic (P (1) over bar) to monoclinic (P2(1)/n). Dissolution measurements at pH 1.2 (0.1 N HCl) showed that DBF center dot EN superset of H2O dissolved rapidly compared to the DBF.MS salt (the dissolution rate of DBF center dot EN superset of H2O and DBF center dot MS is 11 and 2 times faster than that of DBF). Structure-activity relationship analysis showed that bonding of the aminopyrimidine moiety with strong hydrogen bond synthons inhibited dissolution, whereas a loosely bound or free site at the aminopyrimidine moiety enhanced the dissolution rate. Finally, a cytotoxicity study was performed for DBF, DBF center dot MS, and DBF center dot EN superset of H2O, which showed that DBF center dot EN superset of H2O is safe for normal cells and yet equally potent against cancer cells. Crystal engineering of an improved formulation of dabrafenib center dot ethylenediamine hydrate is presented as a new anticancer drug.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b01365}, author = {Rai, Sunil K. and Gunnam, Anilkumar and Mannava, M. K. Chaitanya and Nangia, Ashwini K.} } @article {46761, title = {In situ cross-linked nonaqueous polymer electrolyte for zinc-metal polymer batteries and hybrid supercapacitors}, journal = {Small}, volume = {16}, year = {2020}, month = {SEP}, pages = {2002528}, type = {Article}, abstract = {

This work reports the facile synthesis of nonaqueous zinc-ion conducting polymer electrolyte (ZIP) membranes using an ultraviolet (UV)-light-induced photopolymerization technique, with room temperature (RT) ionic conductivity values in the order of 10(-3)S cm(-1). The ZIP membranes demonstrate excellent physicochemical and electrochemical properties, including an electrochemical stability window of \>2.4 V versus Zn|Zn(2+)and dendrite-free plating/stripping processes in symmetric Zn||Zn cells. Besides, a UV-polymerization-assisted in situ process is developed to produce ZIP (abbreviated i-ZIP), which is adopted for the first time to fabricate a nonaqueous zinc-metal polymer battery (ZMPB; VOPO4|i-ZIP|Zn) and zinc-metal hybrid polymer supercapacitor (ZMPS; activated carbon|i-ZIP|Zn) cells. The VOPO(4)cathode employed in ZMPB possesses a layered morphology, exhibiting a high average operating voltage of approximate to 1.2 V. As compared to the conventional polymer cell assembling approach using the ex situ process, the in situ process is simple and it enhances the overall electrochemical performance, which enables the widespread intrusion of ZMPBs and ZMPSs into the application domain. Indeed, considering the promising aspects of the proposed ZIP and its easy processability, this work opens up a new direction for the emergence of the zinc-based energy storage technologies.

}, keywords = {nonaqueous electrolytes, polymer electrolytes, postlithium batteries, Supercapacitors, zinc-metal batteries}, issn = {1613-6810}, doi = {10.1002/smll.202002528, Early Access Date = JUL 2020}, author = {Vijayakumar, Vidyanand and Ghosh, Meena and Kurian, Maria and Torris, Arun and Dilwale, Swati and Badiger, V. Manohar and Winter, Martin and Nair, Jijeesh Ravi and Kurungot, Sreekumar} } @article {46909, title = {Influence of fluorine substitution on the molecular conformation of 3 {\textquoteleft}-deoxy-3 {\textquoteleft}-fluoro-5-methyluriaine}, journal = {Acta Crystallographica Section C-Structural Chemistry}, volume = {76}, year = {2020}, month = {APR}, pages = {346+}, type = {Article}, abstract = {

{Fluorine substitutions on the furanose ring of nucleosides are known to strongly influence the conformational properties of oligonucleotides. In order to assess the effect of fluorine on the conformation of 3{\textquoteright}-deoxy-3{\textquoteright}-fluoro-5-methyluridine (T-R(F)), C-10 H13FN2O5, we studied its stereochemistry in the crystalline state using X-ray crystallography. The compound crystallizes in the chiral orthorhombic space group P2(1)2(1)2(1) and contains two symmetry-independent molecules (A and B) in the asymmetric unit. The furanose ring in molecules A and B adopts conformations between envelope (E-2, 2{\textquoteright}-endo

}, keywords = {crystal structure, fluoro nucleoside, pseudorotation parameter, sugar puckering, uridine}, issn = {2053-2296}, doi = {10.1107/S2053229620003083}, author = {Aher, Manisha N. and Erande, Namrata D. and Kumar, Vaijayanti A. and Fernandes, Moneesha and Gonnade, Rajesh G.} } @article {46968, title = {Insights into the catalytic activity of Ru/NaY catalysts for efficient H-2 production through aqueous phase reforming}, journal = {Sustainable Energy \& Fuels}, volume = {4}, year = {2020}, month = {FEB }, pages = {678-690}, type = {Article}, abstract = {

Ruthenium nanoparticles supported on NaY zeolite catalysts were synthesized by a simple ion exchange method. The structural and morphological features of the catalysts were systematically investigated using numerous techniques such as N-2-sorption, XRD, CO2-TPD, H-2-TPR, TEM, SEM, ICP-OES, TGA, CHN analysis, XPS, in situ CO-FTIR and NMR spectroscopy. These novel Ru-NaY catalysts were highly active and selective for H-2 production through aqueous phase reforming (APR) of glycerol and ethylene glycol. Among the various catalysts evaluated for H-2 production, the 3 wt\% Ru-NaY catalyst demonstrated the highest catalytic performance with excellent H-2 selectivity and this catalyst exhibits better activity as compared to many state of the art catalysts reported so far. The superior catalytic activity of 3 wt\% Ru-NaY was attributed to the appropriate Ru metal loading, good metal dispersion, small size of Ru nanoparticles, better metal-support interaction, and higher availability of catalytically active sites (Ru-0) and facilitated water gas shift (WGS) reaction. This catalytic activity result clearly shows that NaY zeolite supported Ru nanoparticles catalysts have excellent potential for H-2 production from biomass-derived compounds.

}, issn = {2398-4902}, doi = {10.1039/c9se00797k}, author = {Gogoi, Pranjal and Nagpure, Atul S. and Kandasamy, Prabu and Satyanarayana, C. V. V. and Raja, Thirumalaiswamy} } @article {46828, title = {Insights of Bipolaris sorokinianasecretome-anin silicoapproach}, journal = {Biologia}, volume = {75}, year = {2020}, month = {DEC}, pages = {2367-2381}, type = {Article}, abstract = {

The plant pathogen,Bipolaris sorokiniana(teleomorph:Cochliobolus sativus), is of global concern as it attacks many economically important cereals and grasses. During the infection process, phytopathogenic fungi are known to secrete a variety of proteins collectively known as the secretome, analyzing which can help in deciphering the mechanism of fungal pathogenesis. In this study, we performedin silicosecretome analysis ofC. sativusstrain ND90Pr using established secretome prediction pipeline involving software tools such as SignalP, TargetP, TMHMM, big-PI Fungal Predictor, ProtComp, and WoLF PSORT. Using these software and other prediction criteria, we identified 196 probable secretory proteins from theB. sorokinianaproteome. Characterization of the predicted secretome revealed proteins that may have probable functions in degradation of the plant cell wall, lipids, proteins, and nucleic acids, as well as in pathogenesis and metabolism. Further, the PHI-base analysis identified 38 proteins having a possible role in pathogenicity and virulence. This study helped to predict the composition of the secretome ofB. sorokinianaand extrapolate its role in plant infection and pathogen survival. It may provide clues for developing new control strategies targeting the vital fungal secretory proteins.

}, keywords = {Cochliobolus sativus, pathogenesis, Phytopathogenic fungi, Secretory proteins, Virulence}, issn = {0006-3088}, doi = {10.2478/s11756-020-00537-4, Early Access Date = JUN 2020}, author = {Pathak, Gauri M. and Gurjar, Gayatri S. and Kadoo, Narendra Y.} } @article {46714, title = {Integrating structurally perfect s=1/2 kagome-lattice with reduced graphene oxide}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {SEP}, pages = {19753-19759}, type = {Article}, abstract = {

S = 1/2 kagome-lattice hydroxychlorides are promising candidates for realizing the elusive quantum spin liquid (QSL) state. Herbertsmithite [Cu3Zn(OH)(6)Cl-2], a naturally occurring hydroxychloride mineral from the class of atacamites {[Cu-4-xMx(OH)(6)X-2] where M = Zn, Cu, Co, Ni and X = Cl, Br, I}, is one of the most appealing systems to study the QSL state because of the presence of a structurally perfect S = 1/2 kagome-lattice. It is an electrical insulator. However, realizing phase-pure herbertsmithite without imposing harsh reaction conditions remained synthetically challenging. In this work, for the first time, we have synthesized phase-pure herbertsmithite as well as its structural analogue paratacamite, [ZnxCu4-x(OH)(6)Cl-2; 0.33 = x \< 1], at ambient reaction conditions. Furthermore, taking graphene oxide (GO) as an additional precursor in the reaction mixture, we have successfully integrated phase-pure crystallites of herbertsmithite (H) and paratacamite (P) with nanosheets of semiconducting and diamagnetic reduced graphene oxide (rGO) by in situ oxidation-reduction reaction. The isolated H-rGO and P-rGO systems were found to be magnetic semiconductors inheriting strong spin frustration from H and P, and semiconductivity from rGO. The H-rGO system in particular exhibited negative Seebeck coefficient (n-type semiconductor) with a thermoelectric power factor of 0.1 mu W center dot m(-1)center dot K-2 at 400 K. We anticipate the simple chemical principles outlined in this work to be useful for studying a variety of complex QSLs including electron doping. Also, semiconducting and rather unconventional materials of such metal oxochlorides with rGO isolated here need further exploration in view of thermoelectric applications.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.0c06564}, author = {Gupta, Kriti and Dadwal, Arun and Ninawe, Pranay and Joy, Pattayil A. and Ballav, Nirmalya} } @article {46939, title = {Intensified reactive distillation configurations for production of dimethyl ether}, journal = {Chemical Engineering and Processing-Process Intensification}, volume = {149}, year = {2020}, month = {MAR}, pages = {107824}, type = {Article}, abstract = {

The combustion properties of dimethyl ether (DME) are similar to the conventional fuels; hence it is being used as a promising green energy source. The conventional method of DME production by methanol dehydration is highly energy consuming due to the use of a series of distillation columns. In the present study, an energy efficient reactive distillation configuration is proposed for DME production which leads to higher methanol conversion with less energy requirement as compared to reported configurations. The reactive distillation (RD) and dual reaction zone reactive divided wall column (RDWC) were analyzed using steady state ASPEN simulations. Subsequently, all the design parameters were optimized by sensitivity analysis to minimize the Total Annual Cost (TAC) of the configuration. The results showed that the RD column is more energy efficient than RDWC as it requires 10.68 \% less TAC. The proposed RD and dual reaction zone RDWC configurations were found to have less specific energy requirements and less cost per kg of DME than any other configuration reported earlier.

}, keywords = {Energy efficient configuration, Reactive distillation, Reactive divided wall column, Total annual cost}, issn = {0255-2701}, doi = {10.1016/j.cep.2020.107824}, author = {Gor, Nikhil K. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {46640, title = {Investigation of bond topological and electrostatic properties of plumbagin molecule: an experimental and theoretical charge density study}, journal = {Journal of Molecular Structure}, volume = {1220}, year = {2020}, month = {NOV}, pages = {128714}, type = {Article}, abstract = {

Plumbagin is a naturally occurring derivative with several medicinal properties including antioxidants, antifungal, antimalarial, leprosy and antitumor properties; their structural and electrostatic properties are yet to be determined. The crystal structure of plumbagin has been solved; it shows that the compound crystallizes in P2(1)/c space group with two molecules in the asymmetric unit. The electron density distribution of both molecules have determined from multipole model refinement. Among all the C-O bonds of both molecules (I \& II), the OH group connected C-O bond and the methyl group connected C-C bond exhibits less electron density and the negative Laplacian of electron density as well. Further, the electrostatic potential (ESP) surface of two plumbagin molecules show some difference in their electronegative regions. The carbonyl O-atoms exhibit high electronegative ESP regions which are the key reactive locations of plumbagin when bind with the active site of target protein and in the ESP map, an aromatic pi-cloud also observed in one of the molecule. The electron density distribution of O-H center dot center dot center dot O intermolecular interactions between the molecules I and II, reveals that these interactions are found very stronger than the other interactions in the crystal. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Dipole moment, Electron density, Electrostatic potential, intermolecular interactions, Plumbagin}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2020.128714}, author = {Kalaiarasi, Chinnasamy and Sivanandam, Magudeeswaran and Suganya, Suresh and Christy, George and Gonnade, Rajesh G. and Hathwar, Venkatesha R. and Kumaradhas, Poomani} } @article {46745, title = {Iron-catalyzed direct julia-type olefination of alcohols}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {AUG }, pages = {9876-9886}, type = {Article}, abstract = {

Herein, we report an iron-catalyzed, convenient, and expedient strategy for the synthesis of styrene and naphthalene derivatives with the liberation of dihydrogen. The use of a catalyst derived from an earth-abundant metal provides a sustainable strategy to olefins. This method exhibits wide substrate scope (primary and secondary alcohols) functional group tolerance amino, nitro, halo, alkoxy, thiomethoxy, and S- and N-heterocyclic compounds) that can be scaled up. The unprecedented synthesis of 1-methyl naphthalenes proceeds via tandem methenylation/double dehydrogenation. Mechanistic study shows that the cleavage of the C-H bond of alcohol is the rate-determining step.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c01173}, author = {Landge, Vinod G. and Babu, Reshma and Yadav, Vinita and Subaramanian, Murugan and Gupta, Virendrakumar and Balaraman, Ekambaram} } @article {47026, title = {Kinetic and biocompatibility investigation on the catalytic ring opening polymerization of L-lactide in bulk using cyclic Bu2Sn initiators derived from ethylene glycol, pentaerythritol and cloisite 30B}, journal = {Polyhedron}, volume = {175}, year = {2020}, month = {JAN }, pages = {114202}, type = {Article}, abstract = {

In the present work, considering a green approach, PLLA was synthesized by the ring-opening polymerization of L-LA using various cyclic initiators (2,2-dibutyl-2-stanna-1,3-dioxacyclo ethane (1), spirocyclic tin (3) and cloisite modified tin (5)). PLLA was characterized by size exclusion chromatography, differential scanning calorimetry, H-1 and C-13 NMR, XRD and MALDI-TOF. The molecular weight distribution was narrow (\<1.5) for both low and high molecular weights (\>85,000 g/mol). An X-ray study showed the crystalline nature of PLLA, irrespective of the different types of initiators and polymerization conditions. A kinetic investigation showed that all polymerizations were first order with respect to the monomer and no termination reactions occurred during the polymerization. MALDI-TOF spectra of PLLA chains doped with Na+ and K+ cations show that the PLLA prepared using initiators 1 and 3 have hydroxyl and carboxyl end groups without incorporation of tin. The MALDI-TOF spectrum of PLLA prepared using initiator 5 also enabled the simultaneous detection of the linear and cyclic structure of PLLA without tin. Biocompatible and biodegradable PLLA was obtained, which could be used for biomedical applications. (C) 2019 Elsevier Ltd. All rights reserved.

}, keywords = {Cloisite modified tin, Cyclic tin initiator, MALDI-TOF, Poly (L-Lactide), Spirocyclic}, issn = {0277-5387}, doi = {10.1016/j.poly.2019.114202}, author = {Mohite, Kavita K. and Garnaik, Baijayantimala} } @article {46719, title = {LHRH-conjugated, PEGylated, poly-lactide-co-glycolide nanocapsules for targeted delivery of combinational chemotherapeutic drugs Docetaxel and Quercetin for prostate cancer}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {114}, year = {2020}, month = {SEP}, pages = {111035}, type = {Article}, abstract = {

One of the major challenges in effective cancer chemotherapy is the severe systemic cytotoxicities of anticancer drugs on healthy tissues. The present study reports chemically modified polymeric nanocapsules (NCs) encapsulating combination of chemotherapeutic drugs Docetaxel (DTX) and Quercetin (QU) for its active targeting to prostate cancer (PCa). The active targeting was achieved by conjugating Luteinizing-hormone-releasing hormone (LHRH) ligand to poly-lactide-co-glycolide (PLGA) using polyethylene glycol (PEG) as a spacer. The structure of the conjugates was characterized and confirmed using H-1 NMR and ATR-FTIR. The drug encapsulated NCs showed a homogenous size distribution with their size ranging between 120 and 150 nm, and exhibited a negative zeta potential in the range of - 20 to - 40 mV. The in vitro release studies highlighted the sustained drug release pattern from the respective NCs; while the PEG coating to polymeric NCs provided serum stability to the NCs. The in vitro biological evaluation of the NCs was conducted using PC-3 and LNCaP cell lines. The results of the cellular uptake studies showed a significantly higher untake of the LHRH targeted NCs, while the LHRH-targeted-PEGylated DTX: QU NCs exhibited higher caspase-3 activity. The cell viability assay results showed the enhanced cell inhibition activity of the combinatorial DTX: QU when compared to individual DTX. Further, higher cell cytotoxicity was achieved by LHRH-targeted DTX: QU NCs as compared to their free-form or non-targeted NCs. Finally, the results of in vivo tumor localization and in vivo antitumor activity studies complimented and upheld the in vitro results, demonstrating the beneficial role of PLGA-PEG-LHRH NCs encapsulating combination of DTX and QU in combating prostate cancer (PCa).

}, keywords = {Active targeting, Anticancer, Controlled release, EPR effect, Hydrophobic, Prostate}, issn = {0928-4931}, doi = {10.1016/j.msec.2020.111035}, author = {Shitole, Ajinkya A. and Sharma, Neeti and Giram, Prabhanjan and Khandwekar, Anand and Baruah, Meghna and Garnaik, Baijayantimala and Koratkar, Santosh} } @article {46991, title = {Ligand structure directed dimensionality reduction (2D -> 1D) in lead bromide perovskite}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {JAN}, pages = {1888-1897}, type = {Article}, abstract = {

Low dimensional (2D, 1D) lead halide perovskites are currently attracting huge research interest due to their enabling properties. Demonstrating synthetic control on the dimensionality/ structure of these perovskites is highly challenging. Dimensionality in these perovskites is largely dictated by the nature/structure and composition of the incorporating ligands and the utilized synthetic conditions. Here, we demonstrate chemical composition based control on reduction of dimensionality (2D -\> 1D) for lead bromide perovskite utilizing 2-(2-aminoethyl)isothiourea dihydrobromide as a common precursor ligand (Isothio Bromide). Controlling the hydrothermal reaction parameters (temperature, time) at a fixed precursor ratio affords corner-shared, contorted 2D sheet perovskite and corner-shared, contorted, chiral 1D chain perovskite. Such dimensionality reduction leads to contrasting photophysical properties: 1D chain perovskite shows long-lived and self-trapped broad band emission, whereas 2D perovskite shows short-lived, band edge emission with a long tail. Mechanistic studies and single crystal structure analysis reveal the incorporation of the utilized precursor ligand (Isothio Bromide) in 2D perovskite. Surprisingly, the 1D perovskite is found to be chiral (P2(1) space group) incorporating 2-(2-aminoethyldisulfanyl)ethanamine and ammonium ions as the achiral ligands generated in situ due to hydrothermal cleavage of the precursor (Isothio Bromide) ligand. Such structural and compositional change of the ligands, which manifests a different hydrogen bonding network in the resultant perovskite structure, plays a decisive role in dictating the final molecular formula and dimensionality/structure of the perovskite which largely controls their photophysical properties.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.9b11033}, author = {Bakthavatsalam, Rangarajan and Haris, Muhammed P. U. and Shaikh, Samir R. and Lohar, Amruta and Mohanty, Ashutosh and Moghe, Dhanashree and Sharma, Shivani and Biswas, Chinmoy and Raavi, Sai Santhosh Kumar and Gonnade, Rajesh G. and Kundu, Janardan} } @article {46757, title = {Lipid-dependent conformational landscape of the ErbB2 growth factor receptor dimers}, journal = {Chemistry and Physics of Lipids}, volume = {230}, year = {2020}, month = {AUG}, pages = {104911}, type = {Article}, abstract = {

Altered lipid metabolism has been linked to cancer development and progression. Several roles have been attributed to the increased saturation and length of lipid acyl tails observed in tumors, but its effect on signaling receptors is still emerging. In this work, we have analyzed the lipid dependence of the ErbB2 growth factor receptor dimerization that plays an important role in the pathogenesis of breast cancer. We have performed coarse-grain ensemble molecular dynamics simulations to comprehensively sample the ErbB2 monomer-dimer association. Our results indicate a dynamic dimer state with a complex conformational landscape that is modulated with increasing lipid tail length. We resolve the native N-terminal {\textquoteleft}{\textquoteleft}active{\textquoteright}{\textquoteright} and C-terminal {\textquoteleft}{\textquoteleft}inactive{\textquoteright}{\textquoteright} conformations in all membrane compositions. However, the relative population of the N-terminal and C-terminal conformers is dependent on length of the saturated lipid tails. In short-tail membranes, additional non-specific dimers are observed which are reduced or absent in long-tailed bilayers. Our results indicate that the relative population as well as the structure of the dimer state is modulated by membrane composition. We have correlated these differences to local perturbations of the membrane around the receptor. Our work is an important step in characterizing ErbB dimers in healthy and diseased states and emphasize the importance of sampling lipid dynamics in understanding receptor association.

}, keywords = {ErbB2 dimer, Lipid effects, Martini coarse-grained simulations, Membrane protein structure, Transmembrane association}, issn = {0009-3084}, doi = {10.1016/j.chemphyslip.2020.104911}, author = {Gopal, Srinivasa M. and Pawar, Aiswarya B. and Wassenaar, Tsjerk A. and Sengupta, Durba} } @proceedings {47328, title = {Magnetism in bimetallic NiII-CoII coordination polymer}, volume = {2265}, year = {2020}, month = {NOV}, publisher = {American Institute of Physics Inc.}, abstract = {

Co-BDC ([Co2(OH)2BDC], H2BDC = 1,4-benzenedicarboxylic acid) is known to possess metamagnetism originating from the antiparallel spins and high magneto crystalline anisotropy of Co(II).1\ Herein, we have introduced a bimetallic concept by incorporating Ni(II) along with Co(II) in the same coordination polymer to modulate the magneto crystalline anisotropy in the lattice which in turn, affects the overall magnetic response of the coordination polymer. The Curie-Weiss equation fit suggested antiparallel arrangement of the spins (θ ≈ -62.5 K) of Ni(II) and Co(II) arranged in alternate fashion. The cusp in magnetization was observed at 7 K (Tc) with a significant coercive field of \~{}750 Oe at 5 K.

}, doi = {10.1063/5.0017747}, author = {Gupta, Kriti and Dadwal, Arun and Joy, Pattayil and Ballav, Nirmalya} } @article {46755, title = {Maximization of furanic compounds formation by dehydration and hydrogenation of xylose in one step over SO3-H functionalized H-beta catalyst in alcohol media}, journal = {Biomass \& Bioenergy}, volume = {139}, year = {2020}, month = {AUG}, pages = {105646}, type = {Article}, abstract = {

Furanic compounds such as furfural (FUR); furfuryl alcohol (F. Alc) are important renewable platform chemicals can be used as such or further convert for preparation of other value added products such as Levulinic acid (LA), Alkyl Levulinates, 2-Methyltetrahydrofuran (MTHF), and Tetrahydrofuran (THF) etc. Sulfonated H-beta zeolite was successfully prepared and used for the synthesis of furanic compounds especially FUR and F. Alc from c-xylose in one step using isopropanol as alcohol media. Prepared catalyst was well characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), BET, NH3-Temperature programmed desorption (TPD) and carbon-hydrogen-nitrogen-sulfur analysis (CHNS). It was found the total acid amount was increased with increase in sulfur loading which confirmed the sulfonic acid group (SO3-H) was successfully grafted onto zeolite structure. 3 wt\% H-beta-SO3-H catalyst with optimized reaction parameters of 150 degrees C, 7 h, 25 wt\% catalyst loading was tuned to get the highest furanic compound yield of 88.5\% (FUR 76.8\% + F.Alc 11.7\%).The reusability study confirmed that there was a marginal drop of similar to 25\% after 3 recycle runs.

}, keywords = {furfural, Furfuryl alcohol, H-beta, isopropanol, sulfonated zeolite, Xylose}, issn = {0961-9534}, doi = {10.1016/j.biombioe.2020.105646}, author = {Gupta, Anshita and Nandanwar, Sachin U. and Niphadkar, Prashant and Simakova, Irina and Bokade, Vijay} } @article {46945, title = {Melatonin interacts with repeat domain of Tau to mediate disaggregation of paired helical filaments}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1864}, year = {2020}, month = {MAR}, pages = {129467}, type = {Article}, abstract = {

Tau is the major neuronal protein involved in the stabilization of microtubule assembly. In Alzheimer{\textquoteright}s disease, Tau self-assembles to form intracellular protein aggregates which are toxic to cells. Various methods have been tried and tested to restrain the aggregation of Tau. Most of the agents tested for this purpose have limitations in their effectiveness and availability to neuronal cells. We have tested melatonin, a neurohormone secreted by pineal gland and a well-known anti-oxidant, for its ability to interact with the repeat domain of Tau using ITC and NMR. In aggregation inhibition and disaggregation studies of repeat Tau, melatonin was found to modulate the aggregation propensity of repeat Tau at a concentration of 5000 mu M and was more effective in dissolving preformed aggregates rather than acting as an aggregation inhibitor. However, there were no major conformational changes in Tau in presence of melatonin as observed by CD spectroscopy. On the basis of our findings, we are proposing a mechanism by which melatonin can interact with the repeat domain of Tau and exhibit its disaggregation effect.

}, keywords = {Alzheimer{\textquoteright}s disease, Disaggregation, melatonin, Paired helical filaments, tau protein, Tauopathies}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2019.129467}, author = {Balmik, Abhishek Ankur and Das, Rashmi and Dangi, Abha and Gorantla, Nalini Vijay and Marelli, Udaya Kiran and Chinnathambi, Subashchandrabose} } @article {46619, title = {Molecular determinant for specificity: differential interaction of alpha-amylases with their proteinaceous inhibitors}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1864}, year = {2020}, month = {DEC}, pages = {129703}, type = {Review}, abstract = {

Background: alpha-Amylase inhibitors (alpha-AIs) belong to the discrete classes, and exhibited differential specificities against alpha-amylases from various sources. Several alpha-amylases and their complexes with inhibitors at the molecular level have been studied in detail. Interestingly, some alpha-AIs depict specific and selective interactions amid different insect alpha-amylases. Scope of review: There are studies to understand evolutionary variability and functional differentiation of insect alpha-amylases and their cognate inhibitors. We have examined sequence, structural, and interaction diversity between various alpha-amylases and alpha-AIs. Based on these analyses, we are providing a potential basis for the functional differentiation among certain insect a-amylases concerning mammalian counterparts and their interactions with different proteinaceous alpha-AIs. Major conclusions: Insect alpha-amylases have conserved domain architecture with differences in length, number of disulfide bonds, and secondary structure. Furthermore, few of them exhibit variable characteristics like chloride dependent activity, the presence of N-terminal glutamine residue to protect against proteolytic degradation, and loop variations near the enzyme active site. Conformation of alpha-AI protein could be an essential factor for their specificity and binding affinities towards target alpha-amylase(s). Furthermore, variation into the enzyme binding pocket residues might contribute to differential interactions with inhibitors. General significance: Molecular insights in the interactions between insect alpha-amylases and plant alpha-AI will provide the details of mechanisms assisting the inhibitor specificity. Furthermore, this information will help to design potent and effective alpha-AIs against specific alpha-amylase.

}, keywords = {Active site, alpha-amylase, alpha-amylase inhibitor, Insect, molecular interactions}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2020.129703}, author = {Rane, Ashwini S. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {46637, title = {Molecular investigation of coleopteran specific alpha-amylase inhibitors from amaranthaceae members}, journal = {International Journal of Biological Macromolecules}, volume = {163}, year = {2020}, month = {NOV}, pages = {1444-1450}, type = {Article}, abstract = {

alpha-Amylase inhibitors (alpha-AIs) target alpha-amylases and interfere with the carbohydrate digestion of insects. Among different classes of alpha-AIs, a knottin-type inhibitor from Amaranthus hypochondriacus (AhAI) was found to be specific against coleopteran storage pests. In this report, we have characterized three previously unidentified knottin-type alpha-AIs from various Amaranthaceae plants namely, Amaranthus hypochondriacus (AhAI2), Alternanthera sessilis (AsAI) and Chenopodium quinoa (CqAI). They contain a signal peptide, pro-peptide, and mature peptide. The mature peptides of the new alpha-AIs shared 68 to 78\% identity with AhAI and have highly variable pro-peptide regions. Along with the cystine-knot fold, they showed conservation of reactive site residues. All recombinant alpha-AIs were successfully expressed in their active form and native state using an oxidative cytoplasmic environment. Inhibition studies against various amylases revealed that these inhibitors showed selective inhibition of coleopteran recombinant insect alpha-amylases viz., Tribolium castaneum, and Callosobruchus chinensis. Tribolium castaneum alpha-amylase inhibition potency was highest for AhAI2 (Ki similar to 15 mu M) followed by AsAI (Ki similar to 43 mu M) and CqAI (Ki similar to 61 mu M). Interaction analysis of these inhibitors illustrated that the reactive site of inhibitors make several non-covalent interactions with the substrate-binding pocket of coleopteran alpha-amylases. The selectivity of these inhibitors against coleopteran a-amylases highlights their potential in storage grain pest control. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {alpha-amylase, alpha-amylase inhibitor, Amaranthaceae, Coleoptera, Knottin-type}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.07.219}, author = {Rane, Ashwini S. and Venkatesh, Varun and Joshi, Rakesh S. and Giri, Ashok P.} } @article {46898, title = {Nafion lonomer-based single component electrolytes for aqueous Zn/MnO2 batteries with long cycle life}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {8}, year = {2020}, month = {APR }, pages = {5040-5049}, type = {Article}, abstract = {

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

}, keywords = {aqueous Zn-ion batteries, Cycling stability, dendrite suppression, Electrodeposition, MnO2, Nafion ionomer separator, single component electrolyte}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.9b06798}, author = {Ghosh, Meena and Vijayakumar, Vidyanand and Anothumakkool, Bihag and Kurungot, Sreekumar} } @article {46789, title = {Nanocellulose reinforced flexible composite nanogenerators with enhanced vibrational energy harvesting and sensing properties}, volume = {2}, year = {2020}, month = {JUL}, pages = {2550-2562}, type = {Article}, abstract = {

We report here enhanced vibration and pressure sensing properties of nanocellulose reinforced flexible composite piezoelectric nanogenerators (PENGs). Surface fluorinated nanocellulose crystals (FNC) were incorporated into poly(vinylidene fluoride) (PVDF) and electrospun into composite nanofibers. Incorporation of only 2 wt \% FNC in PVDF resulted in a significant enhancement in pressure sensitivity with a very low detectable pressure limit of 10 Pa and a sensitivity of up to 18 mV/kPa. The composite PENGs also demonstrated very high sensitivity for forced continuous vibrations. 2FNC/PVDF composites resulted in an order of magnitude higher voltage response over neat PVDF for a given strain. When PENGs were mounted on a vacuum pump for transduction of mechanical vibrations into electrical energy, 2FNC/PVDF composite devices manifested similar to 3.8 times enhanced voltage output over neat PVDF and faster charging of a capacitor. The enhanced piezoelectric properties of PVDF/FNC nanocomposites could be attributed to the tailored interface between PVDF and nanocellulose and enhanced polarizability.

}, keywords = {Composite, Nanofiber, piezoelectric, pressure, Sensor, vibration}, issn = {2637-6105}, doi = {10.1021/acsapm.0c00158}, author = {Ram, Farsa and Gudadhe, Aniket and Vijayakanth, Thangavel and Aherrao, Swapnil and Borkar, Vivek and Boomishankar, Ramamoorthy and Shanmuganathan, Kadhiravan} } @article {46802, title = {Nanocrystalline Ag3PO4 for sunlight- and ambient air-driven oxidation of amines: high photocatalytic efficiency and a facile catalyst regeneration strategy}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {JUL}, pages = {29324-29334}, type = {Article}, abstract = {

Selective oxidation of amines to imines using sunlight as clean and renewable energy source is an important but challenging chemical transformation because of high reactivity of the generated imines and lack of visible light-responsive materials with high conversion rates. In addition, oxygen gas has to be purged in the reaction mixture in order to increase the reaction efficiency which, in itself, is an energy-consuming process. Herein, we report, for the first time, the use of Ag3PO4 as an excellent photocatalyst for the oxidative coupling of benzyl amines induced by ambient air in the absence of any external source of molecular oxygen at room temperature. The conversion efficiency for the selective oxidation of benzyl amine was found to be greater than 95\% with a selectivity of \>99\% after 40 min of light irradiation indicating an exceptionally high conversion efficiency with a rate constant of 0.002 min(-1), a turnover frequency of 57 h(-1), and a quantum yield of 19\%, considering all of the absorbed photons. Ag3PO4, however, is known for its poor photostability owing to a positive conduction band position and a favorable reduction potential to metallic silver. Therefore, we further employed a simple catalyst regeneration strategy and showed that the catalyst can be recycled with negligible loss of activity and selectivity.

}, keywords = {amine oxidation, energy harvesting, nanocrystalline Ag3PO4, Photocatalysis, regeneration strategy}, issn = {1944-8244}, doi = {10.1021/acsami.0c05961}, author = {Garg, Reeya and Mondal, Sanjit and Sahoo, Lipipuspa and Vinod, C. P. and Gautam, Ujjal K.} } @inbook {47306, title = {Nanorobots for in vivo monitoring: the future of nano-implantable devices}, booktitle = {Nanobiomaterial Engineering }, year = {2020}, pages = {227-252}, publisher = {Springer}, organization = {Springer}, abstract = {

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

}, doi = {10.1007/978-981-32-9840-8_12}, author = {Gandhi, Mamta and Nigam, Preeti} } @article {46803, title = {New TBAF complex, highly stable, facile and selective source for nucleophilic fluorination: applications in batch and flow chemistry}, journal = {Asian Journal of Organic Chemistry}, volume = {9}, year = {2020}, month = {JUL}, pages = {1022-1026}, type = {Article}, abstract = {

Natural polysaccharides supported tetrabutylammonium fluoride (TBAF) complexes are prepared and found to be highly stable and selective fluoride source for well-renowned nucleophilic (SN2 type) fluorination reactions for the first time. Bacterial cellulose, plant cellulose, pectin, and starch derived TBAF complexes are synthesized, characterized (using SEM, TEM, and NMR techniques) and studied for their stability and reactivity. Heterogeneous bacterial cellulose-TBAF complex (NBu4(Bac-cell-OH)F) 1 was found to be highly stable and non-hygroscopic among all complexes, which gave high yields of fluorinated products in multi-gram scale in shorter reaction time. The primarily developed batch protocol was extended to solid-solid continuous flow reaction using an in-house built screw reactor, which furnished products in a few seconds of residence time (tR=20-25 sec) and excellent yields.

}, keywords = {Flow synthesis, fluorination, green chemistry, Sustainable Chemistry}, issn = {2193-5807}, doi = {10.1002/ajoc.202000235}, author = {Said, Madhukar S. and Khonde, Nilesh S. and Thorat, Meghana N. and Atapalkar, Ranjit S. and Kulkarni, Amol A. and Gajbhiye, Jayant and Dastager, Syed G.} } @article {46751, title = {Nonenzymatic glucose detection in human serum using Ni nanoparticles decorated reduced graphene oxide}, journal = {Science of Advanced Materials}, volume = {12}, year = {2020}, month = {AUG}, pages = {1125-1136}, type = {Article}, abstract = {

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

}, keywords = {Electrochemical, Glucose Sensor, Graphene-Nickel Nanoparticles, hydrothermal, Nanocomposite, Nonenzymatic}, issn = {1947-2935}, doi = {10.1166/sam.2020.3776}, author = {Waichal, Rupali and Bhirud, Ashwini and Fouad, H. and Gosavi, Suresh and Ashokkumar, Muthupandian} } @article {46805, title = {Novel Ru nanoparticle catalysts for the catalytic transfer hydrogenation of biomass-derived furanic compounds}, journal = {Sustainable Energy \& Fuels}, volume = {4}, year = {2020}, month = {JUL }, pages = {3654-3667}, type = {Article}, abstract = {

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

}, issn = {2398-4902}, doi = {10.1039/d0se00361a}, author = {Nagpure, Atul S. and Gogoi, Pranjal and Lucas, Nishita and Chilukuri, V. Satyanarayana} } @article {47136, title = {Ofloxacin-loaded PLLA nanofibrous mats for wound dressing applications}, journal = {ACS Applied Bio Materials}, volume = {3}, year = {2020}, month = {AUG}, pages = {6648{\textendash}6660}, type = {Article }, abstract = {

Poly(l-lactide) (PLLA) was synthesized from l-lactide in the presence of a zinc salen complex. Ofloxacin (OFLX)-loaded PLLA nanofibrous mats were fabricated by electrospinning using dichloromethane/dimethyl sulfoxide (4:1 v/v) solutions containing different amounts of OFLX (1, 3, 5, and 10 w/w\%). The morphology and diameter of nanofibrous mats were studied by scanning electron microscopy (SEM). The internal morphology of the nanofibers was examined by transmission electron microscopy (TEM). Miscibility between OFLX and PLLA in nanofibrous mats was confirmed by attenuated total reflection{\textendash}Fourier transform infrared (ATR{\textendash}FTIR) spectroscopy. Differential scanning calorimetry (DSC) confirmed the interaction of OFLX with PLLA nanofibrous mats. The presence of OFLX in PLLA nanofibrous mats increased the tensile strength significantly, which was confirmed by dynamic mechanical analysis (DMA). The in vitro drug release profile was studied at pH values 4.6, 5.8, and 7.4. OFLX-loaded PLLA nanofibrous mats showed burst release till first 12 h, and sustained release followed up to 168 h. The in vitro biocompatibility test of nanofibrous mats was carried out using the 3-(4,5-dimethylthiazol-2yl)-2,5-diphenyl tetrazolium bromide (MTT) assay against the NIH/3T3 fibroblast cell line. The results of MTT assay demonstrated cell viability and cell proliferation at a concentration as low as 10 w/w\%, which proved their nontoxicity and biocompatibility. OFLX-loaded PLLA nanofibrous mats exhibited good antibacterial activity against Staphylococcus aureus and Escherichia coli. The in vivo wound healing study on rats showed 44, 65, and 88\% wound closure rates on 14th day with control, PLLA, and OFLX-loaded PLLA nanofibrous mats, respectively. The results proved that the PLLA nanofibrous mats loaded with an appropriate concentration of OFLX are promising candidates for wound dressing applications.

}, keywords = {nanofibers nontoxic biocompatible, PLLA ofloxacin, wound dressing}, doi = {10.1021/acsabm.0c00290}, author = {Rade, Priyanka P. and Garnaik, Baijayantimala} } @article {46838, title = {Palladium-catalyzed insertion of ethylene and 1,1-disubstituted difunctional olefins: an experimental and computational study}, journal = {ChemPlusChem}, volume = {85}, year = {2020}, month = {JUN}, pages = {1200-1209}, type = {Article}, abstract = {

Insertion or coordination copolymerization of ethylene with di-substituted olefins is challenging and the choice of di-substituted mono-functional olefin versus di-substituted di-functional olefin (DDO) appears to be decisive. Here we show that DDO-inserted species are amenable to ethylene insertion and polymerization. DDOs such as 2-acetamidoacrylic acid (AAA), methyl 2-acetamidoacrylate (MAAA), and ethyl 2-cyanoacrylate (ECA) were treated with palladium complex [{P perpendicular to O}PdMe(L)] (P perpendicular to O=kappa(2)-P,O-Ar2PC6H4SO2O with Ar=2-MeOC6H4; L=C2H6OS) and the existence of respective insertion intermediates in moderate yield (up to 37 \%) was established. These intermediates were exposed to ethylene and corresponding ethylene-inserted products were isolated and characterized. A careful comparison with three model compounds confirmed ethylene insertion and polymerization. Thus, the combined experimental and computational investigations show that DDO-inserted species can undergo ethylene insertion and polymerization.

}, keywords = {Homogeneous catalysis, insertion copolymerization, Olefins, Palladium, Polyethylene}, issn = {2192-6506}, doi = {10.1002/cplu.202000309}, author = {Gaikwad, Shahaji R. and Patel, Ketan and Deshmukh, Satej S. and Mote, Nilesh R. and Birajdar, Rajkumar S. and Pandole, Satish P. and Chugh, Jeetender and Chikkali, Samir H.} } @article {46726, title = {Pan-genomics of Ochrobactrum species from clinical and environmental origins reveals distinct populations and possible links}, journal = {Genomics}, volume = {112}, year = {2020}, month = {SEP}, pages = {3003-3012}, type = {Article}, abstract = {

Ochrobactrum genus is comprised of soil-dwelling Gram-negative bacteria mainly reported for bioremediation of toxic compounds. Since last few years, mainly two species of this genus, O. intermedium and O. anthropi were documented for causing infections mostly in the immunocompromised patients. Despite such ubiquitous presence, study of adaptation in various niches is still lacking. Thus, to gain insights into the niche adaptation strategies, pan-genome analysis was carried out by comparing 67 genome sequences belonging to Ochrobactrum species. Pan-genome analysis revealed it is an open pan-genome indicative of the continuously evolving nature of the genus. The presence/absence of gene clusters also illustrated the unique presence of antibiotic efflux transporter genes and type IV secretion system genes in the clinical strains while the genes of solvent resistance and exporter pumps in the environmental strains. A phylogenomic investigation based on 75 core genes depicted better and robust phylogenetic resolution and topology than the 16S rRNA gene. To support the pan-genome analysis, individual genomes were also investigated for the mobile genetic elements (MGE), antibiotic resistance genes (ARG), metal resistance genes (MRG) and virulence factors (VF). The analysis revealed the presence of MGE, ARG, and MRG in all the strains which play an important role in the species evolution which is in agreement with the pan-genome analysis. The average nucleotide identity (ANI) based on the genetic relatedness between the Ochrobactrum species indicated a distinction between individual species. Interestingly, the ANI tool was able to classify the Ochrobactrum genomes to the species level which were assigned till the genus level on the NCBI database.

}, keywords = {Antibiotic resistance, Average nucleotide identity, Clinical and environmental strains, Core genes, MinION, Virulence factors}, issn = {0888-7543}, doi = {10.1016/j.ygeno.2020.04.030}, author = {Gohil, Kushal and Rajput, Vinay and Dharne, Mahesh} } @article {46966, title = {Para-selective copper-catalyzed C(sp(2))-H amidation/dimerization of anilides via a radical pathway}, journal = {Chemical Communications}, volume = {56}, year = {2020}, month = {FEB }, pages = {1565-1568}, type = {Article}, abstract = {

Copper-catalyzed amidation/dimerization of anilides via regioselective C(sp(2))-H functionalization is achieved. The para-selective amidation is accomplished on the anilide aromatic ring via a radical pathway leading to C-N bond formation in the presence of ammonium persulfate as a radical source/oxidant for the copper catalyst. The developed protocol tolerates a wide range of anilide substrates. The regioselectivity is confirmed by single-crystal X-ray studies.

}, issn = {1359-7345}, doi = {10.1039/c9cc09824k}, author = {Viveki, Amol B. and Garad, Dnyaneshwar N. and Gonnade, Rajesh G. and Mhaske, Santosh B.} } @article {46996, title = {Pd-iminocarboxylate complexes and their behavior in ethylene polymerization}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {FEB }, pages = {398-405}, type = {Article}, abstract = {

Designing co-catalyst-free late transition metal complexes for ethylene polymerization is a challenging task at the interface of organometallic and polymer chemistry. Herein, a set of new, co-catalyst-free, single-component catalytic systems for ethylene polymerization have been unraveled. Treatment of anthranilic acid with various aldehydes produced four iminocarboxylate ligands (L1-L4) in very good to excellent yield (75-92 \%). The existence of 2-((2-methoxybenzylidene)amino) benzoic acid (L1) has been unambiguously demonstrated using NMR spectroscopy, MS and single-crystal X-ray diffraction. A neutral Pd-iminocarboxylate complex [{N O}PdMe(L1)] (N O=kappa(2)-N,O-ArCHNC6H4CO2 with Ar=2-MeOC6H4) C1 was prepared by treating stoichiometric amount of L1.Na with palladium precursor. The identity of C1 was confirmed by 1-2D NMR spectroscopy and single-crystal X-ray diffraction studies. Along the same lines, palladium complexes C2-C4 were prepared from ligands L2-L4 respectively. In-situ high-pressure NMR investigations revealed that these Pd complexes are amenable to ethylene insertion and undergo facile beta-H elimination to produce propylene. These palladium complexes were then evaluated in ethylene polymerization reaction and various reaction parameters were screened. When C1-C4 were exposed to ethylene pressures of 10-50 bar, formation of low-molecular-weight polyethylene was observed.

}, keywords = {imine, Imine-carboxylate, Insertion polymerization, Pd complexes, Polyethylene}, issn = {1861-4728}, doi = {10.1002/asia.201901501, Early Access Date = JAN 2020}, author = {Deshmukh, Satej S. and Gaikwad, Shahaji R. and Gonnade, Rajesh G. and Pandole, Satish P. and Chikkali, Samir H.} } @article {46616, title = {Penicillium janthinellum NCIM1366 shows improved biomass hydrolysis and a larger number of CAZymes with higher induction levels over Trichoderma reesei RUT-C30}, journal = {Biotechnology for Biofuels}, volume = {13}, year = {2020}, month = {DEC }, pages = {196}, type = {Article}, abstract = {

Background Major cost of bioethanol is attributed to enzymes employed in biomass hydrolysis. Biomass hydrolyzing enzymes are predominantly produced from the hyper-cellulolytic mutant filamentous fungus Trichoderma reesei RUT-C30. Several decades of research have failed to provide an industrial grade organism other than T. reesei, capable of producing higher titers of an effective synergistic biomass hydrolyzing enzyme cocktail. Penicillium janthinellum NCIM1366 was reported as a cellulase hyper producer and a potential alternative to T. reesei, but a comparison of their hydrolytic performance was seldom attempted. Results Hydrolysis of acid or alkali-pretreated rice straw using cellulase enzyme preparations from P. janthinellum and T. reesei indicated 37 and 43\% higher glucose release, respectively, with P. janthinellum enzymes. A comparison of these fungi with respect to their secreted enzymes indicated that the crude enzyme preparation from P. janthinellum showed 28\% higher overall cellulase activity. It also had an exceptional tenfold higher beta-glucosidase activity compared to that of T. reesei, leading to a lower cellobiose accumulation and thus alleviating the feedback inhibition. P. janthinellum secreted more number of proteins to the extracellular medium whose total concentration was 1.8-fold higher than T. reesei. Secretome analyses of the two fungi revealed higher number of CAZymes and a higher relative abundance of cellulases upon cellulose induction in the fungus. Conclusions The results revealed the ability of P. janthinellum for efficient biomass degradation through hyper cellulase production, and it outperformed the established industrial cellulase producer T. reesei in the hydrolysis experiments. A higher level of induction, larger number of secreted CAZymes and a high relative proportion of BGL to cellulases indicate the possible reasons for its performance advantage in biomass hydrolysis.

}, keywords = {Bioethanol, CAZymes, Cellulase, Penicillium janthinellum, Secretome, Trichoderma reesei}, doi = {10.1186/s13068-020-01830-9}, author = {Sreeja-Raju, Athiraraj and Christopher, Meera and Kooloth-Valappil, Prajeesh and Kuni-Parambil, Rajasree and Gokhale, Digambar Vittal and Sankar, Meena and Abraham, Amith and Pandey, Ashok and Sukumaran, Rajeev K.} } @article {46706, title = {Phase- and morphology-controlled synthesis of tunable plasmonic MoO3-x nanomaterials for ultrasensitive surface-enhanced raman spectroscopy detection}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {SEP }, pages = {21082-21093}, type = {Article}, abstract = {

The enhancement of the surface-enhanced Raman scattering (SERS) property of the plasmonic metal oxide semiconductor nanostructures by controlling their phase, shape, size, and oxygen vacancy to detect trace amounts of organics is of significant interest. In this study, a simple surfactant-free hydrothermal strategy was proposed to fabricate crystalline h-MoO3-x and alpha-MoO3-x nanomaterials with tunable plasmonic properties. Herein, the crystal phase, morphology, and oxygen vacancy of MoO3-x nanostructures were precisely controlled under suitable synthetic conditions. The plasmonic properties of the as-synthesized h-MoO3-x and alpha-MoO3-x micro-/nanostructures were controlled by adjusting the residual volume in the autoclaving chamber. In addition, the plasmonic MoO3-x exhibited SERS activity with a detection limit as low as 1.0 x 10(-9) M and the maximum enhancement factor (EF) up to 6.99 x 10(5) for h-MoO3-x, while for alpha-MoO3-x, the detection limit was 1.0 x 10(-7) M with the corresponding EF up to 8.51 x 10(3), comparable with plasmonic noble metal nanomaterials without a {\textquoteleft}{\textquoteleft}hot spot{\textquoteright}{\textquoteright}.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.0c06004}, author = {Patil, Manoj Krishnat and Gaikwad, Supriya Hanmant and Mukherjee, Shatabdi Porel} } @proceedings {47332, title = {Photocatalytic hydrogen production from H2S using nanostructured CNT blended CdZnS/Fe2O3 thin film on glass substrate}, volume = {1495}, year = {2020}, month = {MAR}, publisher = {IOP Publishing Ltd}, abstract = {

A co-precipitation method was employed to prepare the CNT blended CdZnS/Fe2O3\ photocatalyst. Using the powder photocatalyst, the thin film of CNT blended CdZnS/Fe2O3\ photocatalyst over a glass substrate was prepared using the drop-casting method. The obtained thin film was characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), energy-dispersive X-ray analysis (EDAX), photoluminescence (PL), and hydrogen production activity studies in order to obtain information on their structural, morphology, chemical composition, optical and hydrogen production efficiency. The hydrogen production activity of catalyst or effective conversion of H2S into hydrogen (H2) and sulfur (S) using thin-film photocatalyst was evaluated using a simulated sulfide solution. The results showed that 1 mg of CNT blended CdZnS/Fe2O3\ catalyst coated as thin film over glass substrate (4.69 cm2) showed the highest hydrogen production value of 3180 μmol h-1g-1; compared to that of 1 mg CNT blended CdZnS/Fe2O3\ powder of 2510 μmol h-1g-1. From the above results, it is concluded that the thin film form of photocatlyst produced more hydrogen than the powder form. This is attributed to the effective charge separation and increased specific surface area in thin film photocatalyst.

}, doi = {10.1088/1742-6596/1495/1/012035}, author = {Raja, M. Anthony and Vijayarengan, Preethi and Pal, Yash and Nalajala, Naresh and Gopinath, Chinnakonda} } @article {46774, title = {Photodynamic exposure of Rose-Bengal inhibits Tau aggregation and modulates cytoskeletal network in neuronal cells}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {JUL}, pages = {12380}, type = {Article}, abstract = {

The intracellular Tau aggregates are known to be associated with Alzheimer{\textquoteright}s disease. The inhibition of Tau aggregation is an important strategy for screening of therapeutic molecules in Alzheimer{\textquoteright}s disease. Several classes of dyes possess a unique property of photo-excitation, which is applied as a therapeutic measure against numerous neurological dysfunctions. Rose Bengal is a Xanthene dye, which has been widely used as a photosensitizer in photodynamic therapy. The aim of this work was to study the protective role of Rose Bengal against Tau aggregation and cytoskeleton modulations. The aggregation inhibition and disaggregation potency of Rose Bengal and photo-excited Rose Bengal were observed by in-vitro fluorescence, circular dichroism, and electron microscopy. Rose Bengal and photo-excited Rose Bengal induce minimal cytotoxicity in neuronal cells. In our studies, we observed that Rose Bengal and photo-excited Rose Bengal modulate the cytoskeleton network of actin and tubulin. The immunofluorescence studies showed the increased filopodia structures after photo-excited Rose Bengal treatment. Furthermore, Rose Bengal treatment increases the connections between the cells. Rose Bengal and photo-excited Rose Bengal treatment-induced actin-rich podosome-like structures associated with cell membranes. The in-vivo studies on UAS E-14 Tau mutant Drosophila suggested that exposure to Rose Bengal and photo-excited Rose Bengal efficiency rescues the behavioural and memory deficit in flies. Thus, the overall results suggest that Rose Bengal could have a therapeutic potency against Tau aggregation.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-69403-2}, author = {Dubey, Tushar and Gorantla, Nalini Vijay and Chandrashekara, Kagepura Thammaiah and Chinnathambi, Subashchandrabose} } @article {46955, title = {Plausible diagnostic value of urinary isomeric dimethylarginine ratio for diabetic nephropathy}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {FEB}, pages = {2970}, type = {Article}, abstract = {

Altered circulatory asymmetric and symmetric dimethylarginines have been independently reported in patients with end-stage renal failure suggesting their potential role as mediators and early biomarkers of nephropathy. These alterations can also be reflected in urine. Herein, we aimed to evaluate urinary asymmetric to symmetric dimethylarginine ratio (ASR) for early prediction of diabetic nephropathy (DN). In this cross-sectional study, individuals with impaired glucose tolerance (IGT), newly diagnosed diabetes (NDD), diabetic microalbuminuria (MIC), macroalbuminuria (MAC), and normal glucose tolerance (NGT) were recruited from Dr. Mohans{\textquoteright} Diabetes Specialties centre, India. Urinary ASR was measured using a validated high-throughput MALDI-MS/MS method. Significantly lower ASR was observed in MIC (0.909) and MAC (0.741) in comparison to the NGT and NDD groups. On regression models, ASR was associated with MIC [OR: 0.256; 95\% CI: 0.158-0.491] and MAC [OR 0.146; 95\% CI: 0.071-0.292] controlled for all the available confounding factors. ROC analysis revealed ASR cut-point of 0.95 had C-statistic of 0.691 (95\% CI: 0.627-0.755) to discriminate MIC from NDD with 72\% sensitivity. Whereas, an ASR cut-point of 0.82 had C-statistic of 0.846 (95\% CI: 0.800 - 0.893) had 91\% sensitivity for identifying MAC. Our results suggest ASR as a potential early diagnostic biomarker for DN among the Asian Indians.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-59897-1}, author = {Parmar, Dharmeshkumar and Bhattacharya, Nivedita and Kannan, Shanthini and Vadivel, Sangeetha and Pandey, Gautam Kumar and Ghanate, Avinash and Ragi, Nagarjuna Chary and Prabu, Paramasivam and Pramodkumar, Thyparambil Aravindakshan and Manickam, Nagaraj and Mohan, Viswanathan and Sripadi, Prabhakar and Kuppan, Gokulakrishnan and Panchagnula, Venkateswarlu} } @article {46877, title = {Poly (vinylpyrrolidone)-iodine engineered poly (epsilon-caprolactone) nanofibers as potential wound dressing materials}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {110}, year = {2020}, month = {MAY}, pages = {110731}, type = {Article}, abstract = {

Facilitating the process of wound healing and effective treatment of wounds remains a serious challenge in healthcare. Wound dressing materials play a major role in the protection of wounds and in accelerating the natural healing process. In the present study, novel core/shell (c/s) nanofibrous mats of poly(vinyl pyrrolidone)-iodine (PVPI) and polycaprolactone (PCL) were fabricated using a co-axial electrospinning process followed by their surface modification with poly-L-lysine. The developed nanofibrous mats were extensively characterized for their physicochemical properties using various analytical techniques. The core/shell structure of the PVP-I/PCL nanofibers was confirmed using TEM analysis. The PVP-I release studies showed an initial burst phase followed by a sustained release pattern of PVP-I over a period of 30 days. The developed nanofibers exhibited higher BSA and fibrinogen adsorption as compared to pristine PCL. Cytotoxicity studies using MTT assay demonstrated that the PVP-I/PCL (c/s) nanofibers were cytocompatible at optimized PVP-I concentration (3 wt\%). The PCL-poly-L-lysine and PVP-I/PCL-poly-L-lysine nanofibers exhibited higher cell viability (24.2\% and 21.4\% higher at day 7) when compared to uncoated PCL and PVP-I/PCL nanofibers. The PVP-I/PCL nanofibers showed excellent antimicrobial activity against both Gram-positive (S. aureus) and Gram-negative (E. coli) bacteria. The inflammatory response of Mouse RAW 264.7 macrophage cells towards the nanofibers was studied using RTPCR. It revealed that the pro-inflammatory cytokines (TNF-alpha and IL-1 beta) were significantly upregulated on PCL nanofibers, while their expression was comparatively lower on poly-L-lysine coated PCL or PVP-I/PCL(c/s) nanofibers. Overall, the study highlights the ability of poly-L-lysine coated PVP-I/PCL (c/s) nanofibers as potential wound dressing materials effectively facilitating the early stage wound healing and repair process by virtue of their selective modulation of inflammation, cell adhesion and antimicrobial properties.

}, keywords = {biodegradable, Controlled release, Core/shell, electrospinning, scaffolds, tissue engineering}, issn = {0928-4931}, doi = {10.1016/j.msec.2020.110731}, author = {Shitole, Ajinkya A. and Raut, Piyush and Giram, Prabhanjan and Rade, Priyanka and Khandwekar, Anand and Garnaik, Baijayantimala and Sharma, Neeti} } @article {46612, title = {Preparation, spectroscopic characterization, theoretical investigations, and in vitro anticancer activity of Cd(II), Ni(II), Zn(II), and Cu(II) complexes of 4(3H)-quinazolinone-derived schiff base}, journal = {Molecules}, volume = {25}, year = {2020}, month = {DEC}, pages = {5973}, type = {Article}, abstract = {

Herein, we report the synthesis and characterization of a new Schiff base ligand 3-[[(E)-(3-hydroxyphenyl)-methylidene]amino]-2-methyl-quinazolin-4(3 H)-one (HAMQ) and its Cd(II), Ni(II), Zn(II), and Cu(II) complexes (C-1-C-4). The ligand HAMQ was synthesized by reacting 3-hydroxybenzaldehyde and 3-amino-2-methyl-4(3H)-quinazolinone in a 1:1 molar ratio. The structure of the ligand and its complexes (C-1-C-4) were evaluated using ultraviolet (UV)-visible (Vis) light spectroscopy, H-1-NMR, Fourier-transform infrared (FT-IR) spectroscopy, MS, elemental analysis, conductance data, and thermogravimetric analysis (TGA). The characterization results suggested that the bidentate ligand, HAMQ, coordinated to the metal center through the lactum oxygen and the azomethine nitrogen. Moreover, all the metal complexes were analyzed using powder X-ray diffraction studies, which revealed that all of them belong to a triclinic crystal system. The research was supplemented by density functional theory (DFT) studies on the IR and UV-Vis spectra, as well as the chemical reactivity of the HAMQ and its four metallic derivatives making use of conceptual density functional theory (CDFT) by means of KID (Koopmans in DFT) methodology. The synthesized complexes displayed significant in vitro anticancer activity against human cancer cell lines (HeLa and HCT-115).

}, keywords = {3-quinolin-4(3H)-one, chemical reactivity properties, conceptual DFT, Metal complexes, spectral studies}, doi = {10.3390/molecules25245973}, author = {Ashok, Ubale Panchsheela and Kollur, Shiva Prasad and Anil, Nishad and Arun, Bansode Prakash and Jadhav, Sanjay Namdev and Sarsamkar, Sanjay and Helavi, Vasant Baburao and Srinivasan, Asha and Kaulage, Sandeep and Veerapur, Ravindra and Al-Rashed, Sarah and Syed, Asad and Ortega-Castro, Joaquin and Frau, Juan and Flores-Holguin, Norma and Glossman-Mitnik, Daniel} } @article {46822, title = {Rapid synthesis of zwitterionic phosphonium benzoates by a three-component coupling involving phosphines, arynes and CO2}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {JUL}, pages = {2203-2207}, type = {Article}, abstract = {

A mild and easy to perform multicomponent coupling involving phosphines, arynes generated from 2-(trimethylsilyl)aryl triflates, and CO(2)allowing the transition-metal-free synthesis of zwitterionic phosphonium benzoates has been developed. The reaction proceeds via the generation of 1 : 1 zwitterionic intermediates from phosphines and arynes followed by the interception with CO(2)to deliver the carboxylates in moderate to good yields instead of the anticipated benzooxaphosphol-3(1H)-ones.

}, keywords = {arynes, Carbon dioxide, multicomponent coupling, Phosphines, zwitterions}, issn = {1861-4728}, doi = {10.1002/asia.202000610, Early Access Date = JUN 2020}, author = {Bhattacharjee, Subrata and Raju, Anjali and Gaykar, Rahul N. and Gonnade, Rajesh G. and Roy, Tony and Biju, Akkattu T.} } @article {47017, title = {Recent advances in plant nanobionics and nanobiosensors for toxicology applications}, journal = {Current Nanoscience}, volume = {16}, year = {2020}, month = {JAN}, pages = {27-41}, type = {Review}, abstract = {

Emerging applications in the field of nanotechnology are able to solve a gamut of problems surrounding the applications of agroecosystems and food technology. Nano Engineered Material (NEM) based nanosensors are important tools for monitoring plant signaling pathways and metabolism that arc nondestructive, minimally invasive, and can provide real-time analysis of biotic and abiotic threats for better plant health. These sensors can measure chemical flux even at the single molecule level. Therefore, plant health could be monitored through nutrient management, disease assessment, plant hormones level, environmental pollution, etc. This review provides a comprehensive account of the current trends and practices for the proposed NEM related research and its (i) structural aspect, (ii) experimental design and performance as well as (iii) mechanisms of field application in agriculture and food system. This review also discusses the possibility of integration of data from NEM based nanosensors in current and emerging trends of precision agriculture, urban farming, and plant nanobionics to adopt a sustainable approach in agriculture,

}, keywords = {agro-ecosystems, engineered nanomaterials, nanobionics, Nanosensors, nanotechnology, nanotoxicology}, issn = {1573-4137}, doi = {10.2174/1573413715666190409101305}, author = {Ansari, Mohammad Hasan Dad and Lavhale, Santosh and Kalunke, Raviraj M. and Srivastava, Prabhakar L. and Pandit, Vaibhav and Gade, Subodh and Yadav, Sanjay and Laux, Peter and Luch, Andreas and Gemmati, Donato and Zamboni, Paolo and Singh, Ajay Vikram} } @article {46773, title = {Residue-based propensity of aggregation in the Tau amyloidogenic hexapeptides AcPHF6*and AcPHF6}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JUL}, pages = {27331-27335}, type = {Article}, abstract = {

In Alzheimer{\textquoteright}s disease and related tauopathies, the aggregation of microtubule-associated protein, Tau, into fibrils occursviathe interaction of two hexapeptide motifs PHF*(275)VQIINK(280)and PHF(306)VQIVYK(311)as beta-sheets. To understand the role of the constituent amino acids of PHF and PHF* in the aggregation, a set of 12 alanine mutant peptides was synthesized by replacing each amino acid in PHF and PHF* with alanine and they were characterized by nuclear magnetic resonance (NMR) spectroscopy, circular dichroism (CD), transmission electron microscopy (TEM) and ThS/ANS fluorescence assay. Our studies show that while the aggregation was suppressed in most of the alanine mutant peptides, replacement of glutamine by alanine in both PHF and PHF* enhanced the fibrillization.

}, doi = {10.1039/d0ra03809a}, author = {Dangi, Abha and Balmik, Abhishek Ankur and Ghorpade, Archana Kisan and Gorantla, Nalini Vijay and Sonawane, Shweta Kishor and Chinnathambi, Subashchandrabose and Marelli, Udaya Kiran} } @article {47317, title = {Role of exposed crystal facets in the atmospheric pressure CO hydrogenation on Co3O4}, journal = {Nano-Structures \& Nano-Objects}, volume = {23}, year = {2020}, month = {JUL}, type = {Article}, abstract = {

Co3O4 nanostructures with different exposed planes are studied for atmospheric pressure CO hydrogenation. Existence of different facets is characterized by HR-TEM and found Co3O4 - NSP (nanospheres) expose (112) facet, NB (nanobelts) exhibit (110) plane and (100) is the dominant surface facet in NC (nanocubes). Different catalytic activity is demonstrated by the specific facet of Co3O4 catalysts. CO hydrogenation is facet dependent and the catalytic activity follows the order of Co3O4-NB \> Co3O4-NC \> Co3O4-NSP.

}, doi = {10.1016/j.nanoso.2020.100504}, author = {Jain, Preeti and Gupta, Sharad and Vinod, C. P.} } @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 {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} } @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 {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 {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 {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 {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 {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 {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 {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 {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 {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 {46956, title = {Tale of biphenyl and terphenyl substituents for structurally diverse ketiminato magnesium, calcium and germanium complexes}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {MAR}, pages = {820-827}, type = {Article}, abstract = {

In this paper, we have used two N,O-ketiminato ligands (L1 and L2) with biphenyl and terphenyl substituent on the nitrogen atom. Deprotonation of L1 with KN(SiMe3)(2) and subsequent reaction with MgI2 led to a homoleptic dinuclear magnesium complex (1) with a Mg2O2 four-membered ring. Deprotonation with nBuLi and subsequent reaction with MgI2 afforded a unusual dinuclear magnesium complex (2) with a Mg2O2 ring. Extension of the ligand for calcium resulted in a trinuclear calcium complex (3) with six four-membered Ca2O2 rings. We could not isolate any chelating complex when L2 was used as a ligand, and only oxygen bound magnesium (4) and calcium (5) adducts were isolated. DFT studies were performed to understand this dissimilar behavior. More diverse results were obtained when lithiated L1 and L2 were treated with germanium dichloride. We were able to stabilize a monomeric germylene monochloride (7) with L1. However, with L2, an unusual ligand scrambling, and a C-C coupling take place, leading to the formation of a secondary carbocation with GeCl3- as a counter-anion (8). Besides, a germanium dichloride adduct (9) bound to the oxygen center of the ligand was obtained as the minor product.

}, keywords = {calcium, Germylene, ligand, Magnesium, X-ray Structure}, issn = {1861-4728}, doi = {10.1002/asia.201901801, Early Access Date = FEB 2020}, author = {Kumar, Rohit and Yadav, Sandeep and Gour, Kritika and Sangtani, Ekta and Ranjan Dash, Soumya and Raja, Abhishekram and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {46644, title = {Teixobactin: a paving stone toward a new class of antibiotics?}, journal = {Journal of Medicinal Chemistry}, volume = {63}, year = {2020}, month = {NOV }, pages = {12171-12195}, type = {Article}, abstract = {

Antimicrobial resistance is a serious threat to human health worldwide, prompting research efforts on a massive scale in search of novel antibiotics to fill an urgent need for a remedy. Teixobactin, a macrocyclic depsipeptide natural product, isolated from uncultured bacteria (Elef theria terrae), displayed potent activity against several Gram-positive pathogenic bacteria. The distinct pharmacological profile and interesting structural features of teixobactin with nonstandard amino acid (three Damino acids and L-allo-enduracididine) residues attracted several research groups to work on this target molecule in search of novel antibiotics with new mechanism. Herein, we present a comprehensive and critical perspective on immense possibilities offered by teixobactin in the domain of drug discovery. Efforts made by various research groups since its isolation are discussed, highlighting the molecule{\textquoteright}s considerable potential with special emphasis on replacement of amino acids. Critical analysis of synthetic efforts, SAR studies, and the way forward are provided hereunder.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.0c00173}, author = {Gunjal, Vidya B. and Thakare, Ritesh and Chopra, Sidharth and Reddy, D. Srinivasa} } @article {46741, title = {Terminal uridylyl transferase mediated site-directed access to clickable chromatin employing CRISPR-dCas9}, journal = {Journal of the American Chemical Society}, volume = {142}, year = {2020}, month = {AUG}, pages = {13954-13965}, type = {Article}, abstract = {

Locus-specific interrogation of target genes employing functional probes such as proteins and small molecules is paramount in decoding the molecular basis of gene function and designing tools to modulate its downstream effects. In this context, CRISPR-based gene editing and targeting technologies have proved tremendously useful, as they can be programmed to target any gene of interest by simply changing the sequence of the single guide RNA (sgRNA). Although these technologies are widely utilized in recruiting genetically encoded functional proteins, display of small molecules using CRISPR system is not well developed due to the lack of adequate techniques. Here, we have devised an innovative technology called sgRNA-Click (sgR-CLK) that harnesses the power of bioorthogonal click chemistry for remodeling guide RNA to display synthetic molecules on target genes. sgR-CLK employs a novel posttranscriptional chemoenzymatic labeling platform wherein a terminal uridylyl transferase (TUTase) was repurposed to generate clickable sgRNA of choice by site-specific tailoring of multiple azide-modified nucleotide analogues at the 3{\textquoteright} end. The presence of a minimally invasive azide handle assured that the sgRNAs are indeed functional. Notably, an azide-tailed sgRNA targeting the telomeric repeat served as a Trojan horse on the CRISPR-dCas9 system to guide synthetic tags (biotin) site-specifically on chromatin employing copper-catalyzed or strain-promoted click reactions. Taken together, sgR-CLK presents a significant advancement on the utility of bioorthogonal chemistry, TUTase, and the CRISPR toolbox, which could offer a simplified solution for site-directed display of small molecule probes and diagnostic tools on target genes.

}, issn = {0002-7863}, doi = {10.1021/jacs.0c06541}, author = {George, Jerrin Thomas and Azhar, Mohd and Aich, Meghali and Sinha, Dipanjali and Ambi, Uddhav B. and Maiti, Souvik and Chakraborty, Debojyoti and Srivatsan, Seergazhi G.} } @article {47022, title = {Theoretical study on cyclophane amide molecular receptors and its complexation behavior with TCNQ}, journal = {Journal of Photochemistry and Photobiology B-Biology}, volume = {203}, year = {2020}, month = {JAN}, pages = {111735}, type = {Article}, abstract = {

Complexation behavior of cyclophane amide molecular receptors towards 7,7,8,8-tetracyanoquinodimethane (TCNQ) studied. TD-B3LYP/6-31 + G(d,p) based density functional theory was employed to investigate the photophysical characteristics of the complexes obtained. Syn isomers of cyclophane amide molecular hosts show preferred conformation over other conformations. Molecular Orbital analysis indicates the electronic structure change, which reflects in the absorption spectra of the cyclophane amide-1@TCNQ, and cyclophane amide-2@TCNQ charge-transfer (CT) complexes. Binding energy studies with B3LYP-D3/6-31 + G (d,p) theory demonstrated that the more effective binding of the pyridine-2,6-dicarboxamide macrocycles than for their isophthalamide analogs. Both the CT complexes show intermolecular bifurcated hydrogen bonding (N-H-(host)center dot center dot center dot N-(guest)center dot center dot center dot H-N-(host)) interactions (2.06 to 2.08 angstrom), and pi((host))center dot center dot center dot pi((guest)) interactions (3.2 to 3.4 angstrom). Calculated BSSE corrected complexation energy (Delta E) be associated with the formation of the inclusion complexes in the range - 28 to similar to 37 kJ mol(-1), indicating spontaneity of host-guest complex formation in both the cases. From the calculated vibrational spectra of these complexes, the formation of inclusion complexes via N - H-(host)center dot center dot center dot N-(guest) and pi((host))center dot center dot center dot pi((guest)) intermolecular interactions established by the frequency shift in the N - H vibrations. Mulliken population analysis performed to recognize the CT process and the variation in charges between the free and complex TCNQ molecules suggests the intermolecular charge transfer. This study indicates that these cyclophane amides can be a decent CT complexation host for the guests like TCNQ.

}, keywords = {Absorption, Charge transfer complex, Cyclophane amides, Electrostatic potential surface, Host-guest, Molecular orbitals, Time-dependent density functional theory}, issn = {1011-1344}, doi = {10.1016/j.jphotobiol.2019.111735}, author = {Sundaram, Soma Sundaram Meenakshi and Karthick, Selvam and Sailaja, Krishnamurty and Karkuzhali, Rajendran and Gopu, Gopalakrishnan} } @article {46795, title = {Total synthesis of (-)-2-methoxy-2-butenolide-3-cinnamate and its antimicrobial potentials}, journal = {Natural Product Research}, year = {2020}, month = {JUL}, type = {Article; Early Access 2020}, abstract = {

The first total synthesis of (-)-2-methoxy-2-butenolide-3-cinnamate (butenolide cinnamate) was achieved using commercially available starting material. The synthesized compound was found to have promising antibacterial activity against Gram-negative strainsEscherichia coli(ATCC 8739),Salmonella typhimurium(ATCC 23564) andPseudomonas aeruginosa(ATCC 19154) with a minimum inhibitory concentration of 2.0 mu g/mL, 1.0 mu g/mL and 2.0 mu g/mL, respectively. Notably, the compound was more potent against Gram-negative test strains than the Gram-positive test strains.

}, keywords = {antibacterial activity, butenolide cinnamate, Total synthesis}, issn = {1478-6419}, doi = {10.1080/14786419.2020.1789979, Early Access Date = JUL 2020}, author = {Said, Madhukar S. and Udavant, Rohini and Sahu, Amit Kumar and Khan, Abujunaid and Nayak, Rashmi and Dastager, Syed G. and Kumar, Pradeep and Gajbhiye, Jayant} } @article {46957, title = {Towards in situ continuous feeding via controlled release of complete nutrients for fed-batch culture of animal cells}, journal = {Biochemical Engineering Journal}, volume = {154}, year = {2020}, month = {FEB }, pages = {107436}, type = {Article}, abstract = {

Small-scale culture of animal cells in suspension is of importance for many applications. At a small-scale, fed-batch is achieved either by manual bolus feeding or the use of liquid handling robots. In this study, we report an alternate application of a hydrogel for in situ continuous delivery of a nutrient feed comprising 18 amino acids, vitamins, antioxidants, and trace elements. We show that amino acid release is sustained for at least seven days. Importantly, release rates of individual amino acids can be independently modulated by changing their loading. We demonstrate the application of this hydrogel for complete in situ feeding of nutrients to a suspension adapted CHO cell line expressing IgG leading to 2.7-fold and 4-fold improvement in integral viable cell density (IVCD) and volumetric productivity respectively. This is similar to improvements obtained by bolus liquid feeding. Further, supplying glucose from the same hydrogel to eliminate manual feeding led to a 1.8-fold increase in IVCD accompanied by a 3-fold increase in volumetric productivity as compared to batch culture. In summary, this study provides a proof-of-concept that hydrogels can enable completely closed in situ feeding for mammalian cell culture requiring no external intervention. Such continuous in situ delivery can potentially enable closed culture systems maintaining nutrients at low levels mimicking physiological concentrations.

}, keywords = {Amino acids, CHO cells, Closed system, Fed-batch, Hydrogel for continuous feeding, In situ nutrient release}, issn = {1369-703X}, doi = {10.1016/j.bej.2019.107436}, author = {Rawat, Jyoti and Gadgil, Mugdha} } @article {46759, title = {Transition metal nickel prevents Tau aggregation in Alzheimer{\textquoteright}s disease}, journal = {International Journal of Biological Macromolecules}, volume = {156}, year = {2020}, month = {AUG }, pages = {1359-1365}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease is the leading cause of dementia, effecting majority of aged people worldwide. The multifaceted effectors of Alzheimer{\textquoteright}s disease primarily include Tau, amyloid-beta along with hyper activation of kinases, oxidative stress and mutations etc., makes it challenging to design therapeutics. Tau is a microtubule-associating protein, which is subjected to cellular stress resulting in the formation of neurofibrillary tangles, leading to loss of affinity for microtubules. This causes loss of microtubule stability and in turn alters axonal integrity. In the present work, emphasis towards understanding interaction of nickel with Tau was made. Metals such as iron, zinc, copper and lead etc., are known to modulate Tau conformation and enhance its aggregation. Our results showed the deliverance of Tau aggregation by nickel and its synthetic morpholine conjugate. Nickel prevents aggregation by inducing degradation of Tau as evidenced by SDS-PAGE and TEM. Nickel and the synthetic conjugate being non toxic to neuro2a cells and prevent Tau aggregation, might direct these complexes to overcome AD. (C) 2019 Published by Elsevier B.V.

}, keywords = {Aggregation, Alzheimer{\textquoteright}s disease, metals, Morpholine, Nickel chloride, Tau}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2019.11.176}, author = {Gorantla, Nalini Vijay and Das, Rashmi and Balaraman, Ekambaram and Chinnathambi, Subashchandrabose} } @article {46910, title = {Transmetallation vs adduct: diverse reactivity of N,O-ketiminato germylene with [Cp*MCl2](2) (M = Rh or Ir; Cp* = eta(5)-C5Me5) and MCl5 (M = Nb and Ta)}, journal = {Journal of Organometallic Chemistry}, volume = {911}, year = {2020}, month = {APR }, pages = {121142}, type = {Article}, abstract = {

The reactions of the germylenes, [(Dipp)NCMeCHCORGeCl] (1a: R = Me, 1b: R = Ph) with [Ir2Cl2(mu-Cl)(2)(eta(5)-Cp*)(2)] led to the formation of the adducts [(Dipp)NCMeCHCORGeClIrCl2Cp*] (3a: R = Me and 3b: R = Ph). On the other hand, [Rh2Cl2(mu-Cl)(2)(eta(5)-Cp*)(2)] does not react with the germylenes (1a and 1b). When the reactions of 1a and 1b are carried out with [Cp*TaCl4], the reaction led to decomposition. The reaction of 1a or 1b with TaCl5 yielded the transmetallated products [(Dipp)NCMeCHCORTaCl4] (4a: R = Me, 4b: R = Ph) with the extrusion of GeCl2. Our theoretical studies show that for, the insertion of TaCl5 to 1a and the formation of 4a with concomitant elimination of GeCl2 is energetically favourable. Extrusion of SnCl2 is also observed when the corresponding stannylene, [(Dipp)NCMeCHCOMeSnCl] was reacted with TaCl5. All these compounds have been characterized by H-1 and C-13 NMR spectroscopy, elemental analysis and the constitution of compounds 1b, 3b, and 4a were confirmed by single-crystal X-ray crystallography. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Adduct formation, Germylenes, Iridium, Ketoiminate, Tantalum, Transmetallation}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2020.121142}, author = {Raghavendra, Beesam and Bakthavachalam, K. and Das, Tamal and Roisnel, Thierry and Sen, Sakya S. and Vanka, Kumar and Ghosh, Sundargopal} } @article {46982, title = {Tris-heteroleptic ruthenium(II) polypyridyl complexes: Synthesis, structural characterization, photophysical, electrochemistry and biological properties}, journal = {Journal of Inorganic Biochemistry}, volume = {203}, year = {2020}, month = {FEB}, pages = {110903}, type = {Article}, abstract = {

{Three water-soluble tris-heteroleptic ruthenium(II) polypyridyl complexes [Ru(bpy)(phen)(bpg)](2+) (1), [Ru (bpy)(dppz)(bpg)]2+ (2), and [Ru(phen)(dppz)(bpg)]2+ (3) (where bpy = 2,2{\textquoteright}-bipyridine

}, keywords = {Circular dichroism, Cytotoxicity, fluorescence, Polypyridyl, ruthenium}, issn = {0162-0134}, doi = {10.1016/j.jinorgbio.2019.110903}, author = {Bhat, Satish S. and Kumbhar, Avinash S. and Purandare, Neeraja and Khan, Ayesha and Grampp, Gunter and Loennecke, Peter and Hey-Hawkins, Evamarie and Dixit, Ruchi and Vanka, Kumar} } @article {46984, title = {Tuning phosphorescence features of triphenylamines by varying functional groups and intermolecular interactions}, journal = {Dyes and Pigments}, volume = {173}, year = {2020}, month = {FEB}, pages = {107931}, type = {Article}, abstract = {

Organic room temperature phosphorescent materials are known for their synthetic feasibility, tunable phosphorescence wavelength and lifetime, etc. Hence new design strategies have been applied on various fluorophores to improve phosphorescence features. Among those, triphenylamines are phosphorescence active due to the presence of nitrogen atom, propeller molecular structure, and intermolecular interactions in the crystal state. Here we have studied the room temperature phosphorescence of a series of triphenylamines with various functional groups. Detailed studies have shown that the phosphorescence can be fine-tuned by functional group modification. A long phosphorescence lifetime around 100 ms at room temperature in air can be achieved by the interplay of intermolecular interactions, singlet-triplet energy gap and extent of intersystem crossing using functional group variation. Interestingly, an exciplex assisted ultralong phosphorescence lifetime (more than 20 times) is observed for a combination of triphenylamine and naphthalenemonoimide in air.

}, keywords = {Exciplex, fluorescence, Phosphorescence, triphenylamine}, issn = {0143-7208}, doi = {10.1016/j.dyepig.2019.107931}, author = {Goudappagouda and Asokan, Kiran and Nayak, Rashmi and Krishnan, Retheesh and Babu, Sukumaran Santhosh} } @article {46601, title = {Understanding unfolding and refolding of the antibody fragment (Fab). I. In-vitro study}, journal = {Biochemical Engineering Journal}, volume = {164}, year = {2020}, month = {DEC}, pages = {107764}, type = {Article}, abstract = {

In-vitro protein refolding is a major rate-limiting step in the large scale production of antibody fragments expressed using a microbial source like E. coli. This investigation is focused on understanding the in-vitro unfolding and refolding of the multi-domain protein involving inter-domain disulfide linkage, like antibody fragment (Fab). Solubilization behavior of the inclusion bodies and unfolding events of Fab fragment (Biosimilar rHu Ranibizumab) were studied using nano-differential scanning fluorimetry (nano-DSF). Fab unfolding behavior was studied by fitting experimental data with the two-state and three-state thermodynamic model. Based on the Fab unfolding understanding, a two-stage design of experiment (DoE) strategy was used for the optimization of the in-vitro refolding condition of a Fab fragment. Refolding yield of 56.03 +/- 1.15 \% was achieved using the optimized oxidative refolding conditions maintained by appropriate dilution factor and redox reagent ratio. Refolding kinetics of the rHu Ranibizumab was analyzed using a three-parameter kinetic model showing rate constant k(1) :7.05e(-6) l/mg.min, k(2) :0.57 l/mg.min, and k(3) :310.19 l/mg.min. Based on observed refolding kinetics, it was concluded that the Fab refolding follows a three-state mechanism with the refolding intermediate/(s) formation from light and heavy chain of the Fab fragment as an overall rate-limiting step. The method described here is a useful tool to identify high-yield scalable refolding conditions for multi-domain proteins involving inter-domain disulfide bonds.

}, keywords = {Antibody fragment, In-vitro refolding, Refolding kinetics, rHu Ranibizumab, Two-state and Three-state models}, issn = {1369-703X}, doi = {10.1016/j.bej.2020.107764}, author = {Gani, Kayanat and Bhambure, Rahul and Deulgaonkar, Prashant and Mehta, Deepa and Kamble, Manoj} } @article {46885, title = {Unique N doped Sn3O4 nanosheets as an efficient and stable photocatalyst for hydrogen generation under sunlight}, journal = {Nanoscale}, volume = {12}, year = {2020}, month = {APR}, pages = {8502-8510}, type = {Article}, abstract = {

Unique N doped Sn3O4 nanosheets have been demonstrated successfully using a facile hydrothermal method. Investigations of the triclinic phase and the impurities were performed using powder X-ray diffraction analysis (XRD) and Raman spectroscopy. The morphological analysis demonstrated a rectangular intra- and inter-connected nanosheet-like structure. The length of the nanosheets was observed to be in the range of 200-300 nm and the thickness of the nanosheets was less than 10 nm. The optical study reveals an extended absorption edge into the visible region, owing to the incorporation of nitrogen into the lattice of Sn3O4, which was further confirmed using X-ray photoelectron spectroscopy (XPS). Considering the band structure in the visible region, the photocatalytic activities of pristine and N doped Sn3O4 nanosheets for hydrogen evolution from water under natural sunlight were investigated. 4\% N-Sn3O4 showed a higher photocatalytic activity (654.33 mu mol(-1) h(-1) 0.1 g(-1)) for hydrogen production that was eight times that of pristine Sn3O4. The enhanced photocatalytic activity is attributed to the inhibition of charge carrier separation owing to the N doping, morphology and crystallinity of the N-Sn3O4 nanostructures. A stable efficiency was observed for three cycles, which clearly shows the stability of N-Sn3O4.

}, issn = {2040-3364}, doi = {10.1039/c9nr10439a}, author = {Balgude, Sagar and Sethi, Yogesh and Gaikwad, Aarti and Kale, Bharat and Amalnerkar, Dinesh and Adhyapak, Parag} } @article {46691, title = {Unraveling the hidden role of the counteranion in {\textquoteleft}{\textquoteleft}cation in a cage{\textquoteright}{\textquoteright} systems}, journal = {Journal of Physical Chemistry A}, volume = {124}, year = {2020}, month = {OCT }, pages = {8040-8049}, type = {Article}, abstract = {

The current work showcases general principles at play in systems consisting of cations present inside molecular cages. Such systems, relevant to chemistry and biology, have been carefully investigated by computational methods. The important Ge(II)-encapsulating cage systems have been studied first. The very fact that such compounds exist appears highly unlikely, given the highly reactive nature of the Ge(II) dication. Our studies reveal what really occurs in solution when such complexes are formed: the Ge(II) dications are actually present as [Ge-X](+) (where X is the {\textquoteleft}{\textquoteleft}non-coordinating{\textquoteright}{\textquoteright} counterion employed in such systems) during entry and subsequent existence at the center of the cage. Hence, what is actually present is a {\textquoteleft}{\textquoteleft}pseudomonocation{\textquoteright}{\textquoteright}. Interestingly, such pseudomonocation-encapsulated cages are seen to be equally relevant in systems of biological importance, such as for dicationic s block-based ionophores. In explaining such cases, the concept of {\textquoteleft}{\textquoteleft}isoionicity{\textquoteright}{\textquoteright} is introduced, demonstrating that the counterion-coordinated dications are isoionic with a monocation, such as Li(I), isolated in the same ionophore.

}, issn = {1089-5639}, doi = {10.1021/acs.jpca.0c06995}, author = {Mukherjee, Anagh and Ghule, Siddharth and Tiwari, Mrityunjay K. and Vanka, Kumar} } @article {46892, title = {Unravelling the distinct surface interactions of modified graphene nanostructures with methylene blue dye through experimental and computational approaches}, journal = {Journal of Hazardous Materials}, volume = {388}, year = {2020}, month = {APR}, pages = {121755}, type = {Article}, abstract = {

Nanoscopic modifications leading to multi-dimensional graphene structures are known to significantly influence their candidature for several applications including catalysis, energy storage, molecular sensing and most significantly adsorption and remediation of harmful materials such as dyes. The present work attempts to identify the key trajectories that connect the structural qualification with a chosen application, viz., the interactive forces in dye remediation. Various physico-chemically Modified Graphene Nanostructures (MGNs) such as 2 dimensional Graphite, Graphene Oxide (GO), reduced GO (rGO), holey rGO, and 3 dimensional GO hydrogel and Holey GO hydrogel are chosen and synthesised herein. These represent varieties of physicochemical features with respect to their dimensionality, surface features such as oxygen functionality, nanoscopic holes etc., that contribute to their characteristic overall surface interactions. Methylene Blue (MB), a popular industrial effluent posing major environmental concern is chosen to be a probe adsorbate in this case study. An exclusive real time in-situ UV visible spectral experiment provides the revealing reasons behind the outstanding performance of 2D GO sheets with an adsorption capacity of greater than 92 \% even at high MB concentrations (\>2000 ppm). A complex dependency of various factors such as surface oxygen, morphology, nanoporosity etc. on the unique overall interaction with an adsorbent such as MB by all these adsorbates is demonstrated using experimental and DFT based computational studies. Electrostatics and hydrogen bonding are understood to be the two dominant forces driving the MB adsorption on the best performing GO here.

}, keywords = {Density functional theory, In-situ UV-vis spectroscopy, Interactions, Methylene blue, Modified Graphene Nanostructures}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2019.121755}, author = {Manappadan, Zinoy and Kumar, Shubham and Joshi, Krati and Govindaraja, Thillai and Krishnamurty, Sailaja and Selvaraj, Kaliaperumal} } @article {46670, title = {Wavelength dependent luminescence decay kinetics in {\textquoteleft}quantum-confined{\textquoteright} g-C(3)N(4)nanosheets exhibiting high photocatalytic efficiency upon plasmonic coupling}, journal = {Journal of Materials Chemistry A}, volume = {8}, year = {2020}, month = {OCT }, pages = {20581-20592}, type = {Article}, abstract = {

Serendipitous observations offer newer insights into materials properties. Here we describe g-C(3)N(4)nanosheets exhibiting remarkably blue-shifted photoluminescence within the 390-580 nm range centred at 425 nm which matches more closely with its {\textquoteleft}quantum-dots{\textquoteright}, and yet is excitation-wavelength independent. Moreover, surprisingly, the luminescence decay becomes increasingly slow at higher emission wavelengths, by up to 10 times. The nanosheets absorb only a fraction of visible-light. To improve this, when we designed a nanocomposite of g-C(3)N(4)and Au nanoparticles (NPs), it retained the PL characteristics and also exhibited excellent light-harvesting and photocatalytic efficiency for benzylamine (BA) oxidation. The surface plasmon resonance of the Au NPs is responsible for the high visible-light response and assisting the reaction by the {\textquoteleft}hot-electron{\textquoteright} injection mechanism, while an uncharacteristic, pronounced co-catalytic effect by them further improves the efficiency. The conversion is 98\% with \>99\% selectivity over 1.5 h of natural sunlight and open-air, probably the highest efficiency for BA photo-oxidation reactions. Even though such a dual role by plasmonic NPs has remained unscrutinized, we argue that the charge-transfer processes for the {\textquoteleft}hot-carrier{\textquoteright} injection and co-catalytic events are well-separated in time due to a much slower photon incident frequency on a catalyst particle, enabling both to occur simultaneously in the same particle.

}, issn = {2050-7488}, doi = {10.1039/d0ta08001b}, author = {Mondal, Sanjit and Sahoo, Lipipuspa and Vaishnav, Yuvraj and Mishra, Samita and Roy, Raj Sekhar and Vinod, C. P. and De, Arijit K. and Gautam, Ujjal K.} } @article {47786, title = {2D MoO2/N-Doped-carbon nanosheets as SERS tweezers: a non-noble metal reusable substrate for selective organic dye detection}, journal = {ACS Applied Nano Materials}, volume = {4}, year = {2021}, month = {NOV}, pages = {11611 - 11624}, type = {Article}, abstract = {The design and synthesis of a highly sensitive and exceptionally selective surface-enhanced Raman scattering (SERS) substrate with an excellent reusable property are of significant interest because of its vast prospective application in actual and complicated detection environments. Here, a simple synthesis strategy was presented to fabricate crystalline two-dimensional (2D) MoO2/N-doped-carbon nanosheets with the plasmonic property. The morphology, crystal phase, and surface property of MoO2 nanomaterials (NMs) were specifically controlled under suitable reaction conditions. In addition, the plasmonic MoO2/N-doped-carbon NM exhibited a SERS maximum enhancement factor up to 1.38 {\texttimes} 104 with a detection limit as low as 1.0 {\texttimes} 10{\textendash}6 M. More importantly, the as-synthesized nanocomposite shows high selectivity as a {\textquotedblleft}SERS Tweezer{\textquotedblright} toward methylene blue (MB) in binary and ternary mixed interfering analyte solutions, preserving detection sensitivity toward MB for three cycles via an {\textquotedblleft}elect-and-eliminate{\textquotedblright} approach. This strategy will be helpful to design other plasmonic semiconductor NMs for successful tangible applications of selective SERS sensing for trace impurity detections in real and complex environments.}, doi = {10.1021/acsanm.1c02151}, url = {https://doi.org/10.1021/acsanm.1c02151}, author = {Gaikwad, Supriya Hanmant and Mukherjee, Shatabdi Porel} } @article {47595, title = {Access to a variety of Ge(II) and Sn(II) compounds through substitution of hypersilyl moiety}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {AUG }, pages = {2651-2657}, type = {Article}, abstract = {We have prepared amidinato-germylene (3) and -stannylene (4) with a tris(trimethylsilyl)silyl substituent and subsequently substituted the hypersilyl moiety by reacting 3 with chlorophosphines, which led to phosphino germylenes (5 and 6) with concomitant liberation of (Me3Si)(3)SiCl. Exploiting the fluoride affinity of the silicon atom, we have prepared pentafluoropyridyl germylene (7) and -stannylene (8) by reacting 3 and 4 with C5F5N with simultaneous elimination of (Me3Si)(3)SiF. These are the first examples of aryl germylenes or stannylenes prepared via C-F bond activation of a perfluoroarene. The reaction of 4 with Me3NO resulted in a novel Sn2O2 ring (9). All compounds were characterized by single-crystal X-ray structure determination studies.}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00306}, author = {Bisai, Milan Kumar and Ajithkumar, V. S. and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47669, title = {Access to enantiomeric organic compounds with potential for synthesis via racemic conglomerates: inositol derivatives as a case in point}, journal = {Crystal Growth \& Design}, volume = {21}, year = {2021}, month = {JUL}, pages = {3786-3797}, type = {Article}, abstract = {The crystal structure database was used to identify inositol derivatives that could be crystallizing as racemic conglomerates. Among the six racemic inositol derivatives identified, racemic 4-O-tosyl-6-O-benzyl-myo-inositol-1,3,5-orthoformate (A) was found to be a true conglomerate and was resolved on the multigram scale by the preferential crystallization technique. This resolution procedure does not require the use of any enantiomeric resolving agent. The resolved enantiomers of A are useful for the synthesis of natural and unnatural enantiomeric derivatives of inositol, since they carry orthogonal hydroxy protecting groups. Racemic 4-O-methanesulfonyl-myo-inositol-1,3,5-orthoformate (B) on crystallization from common organic solvents generally yielded racemic twin crystals, while in the presence of structural analogs as additives, they yielded true racemic crystals. A comparison of the crystal structures of the true racemate, twinned crystal and crystal of one of the enantiomers of B, revealed the reasons for the formation of polymorphic (twin) crystals. Such instances are relatively rarely encountered but nevertheless shed light on our understanding of polymorphism and twinning of crystals.}, issn = {1528-7483}, doi = {10.1021/acs.cgd.1c00126}, author = {Patil, Nivedita T. and Patil, Madhuri T. and Sarkar, Nitai and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article {47635, title = {Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {JUL}, pages = {11927-11936}, type = {Article}, abstract = {We describe the synthesis of new NNN-oxazolinyl-pincer nickel complexes and their application in the transfer hydrogenation of ketones. Achiral NNN-ligands, R {\textquoteleft}(2)-oxazolinyl-2-C6H4-NH-C(O)CH2NEt2 [((R {\textquoteleft} 2-OxNNNEt2))-H; R{\textquoteright} = H (3a), R {\textquoteleft} = Me (3b)], and chiral ligands, (R)-R {\textquoteleft}-oxazolinyl-2-C6H4-NH-C(O)CH2NEt2 [(R)-((R {\textquoteleft}-OxNNNEt2))-H; R {\textquoteleft} = Ph (3c), R {\textquoteleft} = CH2Ph (3d), R {\textquoteleft} = Pr-i (3e), R {\textquoteleft} = (CH2Pr)-Pr-i (3f)], were efficiently synthesized. Treatment of these ligands with (DME)NiCl2 afforded the desired amido-pincer nickel complexes, ((R {\textquoteleft} 2-OxNNNEt2))NiCl [R {\textquoteleft} = H (4a), R {\textquoteleft} = Me (4b)] and ((R {\textquoteleft}-OxNNNEt2))NiCl [R {\textquoteleft} = Ph (4c), R {\textquoteleft} = CH2Ph (4d), R {\textquoteleft} = Pr-i (4e), R {\textquoteleft} = (CH2Pr)-Pr-i (4f)], in good yields. All the ligand precursors and nickel complexes were thoroughly characterized by various analytical techniques. The molecular structures of 4a, 4d and 4f were established by X-ray crystallography. The developed nickel complexes were found to be efficient catalysts for the transfer hydrogenation of ketones using (PrOH)-Pr-i as a viable hydrogen source. Enantioselectivity in hydrogenation was not observed with the developed chiral catalysts.}, issn = {1144-0546}, doi = {10.1039/d1nj01698a}, author = {Jagtap, Rahul A. and Ankade, Shidheshwar B. and Gonnade, Rajesh G. and Punji, Benudhar} } @article {47609, title = {Acid mediated sulfonylation of para-quinone methides with tosylmethyl isocyanides for the synthesis of diarylmethyl sulfones}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {JUL }, pages = {7158-7161}, type = {Article}, abstract = {An efficient, hydrochloric acid promoted reaction for the synthesis of diarylmethyl sulfones has been developed via unprecedented 1, 6-conjugate addition reaction of tosylmethyl isocyanide (TosMIC) with para-quinone methides.This catalyst free reaction provides various diarylmethyl sulfones in good to excellent yields in an operationally simple method under metal free conditions. Further transformations of the productsare also demonstrated.}, keywords = {1, 6-Conjugate addition, aromatization, Diarylmethylsulfone, para-Quinonemethide, TosMIC}, issn = {2365-6549}, doi = {10.1002/slct.202102272}, author = {Kumar, Pawan and Kale, Someshwar B. and Gonnade, Rajesh G. and Das, Utpal} } @article {47686, title = {Active and recyclable gold metal nanoparticles catalyst supported on nitrogen-doped mesoporous carbon for chemoselective hydrogenation of cinnamaldehyde to cinnamyl alcohol}, journal = {Chemistry-An Asian Journal}, volume = {16}, year = {2021}, month = {SEP }, pages = {2702-2722}, type = {Article}, abstract = {Several supported gold metal catalysts with different Au nanoparticles sizes were prepared and evaluated for the chemoselective hydrogenation of cinnamaldehyde (CA) to cinnamyl alcohol (CAL). To investigate the structure-activity relationship, stability of catalyst, heterogeneity and recyclability, the structural characteristics of materials and Au catalysts (fresh and spent catalysts) were studied by employing variety of physico-chemical techniques. The interrelationship among Au nanoparticles size (nm) with turnover frequency (h(-1)) of Au catalysts has also been explored. Among the various Au catalysts tested, nitrogen-doped mesoporous carbon (NMC) supported Au catalyst having homogeneously dispersed (78.8\%) Au nanoparticles (1.6 nm) synthesized by sol-immobilization method (Au-NMC-SI) demonstrated improved catalytic activity affording 78\% CAL selectivity and 94.2\% CA conversion without using any promoter. Moreover, Au-NMC-SI catalyst exhibited good recyclability and stability. The catalyst synthesis approach described in this investigation opens up a novel strategy for the design of highly efficient metal nano-catalysts supported on NMC materials.}, keywords = {Au Nanoparticles, heterogeneous catalysis, Hydrogenation, Nitrogen-doped mesoporous carbon, Support-Metal interaction}, issn = {1861-4728}, doi = {10.1002/asia.202100552}, author = {Nagpure, Atul S. and Gogoi, Pranjal and Chilukuri, Satyanarayana V.} } @article {47578, title = {Active K-OMS-2 supported catalyst for hydrogenolysis of glycerol}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {SEP}, pages = {8700-8708}, type = {Article}, abstract = {Propanediols are very important chemical intermediates, which need to be prepared through commercially viable routes. Cryptomelane type octahedral molecular sieve-2 (K-OMS-2), a cheap and environmentally benign microporous oxide was employed to support Ru and used as a catalyst to get 1,2-propanediol (1,2-PDO) selectively through hydrogenolysis of glycerol. Three catalysts with different Ru content were prepared and evaluated for glycerol hydrogenolysis. Among these, 1 wt.\% Ru-K-OMS-2 showed reasonably good activity towards 1,2-PDO formation under moderate reaction conditions even at lower Ru loading (0.9 wt.\%). When other metals such as Cu and Ni were supported on K-OMS-2, their performance was inferior compared to Ru-supported catalysts. All the catalysts were characterized using various physicochemical techniques like XRD, N-2-sorption, TPD, H-2-TPR, TGA, ICP-OES, FE-SEM and TEM. The enhanced catalytic activity with the 1 wt.\%Ru-K-OMS-2 catalyst was attributed to the better Ru metal dispersion, higher active metal surface area, basic strength, and porosity of the support. The catalyst was found to be recyclable. Analysis of spent catalyst by TEM showed disintegration of Ru nanoparticles to smaller ones, under high H-2 pressure at the reaction temperature. Smaller Ru particles are expected to promote C-C bond cleavage thus suppressing 1,2-PDO formation. Furthermore, a relationship between the TOF value, Ru nanoparticles size, and the basic strength of the catalysts was established, which provides dipper insight into the different catalytic behavior of the catalysts.}, keywords = {Glycerol, Hydrogenolysis, octahedral molecular sieves, Propanediols, selectivity}, issn = {2365-6549}, doi = {10.1002/slct.202101664}, author = {Gogoi, Pranjal and Chilukuri, Satyanarayana and Thirumalaiswamy, Raja} } @article {47078, title = {Aggregation-induced phosphorescence of an anthraquinone based emitter}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {FEB }, pages = {1004-1008}, type = {Article}, abstract = {

Room temperature phosphorescence (RTP) of metal-free organic molecules is a hot topic of current research interest. RTP can be enhanced through aggregation, crystallization, and the support of polymers and host-guest assemblies. The characteristics of highly phosphorescent aggregates formed from conventional chromophores make them ideal candidates for many potential applications. In this direction, we focused on the aggregation-induced phosphorescence of an anthraquinone derivative AqC6 in solution and in crystal state. The weakly emissive dilute solution exhibits a tunable emission with enhanced intensity and room temperature phosphorescence by increasing the concentration and solvent-antisolvent combination. The enhanced phosphorescence of crystals has been recreated in the solution by making use of aggregation. Interestingly, the support of PMMA enabled AqC6 to achieve enhanced processability, phosphorescence lifetime (174 ms) and quantum yield (5\%).

}, issn = {1477-0520}, doi = {10.1039/d0ob02505d}, author = {Goudappagouda and Nidhankar, Aakash D. and Nayak, Rashmi A. and Babu, Sukumaran Santhosh} } @article {47367, title = {Amyloid-beta-derived peptidomimetics inhibits tau aggregation}, journal = {ACS Omega }, volume = {6}, year = {2021}, month = {MAY }, pages = {11131-11138}, type = {Article}, abstract = {

The aggregation of tau protein is one of the hallmarks for Alzheimer{\textquoteright}s disease, resulting in neurodegeneration. The peptidomimetics strategy to prevent tau aggregation is more specific over other small molecules. In the present study, we analyzed the effect of amyloid-beta-derived peptidomimetics for inhibiting heparin-induced tau aggregation in vitro. These peptides and their derivatives were known to prevent aggregation of amyloid-beta. KLVFF is a hydrophobic sequence of the pentapeptide that prevented tau aggregation as observed by thioflavin S fluorescence, transmission electron microscopy, and circular dichroism spectroscopy. P4 and P5 also prevented assembly of tau into aggregates and formed short fibrils. The beta-sheet breaker LPFFD was however ineffective in preventing tau aggregation. The peptides further demonstrated reversal of tau-induced cytotoxicity in a dose-dependent manner. Our results suggested that these peptides can also be used to inhibit tau aggregation and also, toxicity induced by tau could be considered as potential molecules that have an effect on tau as well as amyloid-beta.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b03497}, author = {Gorantla, V. Nalini and Sunny, Lisni P. and Rajasekhar, Kolla and Nagaraju, Pramod G. and Priyadarshini, Poornima C. G. and Govindaraju, Thimmaiah and Chinnathambi, Subashchandrabose} } @article {47581, title = {Antimicrobial and antioxidant potential of a standardized ayurvedic formulation explains its clinical efficacy as gargles in post-radiotherapy oral cancer patients}, journal = {Journal of Herbal Medicine}, volume = {30}, year = {2021}, month = {DEC}, pages = {100510}, type = {Article}, abstract = {Introduction: Exploring the antioxidant and antimicrobial potential of a standardized proprietary poly-herbal powder and evaluating its clinical efficacy as an Ayurvedic gargle (Gandush) for reducing oral microbial load and side effects of radiotherapy in oral cavity cancer patients was the aim of this pilot study. Methods: Formulation (Gandush Churna) comprising Terminalia chebula Retz., Terminalia bellirica (Gaertn.) Roxb., Phyllanthus emblica L. and Curcuma longa L. and its decoction (Gandush Kwath) were standardized. In-vitro antioxidant potential and antimicrobial activity against selective bacterial and fungal strains were studied. Oral cavity cancer patients who had undergone radiotherapy were enrolled. The decoction was prepared by soaking Gandush Churna in water, boiling and reducing by 50 \%; and was used for gargling, twice a day, for 7 days. Total microbial count and identification of microbiota in the oral cavity as well as symptoms graded as per Common Terminology Criteria for Adverse Events, were noted before and after the treatment. Change in microbial load and shift in symptom gradations were analyzed. Results: A monograph with physicochemical, chromatography, safety and stability parameters was developed. The decoction possessed good in-vitro antioxidant and antimicrobial activities. Gargling therapy significantly reduced bacterial load while mildly controlled the fungal infection in oral cavity cancer patients. It significantly reduced the severity of symptoms viz. stomatitis and local pain, with considerably decreased xerostomia and dysphagia. Conclusions: Intervention of gargle therapy using poly-herbal formulation may serve as an effective complementary treatment to improve oral hygiene and reduce side effects of radiotherapy in oral cancer patients.}, keywords = {Anti-microbial, Antioxidant, Gandush, Gargle therapy, Oral cavity cancers, Radiotherapy side effects}, issn = {2210-8033}, doi = {10.1016/j.hermed.2021.100510}, author = {Chavan, Sandeep and Bhuvad, Sushama and Kumbhlakar, Bhagyashri and Auti, Jyoti and Walunj, Tanhaji and Pathak, Shridevi and Tanpure, Rahul and Gujar, Shweta and Shinde, Jagdish and Kulkarni, Arvind and Gupta, Vidya and Deshmukh, Vineeta and Sardeshmukh, Sadanand} } @article {47090, title = {Antimicrobial synergy of silver-platinum nanohybrids with antibiotics}, journal = {Frontiers in Microbiology}, volume = {11}, year = {2021}, month = {FEB }, pages = {610968}, type = {Article}, abstract = {

Various bacterial pathogens are responsible for nosocomial infections resulting in critical pathophysiological conditions, mortality, and morbidity. Most of the bacterial infections are associated with biofilm formation, which is resistant to the available antimicrobial drugs. As a result, novel bactericidal agents need to be fabricated, which can effectively combat the biofilm-associated bacterial infections. Herein, for the first time we report the antimicrobial and antibiofilm properties of silver-platinum nanohybrids (AgPtNHs), silver nanoparticles (AgNPs), and platinum nanoparticles (PtNPs) against Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus. The AgPtNHs were synthesized by a green route using Dioscorea bulbifera tuber extract at 100 degrees C for 5 h. The AgPtNHs ranged in size from 20 to 80 nm, with an average of similar to 59 nm. AgNPs, PtNPs, and AgPtNHs showed a zeta potential of -14.46, -1.09, and -11.39 mV, respectively. High antimicrobial activity was observed against P. aeruginosa and S. aureus and AgPtNHs exhibited potent antimicrobial synergy in combination with antibiotics such as streptomycin, rifampicin, chloramphenicol, novobiocin, and ampicillin up to variable degrees. Interestingly, AgPtNHs could inhibit bacterial biofilm formation significantly. Hence, co-administration of AgPtNHs and antibiotics may serve as a powerful strategy to treat bacterial infections.

}, keywords = {antibiofilm, antimicrobial synergy, biogenic synthesis, Characterization, silver-platinum nanohybrids}, issn = {1664-302X}, doi = {10.3389/fmicb.2020.610968}, author = {Ranpariya, Bansi and Salunke, Gayatri and Karmakar, Srikanta and Babiya, Kaushik and Sutar, Santosh and Kadoo, Narendra and Kumbhakar, Pathik and Ghosh, Sougata} } @article {47362, title = {Antiviral drugs prioritization for COVID-19 management based on rational selection}, journal = {Current Science}, volume = {120}, year = {2021}, month = {MAY }, pages = {1464-1470}, type = {Article}, abstract = {

The SARS-CoV-2 infection has resulted in COVID-19 pandemic worldwide. It has infected around 0.1 billion individuals and caused 2 million fatalities across the globe till mid-January 2021. Drug repurposing has been utilized as the most preferred therapeutic intervention for COVID-19 mitigation due to its necessity and feasibility. To prioritize therapeutic regime against COVID-19, we used 61 antiviral drugs and their combinations. Selected molecules were subjected to virtual screening against: (i) human angiotensin-converting enzyme 2 receptor binding domain (hACE-2) which serves as an anchor for virus attachment and entry, (ii) SARS-CoV-2 RNA dependent RNA polymerase (RdRp) responsible for viral RNA replication, and (iii) SARS-CoV-2 main protease (M-Pro) needed for viral polyprotein slab proteolytic processing. Based on docking score, pharmacodynamic and pharmacokinetic parameters, combinations of Daclatasvir, Elbasvir, Indinavir, Ledipasvir, Paritaprevir and Rilpivirine were analysed further. Our analysis suggested Sofosbuvir in combination with Ledipasvir and Daclatasvir as potential therapeutic agents for SARS-CoV-2. The combined score suggests that these combinations have superior anti-SARS-CoV-2 potential than Remdesivir and other investigational drugs. The present work provides a rationale-based approach to select drugs with possible anti-SARS-CoV-2 activity for further clinical evaluation.

}, keywords = {Drug repurposing, hACE-2, main protease, RNA dependent RNA polymerase, SARS-CoV-2}, issn = {0011-3891}, doi = {10.18520/cs/v120/i9/1464-1470}, author = {Joshi, Rakesh S. and Giri, Ashok P. and Kulkarni, Mahesh J. and Gupta, Mahesh and Verma, Savita and Chaudhry, Dhruva and Deshmukh, Narendra and Chugh, Anita} } @article {47600, title = {Aqueous methanol to formaldehyde and hydrogen on Pd/TiO2 by photocatalysis in direct sunlight: structure dependent activity of nano-Pd and atomic Pt-coated counterparts}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {NOV }, pages = {13347-13360}, type = {Article}, abstract = {In the present investigation, facet-controlled Pd nanoparticles with nanocube (Pd-NC) and truncated octahedron (Pd-TO) morphologies, and their counterparts with half-a-monolayer of atomic Pt coated (0.5 theta(Pt)-Pd-NC and 0.5 theta(Pt)-Pd-TO) surfaces were prepared. All of them were characterized and evaluated as cocatalyst after supporting them on commercial titania (P25) (Pd-NC/P25, Pd-TO/P25, 0.5 theta(Pt)-Pd-NC/P25, and 0.5 theta(Pt)-Pd-TO/P25) under direct sunlight and/or one sun conditions for the oxidation of methanol to formaldehyde along with solar hydrogen production. Pd-NC/P25 shows higher activity for hydrogen generation compared to Pd-TO/P25; however, activity reversal occurs with the above cocatalysts, but, after Pt-coating with further enhanced activity. The highest conversion of methanol (0.2 mu mol/h.mg) to 100\% selective formaldehyde was observed with 0.5 theta(Pt)-Pd-TO/P25, while other catalysts show significantly lower methanol conversion in the following order: 0.5 theta(Pt)-Pd-TO/P25 > 0.5 theta(Pt)-Pd-NC/P25 > Pd-NC/P25 > Pd-TO/P25. Pt-coated on (111) facets of Pd-TO simulates the activity associated as that of Pt(111) facets and demonstrating the highest and facet dependent activity. The present study is truly in resonance with exploiting the surface properties for heterogeneous catalysis, and highlights that less than a monolayer of Pt is sufficient to simulate the activity as that of bulk Pt. It is worth exploring this concept to other metals and substrates too.}, keywords = {heterogeneous catalysis, Nanomaterials, Oxidation, Photocatalysis, surface modification}, issn = {2574-0962}, doi = {10.1021/acsaem.1c03080}, author = {Nalajala, Naresh and Salgaonkar, Kranti N. and Chauhan, Inderjeet and Mekala, Siva Prasad and Gopinath, Chinnakonda S.} } @article {47340, title = {Architecture of NaFe(MoO4)2 as a novel anode material for rechargeable lithium and sodium ion batteries}, journal = {Applied Surface Science}, volume = {559}, year = {2021}, month = {SEP }, pages = {149903}, type = {Article}, abstract = {

In recent decades, particular focus has been given to enhance the capacity of LIBs and SIBs either by developing new materials or by modifying existing materials. Hence, we have demonstrated a new anode material i.e. sodium iron molybdate [NaFe(MoO4)2] for both LIBs and SIBs. NaFe(MoO4)2 has been successfully synthesized by solid-state combustion technique and tested as a promising new anode material for both LIBs and SIBs. A detailed analysis of the crystal structure has been performed using DFT calculations. NaFe(MoO4)2 crystallizes in the monoclinic phase with the space group C2/c (\#15). FESEM also shows highly crystalline monoclinic shaped crystals of micron size. When evaluated as an anode material for LIBs, NaFe(MoO4)2 electrode exhibited electrochemical capacity of 920 mAhg- 1 in the second cycle at the current density of 50 mAg-1. Though capacity decreases on further cycling, the coulombic efficiency was maintained at 99\% for 50 cycles. Significantly, a high discharge capacity of 100 mAhg- 1 was maintained at a very high rate of 1 Ag-1. On the other hand, we have also tested NaFe(MoO4)2 for SIBs which shows excellent reversible specific capacity i.e. 100 mAhg- 1 at the current density of 100 mAg-1 even after 500 cycles. This novel system has shown good stability for LIBs and SIBs which is hitherto unattempted.

}, keywords = {Electrochemical study, lithium-ion battery, Morphology, NaFe(MoO4)2, Sodium-ion battery}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.149903}, author = {Tamboli, Asiya M. and Tamboli, Mohaseen S. and Praveen, C. S. and Dwivedi, Pravin Kumari and Karbhal, Indrapal and Gosavi, Suresh W. and Shelke, V, Manjusha and Kale, Bharat B.} } @article {47438, title = {Autophagy and unique aerial oxygen harvesting properties exhibited by highly photocatalytic carbon quantum dots}, journal = {Carbon}, volume = {181}, year = {2021}, month = {AUG}, pages = {16-27}, type = {Article}, abstract = {

Plastic pollution is a serious threat to the environment as they are not bio-degradable. Herein using waste-polyethylene, we report two inter-related important findings. First that they can be converted economically and completely into highly photocatalytic carbon quantum-dots (CQDs) using H2O2\ as a residue-free oxidant in an acid medium, and they have the ability to enrich a reaction medium with an extraordinary amount of molecular oxygen harvested from the air so that no separate oxygen source is needed while carrying out facile photocatalytic\ oxidation reactions. Second, when they are not performing any photocatalytic reaction, they exhibit self-sensitized photo-oxidation to convert themselves completely to CO2\ in the presence of sunlight, a phenomenon that we term as {\textquoteleft}CQD-autophagy{\textquoteright} by drawing parallels to the death of useless-cells in the body. Such extinction from the reaction media is unique as no other material is known to do so and advantageous because the removal of carbon-dots from a solution is rather inefficient from an industry-viewpoint due to their high solubility. Instead, the inexpensive CQDs can be discarded casually with the notion that they will gradually get eliminated from the environment.

}, keywords = {Carbon dots, Oxygen-enrichment, Photocatalytic oxidation, Self-sensitized photo-oxidation}, issn = {0008-6223}, doi = {10.1016/j.carbon.2021.04.054}, author = {Mondal, Sanjit and Vinod, C. P. and Gautam, Ujjal K.} } @article {47374, title = {Auxin: an emerging regulator of tuber and storage root development}, journal = {Plant Science}, volume = {306}, year = {2021}, month = {MAY}, pages = {110854}, type = {Review}, abstract = {

Many tuber and storage root crops owing to their high nutritional values offer high potential to overcome food security issues. The lack of information regarding molecular mechanisms that govern belowground storage organ development (except a tuber crop, potato) has limited the application of biotechnological strategies for improving storage crop yield. Phytohormones like gibberellin and cytokinin are known to play a crucial role in governing potato tuber development. Another phytohormone, auxin has been shown to induce tuber initiation and growth, and its crosstalk with gibberellin and strigolactone in a belowground modified stem (stolon) contributes to the overall potato tuber yield. In this review, we describe the crucial role of auxin biology in development of potato tubers. Considering the emerging reports from commercially important storage root crops (sweet potato, cassava, carrot, sugar beet and radish), we propose the function of auxin and related gene regulatory network in storage root development. The pattern of auxin content of stolon during various stages of potato tuber formation appears to be consistent with its level in various developmental stages of storage roots. We have also put-forward the potential of three-way interaction between auxin, strigolactone and mycorrhizal fungi in tuber and storage root development. Overall, we propose that auxin gene regulatory network and its crosstalk with other phytohormones in stolons/roots could govern belowground tuber and storage root development.

}, keywords = {Auxin, Potato, Storage root, Sweet potato, Tuber}, issn = {0168-9452}, doi = {10.1016/j.plantsci.2021.110854}, author = {Kondhare, Kirtikumar R. and Patil, Aruna B. and Giri, Ashok P.} } @article {47792, title = {Bibliometric analysis of emerging technologies in the field of computer science helping in ovarian cancer research}, journal = {Library Philosophy and Practice}, year = {2021}, month = {APR}, type = {Article}, abstract = {This study is carried out to provide an analysis of the literature available at the intersection of ovarian cancer and computing. A comprehensive search was conducted using Scopus database for English-language peer-reviewed articles. The study administers chronological, domain clustering and text analysis of the articles under consideration to provide high-level concept map composed of specific words and the connections between them.}, url = {https://digitalcommons.unl.edu/libphilprac/5590/}, author = {Kothari, Dr. Sonali and Gupta, Anvita and Agrawal, Muskaan and Jaggi, Kajal and Goswami, Adhiraj and Kotecha, Ketan and Dr, Karthikeyan and Khedkar, Vijayhsri} } @article {47745, title = {Biological synthesis of alpha-Ag2S composite nanoparticles using the fungus Humicola sp. and its biomedical applications}, journal = {Journal of Drug Delivery Science and Technology}, volume = {66}, year = {2021}, month = {DEC}, pages = {102770}, type = {Article}, abstract = {Synthesis of alpha-Ag2S (silver sulfide) is a highly challenging task, usually attempted using synthetic, hazardous chemical processes. This report puts efforts to exploring microbial-based eco-friendly alternatives. A facile, onepot biological method for the synthesis of alpha-Ag2S composite nanoparticles (NPs) in an aqueous medium at ambient conditions was established. As prepared alpha-Ag2S composite NPs were efficiently produced from precursors silver nitrate and sodium sulfite. The extracellular biomolecules produced by Humicola sp. reduced the precursor solution and at the same time it capped the formed Ag2S NPs. The characterization performed by different techniques revealed excellent optical, morphological, and structural properties (size, shape distribution, and crystallinity) of the alpha-Ag2S NPs. The change in color from colorless to dark brown indicated the formation of alpha-Ag2S, which was further confirmed by fluorescence and UV-Visible spectroscopy, showing a sharp peak at 410 nm. Morphological analysis of alpha-Ag2S NPs confirmed the spherical shape, and narrow size distribution. alpha-Ag2S NPs were found to be potent in antimicrobial applications owing to their high dispersibility in water and capping by extracellular biomolecules secreted by Humicola sp. The anti-cancer activity for alpha-Ag2S performed using human breast cancer cell line (ZR-75-1) and human Burkitt{\textquoteright}s lymphoma cancer (Daudi). The biocompatibility test was performed using human peripheral blood mononuclear cells (PBMCs) for alpha-Ag2S NPs. The anti-leishmania activity was also determined for alpha Ag2S NPs in-vitro using the standard anti-promastigote protocol (Leishmania donovani promastigotes). This extracellular system is an economically and environmentally benign route for the biosynthesis of alpha-Ag2S NPs having desired surface, structure and biomedical properties.}, keywords = {Cytotoxicity, Fungus, Hemolysis, Humicolasp, Silver sulfide(alpha-Ag2S)}, issn = {1773-2247}, doi = {10.1016/j.jddst.2021.102770}, author = {Syed, Asad and Saedi, Marzouq Hussain Al and Bahkali, Ali H. and Elgorban, Abdallah M. and Kharat, Maheshkumar and Pai, Kalpana and Ghodake, Gajanan and Ahmad, Absar} } @article {47434, title = {Biomass-derived activated carbon material from native European deciduous trees as an inexpensive and sustainable energy material for supercapacitor application}, journal = {Journal of Energy Storage}, volume = {34}, year = {2021}, month = {FEB}, pages = {102178}, type = {Article}, abstract = {

Activated carbons are one of the possible electrode materials for supercapacitors (SCs), which are widely used in commercial applications. Herein, we reported the synthesis of a novel activated carbon derived through a cavitation process from the mixture of native European deciduous trees, Birch, Fagaceae, and Carpinus betulus (commonly known as European hornbeam), which was employed as the electrode material in SC. From the morphological and structural characterization, we observed that the prepared sample is a desirable carbon with good porosity and high specific surface area of about 614 m(2) g(-1). The electrochemical properties of the synthesized material were evaluated with a three-electrode configuration in 1.0 M H2SO4 electrolyte. It was found that in device mode, the carbon material delivers a specific capacitance of 24 F g(-1) at 0.25 A g(-1) with excellent cycling stability of over 10000 consecutive charge/discharge cycles. Thus, our studies demonstrate the facile synthesis of biomass-derived carbon and its application as a versatile electrode material for SC applications.

}, keywords = {Biomass, Carbon material, Deciduous trees, Electrode material, supercapacitor}, issn = {2352-152X}, doi = {10.1016/j.est.2020.102178}, author = {Jain, Amrita and Ghosh, Meena and Krajewski, Marcin and Kurungot, Sreekumar and Michalska, Monika} } @article {47048, title = {Boolean model for melanogenesis}, journal = {Physical Biology}, volume = {18}, year = {2021}, month = {MAR}, pages = {026004}, type = {Article}, abstract = {

Melanogenesis is a highly regulated process through which the pigment melanin is produced in skin cells. Irregularities in the molecular events that govern the process of skin pigmentation can cause disorders like vitiligo. In order to understand the biology of disease progression, it is important to have an in depth understanding of intracellular events. Mathematical models provide an integrated view of intracellular signalling. There are very few models to date that incorporate intracellular processes relevant to melanogenesis and only one to our knowledge that simulates the dynamics of response to varying levels of input. Here, we report the formulation of the largest Boolean model (265 nodes) for melanogenesis to date. The model was built on the basis of a detailed interaction network graph published by Raghunath et al. Through additional manual curation of the reported interactions, we converted the graph into a set of Boolean rules, following the procedure of the first Boolean model (62 nodes) for melanogenesis published by Lee et al. Simulations show that the predicted response to varying UV levels for most of the nodes is similar to the predictions of the existing model. The greater complexity allows investigation of the sensitivity of melanin to additional nodes. We carried out perturbation analysis of the network through node deletion and constitutive activation to identify sensitivity of outcomes, and compared the nodes identified as sensitive to previous reports.

}, keywords = {Boolean model, melanogenesis, Signal transduction}, issn = {1478-3967}, doi = {10.1088/1478-3975/abd3dd}, author = {Dnyane, Pooja and Gadgil, Chetan} } @article {47084, title = {Can we identify the salt-cocrystal continuum state using XPS?}, journal = {Crystal Growth \& Design}, volume = {21}, year = {2021}, month = {FEB }, pages = {735-747}, type = {Article}, abstract = {

X-ray photoelectron spectroscopy (XPS) is used to understand the nature of acid-base crystalline solids, to know whether the product is a salt (proton transfer, O-center dot center dot center dot H-N+) or a cocrystal (neutral adduct, O-H center dot center dot center dot N). The present study was carried out to explore if intermediate states of proton transfer from COOH to nitrogen (the proton resides between hydrogen bonded to O and N, O center dot center dot center dot H center dot center dot center dot N, quasi state) can be differentiated from a salt (complete proton transfer, N+-H center dot center dot center dot center dot O-) and cocrystal (no proton transfer, O-H center dot center dot center dot N) using N 1s XPS spectroscopy. The intermediate states of proton transfer arise when the pK(a) difference between the acid and the conjugate base is between -1 and 4, -1 \< Delta pK(a) \< 4, a situation common with COOH and pyridine functional groups present in drug molecules and pharmaceutically acceptable coformers. Complexes of pyridine N bases with aromatic COOH molecules in nine salts/cocrystals were cocrystallized, and their N 1s core binding energies in XPS spectra were measured. The proton state was analyzed by single-crystal X-ray diffraction for confirmation. Three new complexes were crystallized and analyzed by XPS spectra (without knowledge of their X-ray structures), to assess the predictive ability of XPS spectra in differentiating salt-cocrystal intermediate states against the extremities. The XPS results were subsequently confirmed by single-crystal X-ray data. Complexes of 3,5-dinitrobenzoic acid and isonicotinamide in 1:1 and 1:2 ratios exist as a salt and a salt-cocrystal continuum, respectively, as shown by the N 1s core binding energies. The proton states of the crystalline solids by XPS are in good agreement with the corresponding crystal structures. Other complexes, such as those of 3,5-dinitrobenzoic acid with 1,2-bis(4-pyridyl)ethylene, exhibit a salt-cocrystal continuum, maleic acids with 1,2-bis(4-pyridyl)ethylene and acridine are salts, 2-hydroxybenzoic acid and acridine is a salt, and the complex of 3,5-dinitrobenzoic acid and 3-hydroxypyridine is a salt and salt-cocrystal continuum, while fumaric acids with 1,2-bis(4-pyridyl)ethylene and acridine are cocrystals. Furthermore, three new acidbase complexes of 3,5-dinitrobenzoic acid with phenazine, 4-hydroxypyridine, and 4-cyanopyridine were studied initially by XPS and then confirmed by X-ray diffraction. In summary, since the N 1s binding energies cluster in a narrow range as cocrystals (398.7-398.9 eV) and salts (400.1-401.1 eV), it is clearly possible to differentiate between cocrystals and salts, but the saltcocrystal continuum values in XPS spectra are clustered in an intermediate range of cocrystals and salts but overlap with those of cocrystal or salt binding energies.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.0c00661}, author = {Tothadi, Srinu and Shaikh, Tabrez Rafique and Gupta, Sharad and Dandela, Rambabu and Vinod, Chathakudath P. and Nangia, Ashwini K.} } @article {47645, title = {Carbazole substituted amidinato silylene: synthesis, bonding, and coordination behavior with coinage metals}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {SEP}, pages = {3201-3210}, type = {Article}, abstract = {In this work, the synthesis and characterization of a new carbazole substituted amidinatosilylene (1) and its coinage metal complexes 3-8 are being reported. Before the complexation reactions, we prepared [PhC(N+Bu)(2)Si(Cbz)-> Co(CO)Cp] complex (2) to estimate the sigma-donating strength of the newly synthesized silylene 1. Further, several commonly available coinage metal salts were utilized for the complexation reactions with 1, which afforded complexes 3-8. The solid-state structures of 1-8 have been validated by single-crystal X-ray diffraction studies, NMR spectroscopy, and mass spectroscopy. DFT studies were also performed to understand the bonding scenario of 1 and 3-7. Of note, 1 consists of a HOMO on its carbazolide moiety, and the HOMO-1 features the silylene character. We also compared the HOMO-LUMO gap of 1 with other amidinato silylenes having different N-substitutions.}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00399}, author = {Ghosh, Moushakhi and Tothadi, Srinu and Khan, Shabana} } @article {47582, title = {Catalytic applications of hydrotalcite and related materials in multi -component reactions: concepts, challenges and future scope}, journal = {Sustainable Chemistry and Pharmacy}, volume = {22}, year = {2021}, month = {SEP}, pages = {100458}, type = {Article}, abstract = {Hydrotalcites (HTs) are the potential substitute to conventional base catalysts. HTs are useful in efficient syntheses of various heterocycles, such as chromenes, pyrans, pyrazoles, triazoles, using multi-component reactions. This review focuses on the chemistry of HTs and particularly hydrotalcites and related materials in the synthesis of heterocycles. The effects of preparation method and, physico-chemical parameters, such as calcination, molar ratio of metals, role of intercalated ions, surface area, on the catalytic activities are discussed. Along with technical aspects, this review also unlocks various untouched areas in developing sustainable catalyst for syntheses of heterocycles, drugs, etc. for the future.}, keywords = {green chemistry, green synthesis, heterocycles, heterogeneous catalysis, hydrotalcite, Metal Oxide}, doi = {10.1016/j.scp.2021.100458}, author = {Burange, Anand S. and Gopinath, Chinnakonda S.} } @article {47045, title = {Chemistry, anti-diabetic activity and structural analysis of substituted dihydropyrimidine analogues}, journal = {Journal of Molecular Structure}, volume = {1227}, year = {2021}, month = {MAR }, pages = {129412}, type = {Article}, abstract = {

In an effort to identify an anti-diabetic agent, a series of methyl/ethyl 4-(hydroxyphenyl)-6-methyl-2-oxo/thioxo-1,2,3,4 tetrahydropyrimidine-5-carboxylate analogues (4a-h) have been synthesized, purified, and characterized by using Fourier-Transform Infrared Spectroscopy (FT-IR) and NMR (H-1 and C-13). The synthesized compounds were screened for anti-hyperglycemic activity using Streptozotocin (STZ) induced diabetic rat model. The anti-hyperglycemic activity of dihydropyrimidine (DHPM) compound is mainly analyzed with the variation of substituents present on the phenyl ring and urea/thiourea group on pharmacophoric features. Further, the crystal structure and supramolecular characteristics of two compounds 4c and 4f were analyzed through a single-crystal X-ray method and the Hirshfeld Surface Analysis, which shows hydrogen bonding through N-H center dot center dot center dot O and N-H center dot center dot center dot S interactions with the formation of ring motif in the crystal structure. It is interesting to note that among the title compounds, the 4a, 4e, 4f, and 4g significantly displayed a better hypoglycemic effect in vivo rat model study. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Dihydropyrimidine (DHPM), Hypoglycemia, Streptozotocin (STZ), Type-2 diabetes mellitus (T2DM)}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2020.129412}, author = {Bairagi, Keshab M. and Younis, Nancy Safwat and Emeka, Promise Madu and Venugopala, Katharigatta N. and Alwassil, I, Osama and Khalil, Hany Ezzat and Sangtani, Ekta and Gonnade, Rajesh G. and Mohanlall, Viresh and Nayak, Susanta K.} } @article {47373, title = {Chronic systemic exposure to IL6 leads to deregulation of glycolysis and fat accumulation in the zebrafish liver}, journal = {Biochimica ET Biophysica Acta-Molecular and Cell Biology of Lipids}, volume = {1866}, year = {2021}, month = {MAY}, pages = {158905}, type = {Article}, abstract = {

Inflammation is a constant in Non-Alcoholic Fatty Liver Disease (NAFLD), although their relationship is unclear. In a transgenic zebrafish system with chronic systemic overexpression of human IL6 (IL6-OE) we show that inflammation can cause intra-hepatic accumulation of triglycerides. Transcriptomics and proteomics analysis of the IL6-OE liver revealed a deregulation of glycolysis/gluconeogenesis pathway, especially a striking down regulation of the glycolytic enzyme aldolase b. Metabolomics analysis by mass spectrometry showed accumulation of hexose monophosphates and their derivatives, which can act as precursors for triglyceride synthesis. Our results suggest that IL6-driven repression of glycolysis/gluconeogenesis, specifically aldolase b, may be a novel mechanism for fatty liver. This mechanism may be relevant for NAFLD in lean individuals, an emerging class of NAFLD prevalent more in Asian Indian populations.

}, keywords = {Aldolase b, DHAP, Inflammation, Interleukin 6, Lean NAFLD, Non-alcoholic fatty liver}, issn = {1388-1981}, doi = {10.1016/j.bbalip.2021.158905}, author = {Singh, Manoj K. and Jayarajan, Rijith and Varshney, Swati and Upadrasta, Sindhuri and Singh, Archana and Yadav, Rajni and Scaria, Vinod and Sengupta, Shantanu and Shanmugam, Dhanasekaran and Shalimar and Sivasubbu, Sridhar and Gandotra, Sheetal and Sachidanandan, Chetana} } @article {47590, title = {Cloning and expression of antibody fragment (Fab) I: effect of expression construct and induction strategies on light and heavy chain gene expression}, journal = {Biochemical Engineering Journal}, volume = {176}, year = {2021}, month = {DEC}, pages = {108189}, type = {Article}, abstract = {Dual promoter expression constructs offer time and cost-effective alternatives to produce multi-domain proteins like antibody fragments. This investigation is focused on understanding the effect of expression construct (dual promoter vs. co-transformation strategy), codon optimization, and induction strategies on yield and expression stoichiometry of LC and HC genes of antibody fragment at shake-flask and bioreactor scale. rHu biosimilar Ranibizumab was selected as a model protein for the study. Expression stoichiometry of HC and LC gene at mRNA level was studied using RTqPCR, whereas protein expression level was studied quantitatively using RP-HPLC and SDS-PAGE analysis. In the case of dual promoter expression construct, it was observed that LC gene cloned in the MCS1 of the duet vectors has > 2-fold expression than the HC gene, cloned in the MCS2. Transcript abundance profile of the HC and LC genes determined at different time intervals post-induction shows a difference in the gene expression at the transcriptional level. Comparative analysis of dual promoter and co-transformation strategy shows better stoichiometry in co-transformation (1:1.3), whereas higher protein yield in a dual expression system (>2.4 fold). The use of lactose and galactose as inducers show higher Fab yield of 2.30 +/- 0.03 g/L and 2.81 +/- 0.06 g/L with expression stoichiometry of 1:1.9 and 1:2 (HC: LC) respectively than IPTG-based induction with a protein yield of 1.40 +/- 0.02 g/L.}, keywords = {Dual promoter vector, Expression stoichiometry, High cell density fermentation, rHu biosimilar Ranibizumab, Transcript abundance}, issn = {1369-703X}, doi = {10.1016/j.bej.2021.108189}, author = {Mehta, Deepa and Chirmade, Tejas and Tungekar, Aatir A. and Gani, Kayanat and Bhambure, Rahul} } @article {47081, title = {Cold active lipases: biocatalytic tools for greener technology}, journal = {Applied Biochemistry and Biotechnology}, volume = {193}, year = {2021}, month = {JUL}, pages = {2245-2266}, type = {Review}, abstract = {

Lipases are enzymes that catalyze the ester bond hydrolysis in triglycerides with the release of fatty acids, mono- and diglycerides, and glycerol. The microbial lipases account for \$400 million market size in 2017 and it is expected to reach \$590 million by 2023. Many biotechnological processes are expedited at high temperatures and hence much research is dealt with thermostable enzymes. Cold active lipases are now gaining importance in the detergent, synthesis of chiral intermediates and frail/fragile compounds, and food and pharmaceutical industries. In addition, they consume less energy since they are active at low temperatures. These cold active lipases have not been commercially exploited so far compared to mesophilic and thermophilc lipases. Cold active lipases are distributed in microbes found at low temperatures. Only a few microbes were studied for the production of these enzymes. These cold-adapted enzymes show increased flexibility of their structures in response to freezing effect of the cold habitats. This review presents an update on cold-active lipases from microbial sources along with some structural features justifying high enzyme activity at low temperature. In addition, recent achievements on their use in various industries will also be discussed.

}, keywords = {Cold active lipases, Frail compounds, Psychrophilic microbes, Synthesis of chiral molecules}, issn = {0273-2289}, doi = {10.1007/s12010-021-03516-w, Early Access Date = FEB 2021}, author = {Mhetras, Nutan and Mapare, Vidhyashri and Gokhale, Digambar} } @article {47608, title = {Computational insights into the role of external and local electric fields in macrocyclic chemical and biological systems}, journal = {ChemPhysChem}, volume = {22}, year = {2021}, month = {DEC}, pages = {2484-2492}, type = {Article}, abstract = {The investigation of the role of the electric field in systems of widespread interest employing computational techniques is an emerging area of research. The outcome of applying an oriented external electric field (OEEF) on the geometric and electronic properties of the chemically unique pi-conjugated cyclic carbon ring compounds has been explored with density functional theory (DFT). Distinct changes in the structural and electronic features of such ring compounds are observed upon the application of OEEFs. Importantly, the calculations indicate that a mixed aliphatic-aromatic conjugated ring converts from a singlet to a triplet after the application of an OEEF, suggesting potential applications in optoelectronics for such molecules, without the need for photochemically induced change in the spin state. Furthermore, the influence of built-in local electric fields (LEFs) present in naturally occurring macrocyclic systems such as valinomycin has also been explored. Static and ab initio molecular dynamics (AIMD) calculations indicate that LEFs are the primary driving factor in determining the energetically favoured position of counter anions such as chloride (Cl-) in the potassium (K+) and sodium (Na+) coordinated valinomycin macrocycle structures: they exist inside the cage in the case of K+ sequestration by valinomycin and outside for Na+. This divergence has been proposed to be the determining factor for the selectivity of the valinomycin macrocycle for binding a K+ cation over Na+.}, keywords = {counter anions, Density functional calculations, electric field, ion selectivity, macrocyclic systems}, issn = {1439-4235}, doi = {10.1002/cphc.202100581}, author = {Mukherjee, Anagh and Ghule, Siddharth and Vanka, Kumar} } @article {47631, title = {Construction of two-component chemically reactive supramolecular assemblies-acyl migration reactions in cocrystals of napthalene-2,3-diol and its diesters}, journal = {ChemPlusChem}, volume = {86}, year = {2021}, month = {AUG}, pages = {1128-1134}, type = {Article}, abstract = {Reactions in solids are of contemporary interest due to applications in pharmaceutical industries to environmental sustainability. Although several reactive crystals that support chemical reactions have been identified and characterized, the same cannot be said about reactive cocrystals. Earlier we correlated the facile acyl group transfer reactions in crystals with supramolecular parameters obtained from the crystal structures. The structure-reactivity correlation revealed the requirement of proper juxtaposition of electrophile (C=O) and the nucleophile (OH) with distance (similar to 3.2 angstrom) and angle (similar to 90 degrees) along the chain structure. The current article describes the preparation of cocrystals that are capable of supporting intermolecular acyl group transfer reactions in a group of structurally similar molecules. The cocrystals of naphthalene 2,3-diol and its corresponding diesters showed a facile solid state acyl transfer reaction, which has been well correlated with their crystal structures.}, keywords = {Acylation, domino reactions, intermolecular interactions, reaction in cocrystal, solid-state reactions, X-ray diffraction}, issn = {2192-6506}, doi = {10.1002/cplu.202100139}, author = {Bahadur, Vir and Gonnade, Rajesh G. and Tamboli, I. Majid and Krishnaswamy, Shobhana and Shashidhar, Mysore S.} } @article {47739, title = {Continuous citrate-capped gold nanoparticle synthesis in a two-phase flow reactor}, journal = {Journal of Flow Chemistry}, volume = {11}, year = {2021}, month = {SEP}, pages = {553-567}, type = {Article}, abstract = {A continuous manufacturing platform was developed for the synthesis of aqueous colloidal 10-20 nm gold nanoparticles (Au NPs) in a flow reactor using chloroauric acid, sodium citrate and citric acid at 95 degrees C and 2.3 bar(a) pressure. The use of a twophase flow system - using heptane as the continuous phase - prevented fouling on the reactor walls, while improving the residence time distribution. Continuous syntheses for up to 2 h demonstrated its potential application for continuous manufacturing, while live quality control was established using online UV-Vis photospectrometry that monitored the particle size and process yield. The synthesis was stable and reproducible over time for gold precursor concentration above 0.23 mM (after mixing), resulting in average particle size between 12 and 15 nm. A hydrophobic membrane separator provided successful separation of the aqueous and organic phases and collection of colloidal Au NPs in flow. Process yield increased at higher inlet flow rates (from 70\% to almost 100 \%), due to lower residence time of the colloidal solution in the separator resulting in less fouling in the PTFE membrane. This study addresses the challenges for the translation of the synthesis from batch to flow and provides tools for the development of a continuous manufacturing platform for gold nanoparticles.}, keywords = {Continuous manufacturing, Nanomaterials, Online analysis, phase separation, segmented flow}, issn = {2062-249X}, doi = {10.1007/s41981-021-00172-3}, author = {Damilos, Spyridon and Alissandratos, Ioannis and Panariello, Luca and Radhakrishnan, Anand N. P. and Cao, Enhong and Wu, Gaowei and Besenhard, Maximilian O. and Kulkarni, Amol A. and Makatsoris, Charalampos and Gavriilidis, Asterios} } @article {47039, title = {Controlled di-lithiation enabled synthesis of phosphine-sulfonamide ligands and implications in ethylene oligomerization}, journal = {Dalton Transactions}, volume = {50}, year = {2021}, month = {MAR }, pages = {3717-3723}, type = {Article}, abstract = {

Catalyst design for ethylene oligomerization has attracted significant interest. Herein, we report the synthesis of phosphine-sulfonamide-derived palladium complexes and examine their performance in ethylene oligomerization. Arresting a dilithiation intermediate of N-(2-bromophenyl)-4-methylbenzenesulfonamide (1) at -84 degrees C selectively produced N-(2-(bis(2-methoxyphenyl)phosphanyl)phenyl)-4-methylbenzenesulfonamide (L1A). However, the same reaction at -41 degrees C delivered a different ligand; 2-(bis(2-methoxyphenyl)phosphanyl)-4-methyl-N-phenylbenzenesulfonamide (L2A). The generality of our strategy has been demonstrated by preparing N-(2-(diphenylphosphanyl)phenyl)-4-methylbenzenesulfonamide (L1B) and 2-(diphenylphosphanyl)-4-methyl-N-phenylbenzenesulfonamide (L2B). Subsequently, L1A and L1B were treated with a palladium precursor to yield 5-membered complexes C1 and C2, respectively. In contrast, L2A upon treatment with palladium produced a 6-membered metal complex C3. Thus, a small library of 7 palladium complexes (C1-C7) were synthesized by varying the donor moiety (pyridine, DMSO, and acetonitrile). The identity of palladium complexes was unambiguously ascertained using a combination of spectroscopic and analytical methods, including single-crystal X-ray diffraction. The performance of the complexes C1-C7 was investigated in ethylene oligomerization and almost all of them were found to be active. The resultant ethylene oligomers were characterized using H-1 and C-13 NMR, MALDI-ToF-MS, and GPC. Detailed screening of reaction parameters revealed 100 degrees C and 40 bars ethylene to be optimal conditions. Complex C5 outperformed other complexes and produced ethylene oligomers with a molecular weight of 1000-1900 g mol(-1).

}, issn = {1477-9226}, doi = {10.1039/d1dt00093d}, author = {Mote, Nilesh R. and Gaikwad, Shahaji R. and Khopade, V, Kishor and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {46603, title = {Controlling draw resonance during extrusion film casting of nanoclay filled linear low-density polyethylene: an experimental study and numerical linear stability analysis}, journal = {Journal of Plastic Film \& Sheeting}, volume = {37}, year = {2021}, month = {JUL}, pages = {8756087920978443}, type = {Article}, abstract = {

Commercially important extrusion film casting (EFC) processes for manufacturing plastic films or sheets are hampered by several instabilities that severely limits their productivity. In this research we focussed on one important instability: the draw resonance that occurs during the EFC process mainly under extensional flow conditions. Draw resonance is the sustained periodic oscillations in the film dimensions, notably film width and thickness, when the process operates beyond a critical draw ratio (CDR). In this research our goal was to reduce this draw resonance instability by incorporating well dispersed nanoclay fillers in a base polymeric resin (such as a linear low density polyethylene - LLDPE) to determine how these nanocomposite (NC) formulations can prevent or reduce the draw resonance defect. EFC experiments were conducted on the base resin and on the NC formulations under non-isothermal conditions to determine the onset of the draw resonance experimentally. Conventional linear stability analysis was performed to determine the onset of the draw resonance defect numerically. Numerical predictions for the onset of draw resonance were in qualitative agreement with our experimental data. Our results showed that incorporating appropriate nanoclay concentrations in a base polymeric resin indeed enhanced the EFC process stability for those polymer formulations and thus can have important economic implications for processors.

}, keywords = {Draw resonance, extensional strain hardening, Extrusion, Film, hydrodynamic interactions, Nanoclay, Nanocomposites, Polyethylene, Rheology, stability}, issn = {8756-0879}, doi = {10.1177/8756087920978443}, author = {Rokade, Dhammaraj and Chougale, Sanket and Patil, Prashant and Bhattacharjee, Tanushree and Gawande, Dnyaneshwar and Pol, Harshawardhan and Dhadwal, Renu} } @article {47734, title = {Copolymers of bipyridinium and metal (Zn \& Ni) porphyrin derivatives; theoretical insights and electrochemical activity towards CO2}, journal = {RSC Advances}, volume = {11}, year = {2021}, month = {JUN}, pages = {19844-19855}, type = {Article}, abstract = {This study reports the electropolymerization of novel keto functionalized octaethyl metal porphyrins (Zn2+ and Ni2+) in the presence of 4,4 {\textquoteleft}-bipyridine (4,4 {\textquoteleft}-bpy) as a bridging nucleophile. The polymer films were characterized by electrochemical, spectroscopic (UV-Vis, XPS, FT-IR and Raman spectroscopy) and imaging (AFM and SEM) techniques. The absorption and electronic spectra confirm the presence of both porphyrin and 4,4 {\textquoteleft}-bipyridine units in the film. The surface morphology reveals homogeneous film deposition with average roughness values of approx. 8 nm. The theoretical studies performed offered insights into the interplay of different metal centres (Zn2+ and Ni2+) and the keto functionality of the porphyrin unit in the formation of copolymer films. The electrochemical interaction of polymer films with CO2 suggests a reversible trap and release of CO2 with low energy barriers for both the polymers.}, doi = {10.1039/d1ra01945g}, author = {Kochrekar, Sachin and Kalekar, Ajit and Mehta, Shweta and Damlin, Pia and Salomaki, Mikko and Granroth, Sari and Meltola, Niko and Joshi, Kavita and Kvarnstrom, Carita} } @article {47667, title = {Crystal structure analysis of highly efficient chiral resolution of (RS)-arginine-fumaric acid cocrystal under preferential enrichment conditions}, journal = {Journal of Molecular Structure}, volume = {1245}, year = {2021}, month = {DEC }, pages = {131073}, type = {Article}, abstract = {Two new hydrate cocrystals, (RS)-arginine-fumaric acid-H2O ( 2 ) and (S)-arginine-2 fumaric acid-H2O ( 3 ), were obtained by the slow evaporation of the saturated aqueous ethanol solution of a 1:1 mixture of S-enriched arginine (33\% ee) and fumaric acid or (S)-arginine and fumaric acid, respectively. Cocrystals 2 and 3 possess an isostructural molecular organization containing homochiral 1D chains of arginine sim-ilar to that of the anhydrous cocrystal of (RS)-arginine-fumaric acid ( 1 ). The latter showed an efficient {\textquoteleft}{\textquoteleft}preferential enrichment (PE){\textquoteright}{\textquoteright}, a unique spontaneous enantiomeric resolution phenomenon by simple recrystallization from the highly supersaturated solution. The formation of unstable cocrystals 2 and 3 seems to have played a crucial role in the enrichment of arginine in the mother liquor under PE crystal-lization conditions. (c) 2021 Elsevier B.V. All rights reserved.}, keywords = {Arginine, cocrystals, crystal structure, Enantiomeric resolution, preferential enrichment}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2021.131073}, author = {Manoj, Kochunnoonny and Takahashi, Hiroki and Iwama, Sekai and Gonnade, G. Rajesh and Tsue, Hirohito and Tamura, Rui} } @article {47746, title = {CuO as a reactive and reusable reagent for the hydrogenation of nitroarenes}, journal = {Applied Catalysis B-Environmental}, volume = {297}, year = {2021}, month = {NOV}, pages = {120417}, type = {Article}, abstract = {{Copper oxide (CuO) is used as a reusable solid reagent for hydrogenation of nitroarenes to aminoarenes. The use of CuO resulted in 100 \% conversion of 2.9 mmol of nitrobenzene to aniline in 45 s at room temperature using hydrazine hydrate as the reducing agent. During the reaction, CuO is converted to inactive metallic Cu which can be regenerated to active CuO by thermal oxidation. DFT simulations indicated facile formation of oxygen vacancies (EO}, keywords = {Copper vacancy, CuO, Hydrogenation, Nitroarene reduction, Oxygen defects, Reactive solids}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2021.120417}, author = {Rajendran, K. and Pandurangan, N. and Vinod, C. P. and Khan, Tuhin S. and Gupta, Shelaka and Haider, M. Ali and Jagadeesan, D.} } @article {47421, title = {Curious case of aqueous warfarin: structural isomers or distinct excited states?}, journal = {Journal of Physical Chemistry B}, volume = {125}, year = {2021}, month = {MAR}, pages = {2871-2878}, type = {Article}, abstract = {

Warfarin is a potent anti-coagulant drug and is on the World Health Organization{\textquoteright}s List of Essential Medicines. Additionally, it displays fluorescence enhancement upon binding to human serum albumin, making warfarin a prototype fluorescent probe in biology. Despite its biological significance, the current structural assignment of warfarin in aqueous solution is based on indirect evidence in organic solvents. Warfarin is known to exist in different isomeric forms-open-chain, hemiketal, and anionic forms-based on the solvent and pH. Moreover, warfarin displays a dual absorption feature in several solvents, which has been employed to study the ring-chain isomerism between its open-chain and hemiketal isomers. In this study, our pH-dependent experiments on warfarin and structurally constrained warfarin derivatives in aqueous solution demonstrate that the structural assignment of warfarin solely on the basis of its absorption spectrum is erroneous. Using a combination of steady-state and time-resolved spectroscopic experiments, along with quantum chemical calculations, we assign the observed dual absorption to two distinct pi -\>pi* transitions in the 4-hydroxycoumarin moiety of warfarin. Furthermore, we unambiguously identify the isomeric form of warfarin that binds to human serum albumin in aqueous buffer.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c10824}, author = {Sakpal, Sushil S. and Ghosh, Deborin and Manae, Meghna A. and Hazra, Anirban and Bagchi, Sayan} } @article {47087, title = {Design and synthesis of a new topical agent for halting blood loss rapidly: a multimodal chitosan-gelatin xerogel composite loaded with silica nanoparticles and calcium}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {198}, year = {2021}, month = {FEB}, pages = {111454}, type = {Article}, abstract = {

Uncontrolled hemorrhage often causes death during traumatic injuries and halting exsanguination topically is a challenge. Here, an efficient multimodal topical hemostat was developed by (i) ionically crosslinking chitosan and gelatin with sodium tripolyphosphate for (ii) fabricating a robust, highly porous xerogel by lyophilization having 86.7 \% porosity, by micro-CT and large pores similar to 30 mu m by SEM (iii) incorporating 0.5 mg synthesized silica nanoparticles (SiNPs, 120 nm size, -22 mV charge) and 2.5 mM calcium in xemgel composite that was confirmed by FTIR analysis with peaks at 3372, 986 and 788 cm(-1), respectively. XPS analysis displayed the presence of SiNPs (Si2p peak for silicon) and calcium (Ca2p1, Ca2p3 transition peaks) in the composite. Interestingly, in silico percolation simulation for composite revealed interlinked 800 mu m long-conduits predicting excellent absorption capacity and validated experimentally (640 \% of composite dry weight). The composite achieved \>16-fold improved blood clotting in vitro than commercial Celox and Gauze through multimodal interaction of its components with RBCs and platelets. The composite displayed good platelet activation and thrombin generation activities. It displayed high compressive strength (2.45 MPa) and withstood pressure during application. Moreover, xerogel composite showed high biocompatibility. In vivo application of xerogel composite to lethal femoral artery injury in rats achieved hemostasis (2.5 min) significantly faster than commercial Celox (3.3 min) and Gauze (4.6 min) and was easily removed from the wound. The gamma irradiated composite was stable till 1.5 yr. Therefore, the xerogel composite has potential for application as a rapid topical hemostatic agent.

}, keywords = {Hemostatic, Polymer, silica nanoparticles, Xerogel}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2020.111454}, author = {Patil, Gokul and Torris, Arun and Suresha, P. R. and Jadhav, Sachin and Badiger, V. Manohar and Ghormade, Vandana} } @article {47576, title = {Development of enhanced hypericin yielding transgenic plants and somaclones: high throughput direct organogenesis from leaf and callus explants of Hypericum perforatum (Retraction of Vol 111, Pg 544, 2018)}, journal = {Industrial Crops and Products}, volume = {171}, year = {2021}, month = {NOV }, pages = {113863}, type = {Retraction}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2021.113863}, author = {Khan, A. Shamshad and Verma, Priyanka and Arbat, Akshata and Gaikwad, Sushma and Parasharami, A. Varsha} } @article {47097, title = {Divergent approach to the synthesis of (-)-balanol heterocycle and cis-3-hydroxypipecolic acid based on chiral 2-aminoalkanol equivalent}, journal = {Tetrahedron}, volume = {80}, year = {2021}, month = {JAN}, pages = {131773}, type = {Article}, abstract = {

Enantioselective synthesis of the hexahydroazepine core of (-)-balanol and formal synthesis of cis-3hydroxypipecolic acid from a common intermediate have been accomplished by a divergent path. The common intermediate was accessed from a favorably protected enantiomerically pure 2-amino-1,3,4-butanetriol (ABT) equivalent via oxidation and Wittig olefination. The synthesis of (-)-balanol heterocycle featured tandem reduction/acetal-deprotection/gamma-lactonization reaction and a one-pot azide reduction followed by seven membered aza-heterocycle formation while the route to cis-3-hydroxypipecolic acid highlighted the base induced piperidine ring formation and regioselective benzylidine-acetal cleavage. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {Amino-alcohol, desymmetrization, Hexahydroazepine, Piperidine alkaloids, Protein kinase}, issn = {0040-4020}, doi = {10.1016/j.tet.2020.131773}, author = {Chavan, Subhash P. and Kalbhor, Dinesh B. and Gonnade, Rajesh G.} } @article {47499, title = {Diversity in chemical structures and biological properties of plant alkaloids}, journal = {Molecules}, volume = {26}, year = {2021}, month = {JUN}, pages = {3374}, type = {Review}, abstract = {Phytochemicals belonging to the group of alkaloids are signature specialized metabolites endowed with countless biological activities. Plants are armored with these naturally produced nitrogenous compounds to combat numerous challenging environmental stress conditions. Traditional and modern healthcare systems have harnessed the potential of these organic compounds for the treatment of many ailments. Various chemical entities (functional groups) attached to the central moiety are responsible for their diverse range of biological properties. The development of the characterization of these plant metabolites and the enzymes involved in their biosynthesis is of an utmost priority to deliver enhanced advantages in terms of biological properties and productivity. Further, the incorporation of whole/partial metabolic pathways in the heterologous system and/or the overexpression of biosynthetic steps in homologous systems have both become alternative and lucrative methods over chemical synthesis in recent times. Moreover, in-depth research on alkaloid biosynthetic pathways has revealed numerous chemical modifications that occur during alkaloidal conversions. These chemical reactions involve glycosylation, acylation, reduction, oxidation, and methylation steps, and they are usually responsible for conferring the biological activities possessed by alkaloids. In this review, we aim to discuss the alkaloidal group of plant specialized metabolites and their brief classification covering major categories. We also emphasize the diversity in the basic structures of plant alkaloids arising through enzymatically catalyzed structural modifications in certain plant species, as well as their emerging diverse biological activities. The role of alkaloids in plant defense and their mechanisms of action are also briefly discussed. Moreover, the commercial utilization of plant alkaloids in the marketplace displaying various applications has been enumerated.}, keywords = {alkaloid, Biological activity, classification, defense, Enzyme, modification}, doi = {10.3390/molecules26113374}, author = {Bhambhani, Sweta and Kondhare, Kirtikumar R. and Giri, Ashok P.} } @article {47066, title = {Durable metalloporphyrin 2D-polymer for photocatalytic hydrogen and oxygen evolution from river and sea waters}, journal = {ChemCatChem}, volume = {13}, year = {2021}, month = {APR}, pages = {1717-1721}, type = {Article}, abstract = {

It is highly imaginary that the outcome of a combination of two complementary resources leads to answer an alarming global issue. One such possible example is the solar seawater splitting for {\textquoteleft}clean fuel{\textquoteright} H-2 generation. Since the catalytic activity and stability of the photocatalysts are substantially challenged in seawater, the design of an efficient and stable photocatalyst is highly desirable. Herein, we demonstrate the solar seawater splitting by a two-dimensional polymer catalyst derived from metalloporphyrin bearing multi-hydroxyl groups. A bimetallic (Co and Ni) porphyrin 2D-polymer exhibits excellent long-term durability of 15 cycles of H-2 and O-2 generation in 200 days from pure water without a considerable decrease in efficiency. Detailed studies using river and seawaters also show the reliable performance of the catalyst over repeated cycles. Here the deactivation modes of catalytic activity have been nullified by the layered metalloporphyrin polymer structure through stable pi-pi stacking, signifying the molecular design of 2D-polymer photocatalyst.

}, keywords = {2D-polymer, Photocatalyst, porphyrin, Self-assembly, water splitting}, issn = {1867-3880}, doi = {10.1002/cctc.202002039, Early Access Date = FEB 2021}, author = {Ranjeesh, Kayaramkodath Chandran and George, Leena and Maibam, Ashakiran and Krishnamurty, Sailaja and Babu, Sukumaran Santhosh} } @article {47352, title = {Effect of CaCl2 and ZnCl2 salts on isobaric vapor-liquid equilibrium in separation of the azeotropic mixture of ethanol plus water}, journal = {Fluid Phase Equilibria}, volume = {537}, year = {2021}, month = {JUN }, pages = {113000}, type = {Article}, abstract = {

Present work analyzes potential of calcium chloride (CaCl2) and zinc chloride (ZaCl(2)) salts as entrainer for breaking the minimum boiling azeotrope of ethanol and water. Isobaric vapor-liquid equilibrium (VLE) data for the binary systems of water + ethanol and ternary system of water + ethanol + calcium chloride, and water + ethanol + zinc chloride were measured at a constant pressure of 94.5 kPa. The effect of salts on the relative volatility of ethanol to water as well as on the vapor phase mole fractions of ethanol were also studied experimentally. From the experimental results, it is observed that with addition of salts, the azeotropic point of the ethanol and water system can be eliminated. Salting out effects in case of calcium chloride was more than that zinc chloride salt. The results obtained in this work showed that calcium chloride could be a better choice for separation of the water + ethanol azeotrope. Electrolyte nonrandom two-liquid (eNRTL) model was used to correlate the experimental VLE data. The model prediction with the regressed parameters was found in well agreement with the experimental data. The experimental data obtained in this work was found thermodynamically consistent using van Ness test. (C) 2021 Elsevier B.V. All rights reserved.

}, keywords = {Azeotrope, eNRTL, Ethanol, salts, Vapor-liquid equilibrium, Water}, issn = {0378-3812}, doi = {10.1016/j.fluid.2021.113000}, author = {Ghuge, Pravin D. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {47071, title = {Effect of rice husk particle size on ZSM-5 physico-chemical properties for selective formation of 1,3,5-trimethyl-2-benzylbenzene (Pharmaceutical Intermediate)}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {FEB }, pages = {1255-1262}, type = {Article}, abstract = {

Rice husk, rich in silica and abundantly available as waste, is presently destroyed by burning, which creates environmental issues. Thus, it will be advantageous if this rice husk waste can be used for preparation of valuable products. One of the application is its use as silica source in the synthesis of zeolites like ZSM-5, which are silico-aluminates. Rice husk waste is available in wide range of particle sizes in agricultural farms. There is no study available in open literature on use of these wide particle ranges for its direct application. This paper is an attempt to use wide particle size rice husk, its effect on ZSM-5 synthesis and its physico-chemical properties. Further these prepared ZSM-5 catalyst was evaluated for benzylation of mesitylene reaction. The study found that, rice husk of 600 mu m particle size is optimum as far as ZSM-5 synthesis, its physicochemical properties and further its application in mesitylene benzylation reaction.

}, keywords = {Mesitylene, Particle size, rice husk, Silica Source, ZSM-5}, issn = {2365-6549}, doi = {10.1002/slct.202004802}, author = {Ghuge, Gorakh and Niphadkar, Prashant and Rathod, Simmy and Bokade, Vijay V.} } @article {47800, title = {Effectors of root-knot nematodes: an arsenal for successful parasitism}, journal = {Frontiers in Plant Science}, volume = {12}, year = {2021}, month = {DEC}, type = {Review Article}, abstract = {Root-knot nematodes (RKNs) are notorious plant-parasitic nematodes first recorded in 1855 in cucumber plants. They are microscopic, obligate endoparasites that cause severe losses in agriculture and horticulture. They evade plant immunity, hijack the plant cell cycle, and metabolism to modify healthy cells into giant cells (GCs) {\textendash} RKN feeding sites. RKNs secrete various effector molecules which suppress the plant defence and tamper with plant cellular and molecular biology. These effectors originate mainly from sub-ventral and dorsal oesophageal glands. Recently, a few non-oesophageal gland secreted effectors have been discovered. Effectors are essential for the entry of RKNs in plants, subsequently formation and maintenance of the GCs during the parasitism. In the past two decades, advanced genomic and post-genomic techniques identified many effectors, out of which only a few are well characterized. In this review, we provide molecular and functional details of RKN effectors secreted during parasitism. We list the known effectors and pinpoint their molecular functions. Moreover, we attempt to provide a comprehensive insight into RKN effectors concerning their implications on overall plant and nematode biology. Since effectors are the primary and prime molecular weapons of RKNs to invade the plant, it is imperative to understand their intriguing and complex functions to design counter-strategies against RKN infection.}, issn = {1664-462X}, doi = {10.3389/fpls.2021.800030}, author = {Jagdale, Shounak and Rao, Uma and Giri, Ashok P.} } @article {47417, title = {Efficient metal-free organic room temperature phosphors}, journal = {Chemical Science}, volume = {12}, year = {2021}, month = {MAR}, pages = {4216-4236}, type = {Review}, abstract = {

An innovative transformation of organic luminescent materials in recent years has realised the exciting research area of ultralong room-temperature phosphorescence. Here the credit for the advancements goes to the rational design of new organic phosphors. The continuous effort in the area has yielded wide varieties of metal-free organic systems capable of extending the lifetime to several seconds under ambient conditions with high quantum yield and attractive afterglow properties. The various strategies adopted in the past decade to manipulate the fate of triplet excitons suggest a bright future for this class of materials. To analyze the underlying processes in detail, we have chosen high performing organic triplet emitters that utilized the best possible ways to achieve a lifetime above one second along with impressive quantum yield and afterglow properties. Such a case study describing different classes of metal-free organic phosphors and strategies adopted for the efficient management of triplet excitons will stimulate the development of better candidates for futuristic applications. This Perspective discusses the phosphorescence features of single- and multi-component crystalline assemblies, host-guest assemblies, polymers, and polymer-based systems under various classes of molecules. The various applications of the organic phosphors, along with future perspectives, are also highlighted.

}, issn = {2041-6520}, doi = {10.1039/d1sc00446h}, author = {Nidhankar, Aakash D. and Goudappagouda and Wakchaure, Vivek C. and Babu, Sukumaran Santhosh} } @article {47589, title = {Electronically integrated mesoporous Ag-TiO2 nanocomposite thin films for efficient solar hydrogen production in direct sunlight}, journal = {Energy Technology}, volume = {10}, year = {2021}, month = {AUG}, pages = {2100356}, type = {Article}, abstract = {

The synthesis of mesoporous TiO2 by a solution-based assembly process and Ag/TiO2 nanocomposites is provided. The efficacy of Ag/TiO2 nanocomposite as photocatalyst in thin-film form is demonstrated for solar hydrogen generation in sunlight. Integration of Ag with TiO2 dramatically enhanced the H-2 production: with 1 wt\% Ag on TiO2 (TiAg-1), the H-2 yield was observed to be 4.59 mmol h(-1) g(-1), which is 2.3 (30) times larger than 0.5 wt\% Ag on TiO2. TiAg-1 shows 4.3 times higher activity in film form compared with its powder counterpart. High photocatalytic efficiency is attributed to the surface plasmon resonance effect of Ag, electronic integration of Ag with TiO2, and subsequent valence band broadening, large distribution of Ag nanoparticles and abundant Ag-TiO2 Schottky junctions, and the later minimizes electron-hole recombination. Interparticle mesoporous network increases necking and the high surface area offers easy accessibility of the reactants to a large number of active sites.

}, keywords = {heterogeneous catalysis, heterojunctions, plasmon effect, Silver, solar energy conversion, Solar hydrogen}, issn = {2194-4288}, doi = {10.1002/ente.202100356}, author = {Mani, Sunesh S. and Rajendran, Sivaraj and Nalajala, Naresh and Mathew, Thomas and Gopinath, Chinnakonda S.} } @article {47736, title = {Elucidating the effect of CaF2 on structure, biocompatibility and antibacterial properties of S53P4 glass (vol 831, 154704, 2020)}, journal = {Journal of Alloys and Compounds}, volume = {883}, year = {2021}, month = {NOV}, pages = {161253}, type = {Correction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.161253}, author = {Prasad, Sakthi and Ganisetti, Sudheer and Jana, Anuradha and Kant, Shashi and Sinha, P. K. and Tripathy, Sucheta and Illath, Kavya and Ajithkumar, T. G. and Annapurna, K. and Allu, Amarnath R. and Biswas, Kaushik} } @article {47626, title = {Enantioselective synthesis of 5,6-dihydroindolizines by N-heterocyclic carbene (NHC)-catalyzed core-structure-inspired strategy of azolium-enolate cascade}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {JUL }, pages = {5223-5228}, type = {Article}, abstract = {The core-structure motivated design has allowed the enantioselective synthesis of 5,6-dihydroindolizines via N-heterocyclic carbene (NHC) catalysis. The NHC-catalyzed reaction of alpha,beta-unsaturated aldehydes with the suitably substituted pyrrole derivatives proceed via the initial generation of alpha,beta-unsaturated acylazoliums from enals, and enolates from pyrroles and the reaction culminated in an efficient cascade process involving the Michael-aldol-lactonization-decarboxylation sequence to afford the products in reasonable yields and high selectivities. The method is further extended to the construction of spirocyclic 5,6-dihydroindolizines.}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c01761}, author = {Ghosh, Arghya and Shee, Sayan and Barik, Shilpa and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {47135, title = {Energy and life cycle impact assessment for xylitol production from corncob}, journal = {Journal of Cleaner Production}, volume = {278}, year = {2021}, month = {JAN }, pages = {123217}, type = {Article}, abstract = {

The conversion of biobased feedstocks into energy and value-added chemicals is one main approach to address the current global challenge for waste mitigation through the biorefinery mode. Corncob biomass which is one of the most abundant agricultural residue in India with a high hemicellulose content, can serve as a potential low-cost raw material for food-grade xylitol production. The present study demonstrates a process for xylitol production from corncob biomass with detailed energy and life cycle analysis for viability assessment. The major highlight of the process is the use of microbial fermentation, where biomass-derived D-xylose is converted to xylitol with high selectivity. Overall, 0.502 kg of xylitol crystals could be produced from 3.5 kg of corncob biomass. Simulation analysis revealed that the evaporators are the primary consumers of energy, and the process of heat integration can significantly reduce the energy requirements of the overall process. Environmental impacts of the system evaluated showed emission results of 8.68 kg CO2 equivalent and revealed that marine aquatic and freshwater eco-toxicity are the only possible contributors to the environment. The results suggest that the process would have favourable energy balances, which can be used in pilot plant and heat exchanger network design and operation for xylitol production scale up to 500 L. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {biomass valorization, Life cycle impact assessment, simulation, xylitol}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2020.123217}, author = {Dasgupta, Diptarka and Sidana, Arushdeep and Ghosh, Prasenjit and Sharma, Tripti and Singh, Jasvinder and Prabhune, Asmita and More, Snehal and Bhaskar, Thallada and Ghosh, Debashish} } @article {47115, title = {Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {JAN }, pages = {227-237}, type = {Article}, abstract = {

Cocrystallization is a rational selection crystal engineering approach for the development of novel solid forms with enhanced physicochemical and mechanical properties. Nicorandil (NCR) is a niacinamide vitamin derivative used to treat angina pectoris. A binary solid form screen of NCR with homologous dicarboxylic acids afforded NCR-oxalic acid (NCR-OA, 1:1), NCR-fumaric acid (NCR-FA, 1:1), NCR-succinic acid (NCR-SA, 1:1), and NCR-suberic acid (NCR-SBA, 1:0.5). The binary solids were characterized by powder X-ray diffraction, IR and NMR spectroscopy, and DSC. NCR-FA and NCR-SBA were crystallized by slow evaporation from chloroform and toluene solvents, respectively. Single crystal X-ray diffraction confirmed that NCR-FA is a molecular salt, while NCR-SBA is a neutral cocrystal. NCR and the FA anion are connected via the robust carbovlate-pyridinium synthon, whereas in the NCR-SBA cocrystal, the components associate via the carboxylic acid- -pyridine synthon. The phase stability, solubility, dissolution rate, diffusion rate and tabletability studies have demonstrated that the binary solids exhibit improved physical and mechanical properties compared to the NCR drug. Specifically, the NCR-FA salt and NCR-SBA cocrystal have higher solubility, dissolution rate, and hardness at lower pressures, making the formulation suitable for tablet compression.

}, issn = {1466-8033}, doi = {10.1039/d0ce01316a}, author = {Mannava, M. K. Chaitanya and Gunnam, Anilkumar and Lodagekar, Anurag and Shastri, Nalini R. and Nangia, Ashwini K. and Solomon, K. Anand} } @article {47617, title = {Evaluation of biocompatibility of synthesized low molecular weight PLGA copolymers using zinc L-proline through green route for biomedical application}, journal = {Polymers for Advanced Technologies}, volume = {32}, year = {2021}, month = {NOV}, pages = {4502-4515}, type = {Article}, abstract = {Poly(lactide-co-glycolide) (PLGA) copolymers were synthesized by ring opening polymerization in presence of zinc proline and stannous octoate in bulk through green route and were designated as PLGA-1 and PLGA-2 respectively. These copolymers were characterized using NMR, SEC, DSC, X-ray and MALDI-TOF analysis. For the first time, the low molecular weight of PLGA (similar to 11,000 Da) was mainly targeted to explore acute oral toxicity in the presence of zinc L-proline and stannous octoate. The haemolysis and cell viability assay were carried out for in-vitro cytotoxicity assessment. Haemolysis assay of PLGA-2 was confirmed and haemolytic potential exceeded limit of American society of testing of material standard. The cell viability study using fibroblast cell lines (NIH3T3), exhibited statistically significant difference in results between PLGA-1 and PLGA-2. The acute toxicity study was performed in Balb/c mice for biomarker, hematological and histopathological analysis. No mortality was observed during the entire observation period, and no macroscopic change of the organs was observed in PLGA-1 treated group where PLGA-2 treated group showed sign of toxicity. The results obtained from in-vitro and in-vivo studies suggested that PLGA-2 was toxic whereas PLGA-1 was nontoxic in nature. Therefore, PLGA-1 can be regarded as biocompatible biomaterials for potential for drug delivery and biomedical application.}, keywords = {OECD-420, poly (lactide-co-glycolide), ring opening polymerization, Stannous octoate, zinc L-Proline}, issn = {1042-7147}, doi = {10.1002/pat.5452}, author = {Giram, Prabhanjan S. and Garnaik, Baijayantimala} } @article {47501, title = {Excimer to exciplex transition through realization of donor-acceptor interactions in luminescent solvent-free liquids}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {JUN}, pages = {10780-10784}, type = {Article}, abstract = {Luminescent solvent-free organic liquids are known for their enhanced quantum yield, color tunability, and availability of a matrix for other dopants to generate hybrid luminescent materials with improved features for newer applications. Herein, we report a donor-acceptor based luminescent {\textquoteleft}{\textquoteleft}exciplex liquid{\textquoteright}{\textquoteright} by utilizing the slightly different electron affinity of the acceptor molecules. A red-shifted broad exciplex emission exhibited by the donor-acceptor pair even at a lower concentration of the acceptor (0.001 equiv.) indicates high efficiency in the solvent-free state. A detailed NMR study revealed weak intermolecular interactions between the donor and acceptor in the solvent-free matrix that stabilizes the exciplex liquid. The failure of structurally similar solid counterparts to form an exciplex confirms the advantage of the available supportive liquid matrix. Besides, the luminescent exciplex liquid is found efficient in sensing application, which is unachievable by either the individual liquids or their solid counterparts. Here, a transition of a donor-acceptor pair from a solid to solvent-free liquid results in a new hybrid liquid that can be an alternative for solid sensor materials.}, issn = {2040-3364}, doi = {10.1039/d1nr02190g, Early Access Date = MAY 2021}, author = {Wakchaure, Vivek Chandrakant and Goudappagouda and Das, Tamal and Ravindranathan, Sapna and Babu, Sukumaran Santhosh} } @article {47028, title = {Facile transfer of excited electrons in Au/SnS2 nanosheets for efficient solar-driven selective organic transformations}, journal = {Applied Catalysis B-Environmental}, volume = {286}, year = {2021}, month = {JUN }, pages = {119927}, type = {Article}, abstract = {

Solar driven aerial oxidation processes have gained importance in organic transformations leading to the development of many nanocrystalline photocatalysts. Although such nanomaterials have many potential advantages, they often underperform due to poor visible light absorption and rapid recombination of excitons. Incorporation of plasmonic nanoparticles (NPs) on the catalyst surfaces can extend their response to visible light and improve photocatalytic efficiency by the {\textquoteleft}hot-electron{\textquoteright} injection mechanism. Nanostructures of SnS2 too absorb a part of the visible light to induce many photocatalytic reactions, though their ability to perform the selective and controlled organic transformations has not yet been observed. Herein, we demonstrate the first example of such transformation with the oxidative coupling of various benzylamine (BA) derivatives to imines under ambient conditions using SnS2 nanosheets (NSs). The reaction rate improves manifold and shows similar to 98 \% conversion (\>99 \% selectivity) in 2 h under direct sunlight and open-air when the NSs were decorated with 1.5 wt\% Au NPs on (Au/SnS2), making it one of the best catalysts for this reaction. We found that the large enhancement in activity upon Au loading is accompanied by a noticeable change in photo-induced charge accumulation behaviour in Au/SnS2 from the usual {\textquoteleft}{\textquoteleft}spike and overshoot{\textquoteright}{\textquoteright} one and contributed by facile transfer of excited electrons across the Au-SnS2 heterojunction in which Au NPs act as both sources and sinks for the photo-excited electrons. Finally, a detailed mechanism of the oxidation reaction has been proposed.

}, keywords = {Benzylamine oxidation, Hot-electron injection, Plasmonic nanoparticle, SnS2 nanosheet, Solar energy harvesting}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2021.119927}, author = {Mondal, Sanjit and Sahoo, Lipipuspa and Vinod, C. P. and Gautam, Ujjal K.} } @article {47747, title = { Flexible energy harvester from an organic ferroelectric ammonium salt}, journal = {Chemistry-An Asian Journal}, volume = {16}, year = {2021}, month = {DEC }, pages = {4122-4129}, type = {Article}, abstract = {Organic ferroelectrics due to their low cost, easy preparation, light weight, high flexibility and phase stability are gaining tremendous attention in the field of portable electronics. In this work, we report the synthesis, structure and ferroelectric behavior of a two-component ammonium salt 2, containing a bulky [Bn(4-BrBn)NMe2](+) (Bn=benzyl and 4-BrBn=4-bromobenzyl) cation and tetrahedral (BF4)(-) anion. The structural analysis revealed the presence of rich non-classical C-H...F and C-H...Br interactions in this molecule that were quantified by Hirshfeld surface analysis. The polarization (P) vs. electric field (E) hysteresis loop measurements on 2 gave a remnant polarization (P-r) of 14.4 mu C cm(-2) at room temperature. Flexible polymer composites with various (5, 10, 15 and 20) weight percentages (wt\%) of 2 in thermoplastic polyurethane (TPU) were prepared and tested for mechanical energy harvesting applications. A notable peak-to-peak output voltage of 20 V, maximum current density of 1.1 mu A cm(-2) and power density of 21.1 mu W cm(-2) were recorded for the 15 wt\% 2-TPU composite device. Furthermore, the voltage output generated from this device was utilized to rapidly charge a 100 mu F capacitor, with stored energies and measured charges of 156 mu J and 121.6 mu C, respectively.}, keywords = {Dielectric, energy harvesting, ferroelectricity, organic composites, piezoelectric}, issn = {1861-4728}, doi = {10.1002/asia.202101128}, author = {Gupta, Rishabh and Sahoo, Supriya and Deswal, Swati and Kothavade, Premkumar and Dixit, Prashant and Zareba, Jan K. and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {47694, title = {FnCas9-based CRISPR diagnostic for rapid and accurate detection of major SARS-CoV-2 variants on a paper strip}, journal = {eLife}, volume = {10}, year = {2021}, month = {JUN }, pages = {e67130}, type = {Article}, abstract = {The COVID-19 pandemic originating in the Wuhan province of China in late 2019 has impacted global health, causing increased mortality among elderly patients and individuals with comorbid conditions. During the passage of the virus through affected populations, it has undergone mutations, some of which have recently been linked with increased viral load and prognostic complexities. Several of these variants are point mutations that are difficult to diagnose using the gold standard quantitative real-time PCR (qRT-PCR) method and necessitates widespread sequencing which is expensive, has long turn-around times, and requires high viral load for calling mutations accurately. Here, we repurpose the high specificity of Francisella novicida Cas9 (FnCas9) to identify mismatches in the target for developing a lateral flow assay that can be successfully adapted for the simultaneous detection of SARS-CoV-2 infection as well as for detecting point mutations in the sequence of the virus obtained from patient samples. We report the detection of the S gene mutation N501Y (present across multiple variant lineages of SARS-CoV-2) within an hour using lateral flow paper strip chemistry. The results were corroborated using deep sequencing on multiple wild-type (n = 37) and mutant (n = 22) virus infected patient samples with a sensitivity of 87\% and specificity of 97\%. The design principle can be rapidly adapted for other mutations (as shown also for E484K and T716I) highlighting the advantages of quick optimization and roll-out of CRISPR diagnostics (CRISPRDx) for disease surveillance even beyond COVID-19. This study was funded by Council for Scientific and Industrial Research, India.}, issn = {2050-084X}, doi = {10.7554/eLife.67130}, author = {Kumar, Manoj and Gulati, Sneha and Ansari, Asgar H. and Phutela, Rhythm and Acharya, Sundaram and Azhar, Mohd and Murthy, Jayaram and Kathpalia, Poorti and Kanakan, Akshay and Maurya, Ranjeet and Vasudevan, Janani Srinivasa and Aparna, S. and Pandey, Rajesh and Maiti, Souvik and Chakraborty, Debojyoti} } @article {47664, title = {Formal synthesis of (-)-quinagolide: diastereoselective ring expansion via a bicyclic aziridinium ion strategy to access the octahydrobenzo[g]quinoline architecture}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {JUL }, pages = {9344-9352}, type = {Article}, abstract = {The diastereoselective formal synthesis of (-)-quinagolide, a D-2 receptor agonist, has been achieved. The synthesis started from L-pyroglutamic acid and relied on utilization of (a) a stereospecific catalytic hydrogenation and diastereoselective Horner-Emmons-Michael cascade to obtain functionalized prolinate, (b) a Lewis acid mediated Pummerer cyclization to construct a tricyclic fused ring system, and (c) a diastereoselective ring expansion via a bicyclic aziridinium intermediate to access the required 3-substituted piperidine scaffold.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c00603}, author = {Chavan, Subhash P. and Kawale, Sanket A. and Pisal, Mahesh M. and Kadam, Appasaheb L. and Gonnade, Rajesh G.} } @article {47347, title = {Functional insights into two Ocimum kilimandscharicum 4-coumarate-CoA ligases involved in phenylpropanoid biosynthesis}, journal = {International Journal of Biological Macromolecules}, volume = {181}, year = {2021}, month = {JUN }, pages = {202-210}, type = {Article}, abstract = {

Plant 4-coumarate-CoA ligase (4CL) catalyzes the ligation of CoA to cinnamic acid and its derivatives. Activated CoA esters are utilized for the biosynthesis of phenolic metabolites and lignin that play essential function in plants. Here, we characterize the diversity of Ocimum kilimandscharicum 4CLs (Ok4CLs). Phylogenetic analysis suggest that Ok4CLs could be grouped into three classes, class I -enzymes mostly involved in lignin biosynthesis, class II -non-structural phenylpropanoid biosynthesis and class III -yet to be characterized for specific role(s). We selected two Ok4CLs namely Ok4CL7 and Ok4CL15 for further characterization. Gene expression analysis sug-gested that Ok4CL7 is highly expressed in leaf trichomes, whereas Ok4CL15 is abundant in the roots. The recom-binant Ok4CL7 and Ok4CL15 had optimal enzyme activities at 40 degrees C in pH 8 and 7, respectively. Ok4CL7 showed substrate preference towards p-coumaric acid, ferulic acid and caffeic acid. While, Ok4CL15 preferredp-coumaric acid, ferulic acid and sinapic acid. Feruloyl adenylate showed higher number of contacts and lowers binding en-ergy with Ok4CL7 and 15 compared to cinnamoyl adenylate. Based on root-specific expression and preference for sinapic acid, Ok4CL15 might be involved in lignin biosynthesis. Further exploration is needed to unravel the role of diverse Ok4CLs in O. kilimandscharicum. (c) 2021 Elsevier B.V. All rights reserved.

}, keywords = {4-Coumarate-CoA ligase, Flavonoids, lignin, Ocimum kilimandscharicum, Phenylpropanoids}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2021.03.129}, author = {Lavhale, Santosh G. and Joshi, Rakesh S. and Kumar, Yashwant and Giri, Ashok P.} } @article {47697, title = {Genome wide analysis of 14-3-3 proteins in Cicer arietinum L. and identification of isoforms responsive to Fusarium oxysporum}, journal = {Current Science}, volume = {121}, year = {2021}, month = {OCT }, pages = {1039-1045}, type = {Article}, abstract = {In the present study, we have identified and characterized two 14-3-3 isoforms, namely isoform A and C from chickpea (Cicer arietinum L.), that might play a crucial role during disease resistance. Further, in silico analysis of these 14-3-3 proteins was accomplished, including motif identification and structure prediction from deduced amino acid sequences. Expression profiling of the two representative 14-3-3 isoforms in the roots of wilt resistant and susceptible chickpea varieties upon Fusarium oxysporum f. sp ciceri race 1 (FOC1) challenge, revealed time dependent isoform specific differential expression in induced chickpea roots upon FOC1 colonization.}, keywords = {Bioinformatics, chickpea 14-3-3s, pathogen responsive, transcriptional analysis}, issn = {0011-3891}, doi = {10.18520/cs/v121/i8/1039-1045}, author = {Gurjar, Gayatri and Nimbalkar, Suhas and Giri, Ashok and Gupta, Vidya} } @article {46917, title = {Gibberellic acid induces unique molecular responses in {\textquoteleft}thompson seedless{\textquoteright} grapes as revealed by non-targeted metabolomics}, journal = {Journal of Plant Growth Regulation}, volume = {40}, year = {2021}, month = {FEB}, pages = {293-304}, type = {Article}, abstract = {

Compact clusters and small berry size are the major problems associated with the commercialization of table grapes. The application of gibberellic acid 3 (GA(3)) has been a long-followed practice to overcome these issues. To analyze the molecular response of {\textquoteleft}Thompson Seedless{\textquoteright} grapes to GA(3) treatment, we investigated the metabolomes of its rachises, clusters, and berries, 6 h and 24 h after the treatment. Metabolite profiling using non-targeted metabolomics approach revealed several metabolites, including arginine, proline, tyrosine, kaempferol, resveratrol, catechin, and so on as possible biomarkers of GA(3) treatment in grapes. GA(3) treatment greatly impacted the alanine, aspartate, and glutamate metabolism pathways, and the GA(3)-mediated alterations in the levels of certain plant growth regulators and primary metabolites were in accordance with important growth and developmental processes in grapes. This study highlights the effect of GA(3) on the profiles of certain polyphenols impacting the flavone and flavonol biosynthesis pathways and hence the nutritional aspect of grapes. The results of this study would be useful to develop self-elongating varieties simplifying the grape cultivation.

}, keywords = {Biosynthetic pathways, GA(3) response, GA(3) signaling, Sultana grapes, Untargeted metabolomics}, issn = {0721-7595}, doi = {10.1007/s00344-020-10102-7, Early Access Date = MAR 2020}, author = {Jadhav, Uma and Mundhe, Swapnil and Kumar, Yashwant and Jogaiah, Satisha and Upadhyay, Anuradha and Gupta, Vidya S. and Kadoo, Narendra Y.} } @article {47802, title = {Gibberellic acid induces unique molecular responses in {\textquoteleft}thompson seedless{\textquoteright} grapes as revealed by non-targeted metabolomics}, journal = {Journal of Plant Growth Regulation}, volume = {40}, year = {2021}, month = {FEB}, pages = {293 - 304}, type = {Article}, abstract = {Compact clusters and small berry size are the major problems associated with the commercialization of table grapes. The application of gibberellic acid 3 (GA3) has been a long-followed practice to overcome these issues. To analyze the molecular response of {\textquoteleft}Thompson Seedless{\textquoteright} grapes to GA3 treatment, we investigated the metabolomes of its rachises, clusters, and berries, 6~h and 24~h after the treatment. Metabolite profiling using non-targeted metabolomics approach revealed several metabolites, including arginine, proline, tyrosine, kaempferol, resveratrol, catechin, and so on as possible biomarkers of GA3 treatment in grapes. GA3 treatment greatly impacted the alanine, aspartate, and glutamate metabolism pathways, and the GA3-mediated alterations in the levels of certain plant growth regulators and primary metabolites were in accordance with important growth and developmental processes in grapes. This study highlights the effect of GA3 on the profiles of certain polyphenols impacting the flavone and flavonol biosynthesis pathways and hence the nutritional aspect of grapes. The results of this study would be useful to develop self-elongating varieties simplifying the grape cultivation.}, isbn = {1435-8107}, doi = {10.1007/s00344-020-10102-7}, author = {Jadhav, Uma and Mundhe, Swapnil and Kumar, Yashwant and Jogaiah, Satisha and Upadhyay, Anuradha and Gupta, Vidya S. and Kadoo, Narendra Y.} } @article {47653, title = {Glycerol-triazole conjugated rhodamine as colorimetric and fluorimetric sensor for Cu2+}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {SEP}, pages = {9288-9292}, type = {Article}, abstract = {{A glycerol-triazole tethered rhodamine based colorimetric and fluorimetric sensor 3 {\textquoteleft},6 {\textquoteleft}-bis(diethylamino)-2-(((1-(1,3-dihydroxypropan-2-yl)-1H-1,2,3-triazol-4 -yl)methylene)aminospiro [isoindoline-1,9 {\textquoteleft}-xanthen]-3-one (L1) is designed and synthesized for the selective recognition of Cu2+ ion. The sensor L1 allows naked eye detection of Cu2+ ion with a fast response (<1 min). Among the various metal ions tested, the sensor L1 shows selective binding with Cu2+ through turn-on fluorescence mechanism. The sensor shows 1 : 2 binding stoichiometry with binding constant}, keywords = {Cu2+ Sensor, DFT, Glycerol, Rhodamine B, Triazole}, issn = {2365-6549}, doi = {10.1002/slct.202102145}, author = {Verma, Abhishek and Gahlyan, Parveen and Bawa, Rashim and Dash, Soumya Ranjan and Prasad, Ashok K. and Kumar, Rakesh} } @article {47440, title = {Green route for carbonylation of amines by CO2 using Sn-Ni-O bifunctional catalyst and theoretical study for finding best suited active sites}, journal = {Chemical Engineering Journal }, volume = {419}, year = {2021}, month = {SEP}, pages = {129439}, type = {Article}, abstract = {

Reaction between n-alkylamine and CO2\ has gained interest due to the demand for the dialkylurea for various applications. For the first time, the tool\ Mathematica\ was used to analyze the experimental data with an idea to derive an equation which determines the best suited active sites for any given input set of dependent parameters. The equation can further be used to predict the product yield with the known values of active sites for a reaction. Among several Sn containing mixed oxides, Sn-Ni oxide (Sn-Ni-O) was found to be the better performing catalyst. The studies indicate that the formation of new defect sites when NiO and SnO2\ are in the mixed state and possibly a solid solution enhances the catalytic efficiency. There are two main reasons for improved catalytic performance; one, mixing of SnO2\ into NiO which reduces the number of holes (h+) localized on lattice oxygen (O2-+ h+{\textrightarrow} O{\textbullet}-) and two, smaller SnO2\ particles are dispersed on the bigger particle NiO which alters the acidic and basic active sites in the catalyst. FT-IR adsorption study with amine and CO2\ helped in deriving a plausible mechanism for this reaction. Under optimized reaction condition, Sn1.1-Ni-O-600 gave 77.3\% of n-butylamine conversion and 75.7\% of yield for 1,3-dibutylurea. The versatility of the catalyst was tested for carbonylation of different aliphatic and aromatic amines, diamine and hydroxy amine with CO2.

}, keywords = {amines, CO2, Mixed oxide catalyst and bi-functional catalyst, Substituted urea}, issn = {1385-8947}, doi = {10.1016/j.cej.2021.129439}, author = {Kulal, Nagendra and Vetrivel, Rajappan and Gopinath, Chinnakonda S. and Ravindran, Rahul K. and Rao, Vinod N. and Shetty, Manjunath and Shrikanth, R. and Rangappa, Dinesh and Shanbhag, Ganapati V.} } @article {47077, title = {Green synthesis of methoxy-poly(ethylene glycol)-block-poly(l-lactide-co-glycolide) copolymer using zinc proline as a biocompatible initiator for irinotecan delivery to colon cancer in vivo}, journal = {Biomaterials Science}, volume = {9}, year = {2021}, month = {FEB}, pages = {795-806}, type = {Article}, abstract = {

Poly(lactic-co-glycolic acid) (PLGA) is the most commonly described biocompatible copolymer used in biomedical applications. In this work, a green synthetic approach based on the biocompatible zinc proline complex, as an initiator for PLGA synthesis, is reported for the first time for the synthesis of methoxy-poly(ethylene glycol)-block-poly(l-lactic-co-glycolic acid) (mPEG-PLGA). mPEG-PLGA with controlled molecular weight and narrow polydispersity was synthesised. Its potential for delivery of irinotecan (Ir), a poorly water-soluble chemotherapeutic drug used for the treatment of colon and pancreatic cancer, was studied. Nanoparticles of controlled size (140-160 nm), surface charge (similar to-10 mV), release properties and cytotoxicity against CT-26 (colon) and BxPC-3 (pancreatic) cancer cells, were prepared. Tumor accumulation was confirmed by optical imaging of fluorescently labelled nanoparticles. Unlike Tween (R) 80 coated NP-Ir, the Pluronic (R) F-127 coated NP-Ir exhibits significant tumor growth delay compared to untreated and blank formulation treated groups in the CT-26 subcutaneous tumor model, after 4 treatments of 30 mg irinotecan per kg dose. Overall, this proof-of-concept study demonstrates that the newly synthesized copolymer, via a green route, is proven to be nontoxic, requires fewer purification steps and has potential applications in drug delivery.

}, issn = {2047-4830}, doi = {10.1039/d0bm01421d}, author = {Giram, Prabhanjan S. and Wang, Julie Tzu-Wen and Walters, Adam A. and Rade, Priyanka P. and Akhtar, Muhammad and Han, Shunping and Faruqu, Farid N. and Abdel-Bar, Hend M. and Garnaik, Baijayantimala and Al-Jamal, Khuloud T.} } @article {47413, title = {Green synthesis of xanthene and acridine-based heterocycles of pharmaceutical importance: a review}, journal = {Environmental Chemistry Letters}, year = {2021}, month = {MAR}, type = {Review; Early Access}, abstract = {

Xanthene and acridine-based heterocyclic compounds find applications in cancer chemotherapy, biological staining and laser dyes and are known for their antibacterial and anti-tumor properties. Here we review green catalytic routes for the synthesis of 1,8-dioxo-octahydroxanthenes, 1,8-dioxo-decahydroacridines and related heterocyclic molecules with catalysts such as metal oxides, mixed metal oxides, resins, supported organocatalysts, heteropolyacids, carbon-based materials, zeolites, sulfides and ionic liquids. We compare protocols for their catalytic activities, and proposed mechanisms are discussed.

}, keywords = {green chemistry, heterocycles, heterogeneous catalysis, Metal oxides, nanocatalysis}, issn = {1610-3653}, doi = {10.1007/s10311-021-01223-w, Early Access Date = MAR 2021}, author = {Burange, Anand S. and Gadam, Komal G. and Tugaonkar, Prajyot S. and Thakur, Seema D. and Soni, Ravish K. and Khan, Rubej R. and Tai, Mubashira S. and Gopinath, Chinnakonda S.} } @article {47630, title = {Heterogeneous C-H functionalization in water via porous covalent organic framework nanofilms: a case of catalytic sphere transmutation}, journal = {Journal of the American Chemical Society}, volume = {143}, year = {2021}, month = {JUN }, pages = {8426-8436}, type = {Article}, abstract = {Heterogeneous catalysis in water has not been explored beyond certain advantages such as recyclability and recovery of the catalysts from the reaction medium. Moreover, poor yield, extremely low selectivity, and active catalytic site deactivation further underrate the heterogeneous catalysis in water. Considering these facts, we have designed and synthesized solution-dispersible porous covalent organic framework (COF) nanospheres. We have used their distinctive morphology and dispersibility to functionalize unactivated C-H bonds of alkanes heterogeneously with high catalytic yield (42-99\%) and enhanced regioand stereoselectivity (3 degrees:2 degrees = 105:1 for adamantane). Further, the fabrication of catalyst-immobilized COF nanofilms via covalent self-assembly of catalytic COF nanospheres for the first time has become the key toward converting the catalytically inactive homogeneous catalysts into active and effective heterogeneous catalysts operating in water. This unique covalent self-assembly occurs through the protrusion of the fibers at the interface of two nanospheres, transmuting the catalytic spheres into films without any leaching of catalyst molecules. The catalyst-immobilized porous COF nanofilms{\textquoteright} chemical functionality and hydrophobic environment stabilize the high-valent transient active oxoiron(V) intermediate in water and restricts the active catalytic site{\textquoteright}s deactivation. These COF nanofilms functionalize the unactivated C-H bonds in water with a high catalytic yield (45-99\%) and with a high degree of selectivity (cis:trans = 155:1; 3 degrees:2 degrees = 257:1, for cis-1,2-dimethylcyclohexane). To establish this approach{\textquoteright}s {\textquoteleft}{\textquoteleft}practical implementation{\textquoteright}{\textquoteright}, we conducted the catalysis inflow (TON = 424 +/- 5) using catalyst-immobilized COF nanofilms fabricated on a macroporous polymeric support.}, issn = {0002-7863}, doi = {10.1021/jacs.1c02425}, author = {Sasmal, Himadri Sekhar and Bag, Saikat and Chandra, Bittu and Majumder, Poulami and Kuiry, Himangshu and Karak, Suvendu and Sen Gupta, Sayam and Banerjee, Rahul} } @article {47310, title = {Highly efficient and reusable Ru-NaY catalyst for the base free oxidation of 5-Hydroxymethylfurfural to 2,5-Furandicarboxylic acid}, journal = {Catalysis Today}, volume = {375}, year = {2021}, month = {SEP}, type = {Article}, abstract = {

Oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA) is an important reaction for the production of recyclable bio-based polymers. Herein, we report a series of Ru nanoparticles supported on NaY zeolites catalysts for the oxidation of HMF to FDCA. The catalysts were prepared by simple ion exchanged method. Among all the catalysts, the optimized 3 wt \% Ru-NaY catalyst showed superior catalytic activity under base free conditions with a shorter period of reaction time. The conversion of HMF was 100 \% with 94 \% FDCA yield. This catalyst was reused for fourth cycles, with an insignificant decrease in the yield of FDCA. H2-chemisorption and HRTEM studies confirmed that high metal dispersion and small size of Ru nanoparticles play vital roles for the HMF oxidation. In addition, the acidic hydroxyl groups of the supercage as well as higher amount of metallic Ru{\textdegree} are also responsible for the high yield and productivity of FDCA.

}, doi = {10.1016/j.cattod.2020.05.009}, author = {Kandasamy, Prabu and Gogoi, Pranjal and Venugopalan, Aswathy Thareparambil and Raja, Thirumalaiswamy} } @article {47665, title = {High-voltage non-aqueous hybrid supercapacitor based on the N2200 polymer supported over multiwalled carbon nanotubes}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {JUL}, pages = {12314-12326}, type = {Article}, abstract = {P(NDI2OD-T2), also known as Polyera ActivInk N2200, is a widely accepted non-fullerene acceptor polymer that is used prominently in the energy harvesting application due to its ease of synthesis, high electron mobility, and other desirable semiconducting properties. With its recent foray into energy storage applications, there is tremendous potential for developing composites of N2200 with carbon nanotubes (CNTs) to improve its electrical properties and extend its applicability. Here we report a facile synthesis of an N2200 composite with multiwalled carbon nanotubes (MWCNTs) following an in situ approach to include MWCNTs into the polymer matrix, improving its electrochemical performance in an organic electrolyte (1 M LiClO4/propylene carbonate). The composite material with an optimum MWCNT content exhibits prominent redox behavior delivering a specific capacity of 80 mA h g((polymer))(-1) in a standard three-electrode cell. Moreover, the N2200/MWCNT composite material showing a battery-type electrochemical signature could perform as an efficient negative electrode in a high-voltage (2.4 V) hybrid supercapacitor device comprising capacitive activated carbon as the positive electrode.}, issn = {2040-3364}, doi = {10.1039/d1nr01422f}, author = {Wavhal, Bhaiyyasaheb Anurath and Ghosh, Meena and Sharma, Sandeep and Kurungot, Sreekumar and Asha, S. K.} } @article {47806, title = {Identification of a novel series of potent organosilicon mosquito repellents}, journal = {ACS Omega}, volume = {6}, year = {2021}, month = {NOV}, pages = {31236-31243}, type = {Article}, abstract = {Mosquito control by personal protection is one of the most efficient ways of curtailing deadly diseases such as malaria and dengue with the potential to save millions of lives per year. DEET (N,N-diethyl-3-methyl benzamide) is currently considered as the gold standard for mosquito repellents, being used for the past several decades. Control by DEET, however, is being threatened by emerging resistance among mosquitoes. To address this concern and also to improve protection times, we synthesized a novel series of 25 silicon-containing acyl piperidines using acid{\textendash}amine coupling protocol and tested their activity against Aedes aegypti in mosquito-repellent assays. Several compounds from this series appear to possess good mosquito-repellent properties. Most notably, at 0.5 mg/cm2 concentrations, the mean protection time for NDS100100 was 756 min, which was higher than that of DEET (616 min). The details of design, synthesis, and biological evaluation are discussed herein.}, doi = {10.1021/acsomega.1c04961}, author = {Kulkarni, Akshay S. and Ramesh, Remya and Walia, Safal and Sayyad, Shahebaz I. and Gathalkar, Ganesh B. and Balamkundu, Seetharamsing and Joshi, Manali and Sen, Avalokiteswar and Reddy, D. Srinivasa} } @article {47601, title = {Implications of valosin-containing protein in promoting autophagy to prevent tau aggregation}, journal = {Neuroscience}, volume = {476}, year = {2021}, month = {NOV}, pages = {125-134}, type = {Review}, abstract = {and cellular degradative mechanisms modulate Tau aggregation. During aging and neu-rodegenerative disorders, the cellular proteostasis is disturbed due to impaired protective mechanisms. This results in accumulation of aberrant Tau aggregates in the neuron that leads to microtubule destabilization and neuronal degeneration. The intricate mechanisms to prevent Tau aggregation involve chaperones, autophagy, and proteasomal system have gained main focus about concerning to therapeutic intervention. However, the thor-ough understanding of other key proteins, such as Valosin-containing protein (VCP), is limited. In various neu-rodegenerative diseases, the chaperone-like activity of VCP is involved in preventing protein aggregation and mediating the degradation of aberrant proteins by proteasome and autophagy. In the case of Tau aggregation associated with Alzheimer{\textquoteright}s disease, the importance of VCP is poorly understood. VCP is known to co-localize with Tau, and alterations in VCP cause aberrant accumulation of Tau. Nevertheless, the direct mechanism of VCP in altering Tau aggregation is not known. Hence, we speculate that VCP might be one of the key modulators in preventing Tau aggregation and can disintegrate Tau aggregates by directing its clearance by autophagy. = 2021 IBRO. Published by Elsevier Ltd. All rights reserved.}, keywords = {Autophagy, segregase, Tau aggregates, Ubiquitin-proteasome system, valosin-containing protein}, issn = {0306-4522}, doi = {10.1016/j.neuroscience.2021.09.003}, author = {Chinnathambi, Subashchandrabose and Gorantla, Nalini Vijay} } @article {47125, title = {In silico studies, synthesis and antitubercular activity of some novel quinoline - azitidinone derivatives}, journal = {Current Computer-Aided Drug Design}, volume = {17}, year = {2021}, month = {JAN}, pages = {134-143}, type = {Article}, abstract = {

Background: Diarylquinolines like Bedaquiline have shown promising antitubercular activity by their action of Mycobacterial ATPase. Objective: The structural features necessary for a good antitubercular activity for a series of quinoline derivatives were explored through computational chemistry tools like QSAR and combinatorial library generation. In the current study, 3-Chloro-4-(2-mercaptoquinoline-3-yl)-1-substitutedphenylazitidin-2-one derivatives have been designed and synthesized based on molecular modeling studies as anti-tubercular agents. Methods: 2D and 3D QSAR analyses were used to designed compounds having a quinoline scaffold. The synthesized compounds were evaluated against active and dormant strains of Mycobacterium tuberculosis (MTB) H37 Ra and Mycobacterium bovis BCG. The compounds were also tested for cytotoxicity against MCF-7, A549 and Panc-1 cell lines using MTT assay. The binding affinity of designed compounds was gauged by molecular docking studies. Results: Statistically significant QSAR models generated by the SA-MLR method for 2D QSAR exhibited r(2) = 0.852, q(2) = 0.811, whereas 3D QSAR with SA-kNN showed q(2) = 0.77. The synthesized compounds exhibited MIC in the range of 1.38-14.59(mu g/ml). These compounds showed some crucial interaction with MTB ATPase. Conclusion: The present study has shown some promising results which can be further explored for lead generation.

}, keywords = {combilib, Molecular docking, mycobacterial ATPase, QSAR, Quinoline}, issn = {1573-4099}, doi = {10.2174/1573409916666200129095952}, author = {Chitre, Trupti S. and Asgaonkar, Kalyani D. and Vikhe, Amrut B. and Patil, Shital M. and Garud, Dinesh R. and Khedkar, Vijay M. and Sarkar, Dhiman and Nawale, Laxman U. and Yeware, Amar} } @article {46766, title = {In situ preparation of ionomer as a tool for triple-phase boundary enhancement in 3D graphene supported Pt catalyst}, journal = {Advanced Sustainable Systems}, volume = {5}, year = {2021}, month = {JAN}, pages = {2000125}, type = {Article}, abstract = {

For improving the performance of platinum electrocatalysts in polymer electrolyte membrane fuel cells (PEMFCs), it is important to enhance the Pt utilization level in the catalyst systems. A high performing electrocatalyst (Pt/3DNG) is developed for PEMFC applications by using nitrogen-doped 3D graphene (3DNG) as the support material and an in situ grafted active {\textquoteleft}{\textquoteleft}triple-phase boundary{\textquoteright}{\textquoteright} to more precisely control the formation of the proton conducting ionomer interface at the active sites. Considering the 3D morphology of the system, during the electrode fabrication for realistic single-cell evaluation, the concept of in situ generation of the proton conducting-ionomer based {\textquoteleft}{\textquoteleft}active triple-phase boundary{\textquoteright}{\textquoteright} is introduced, which could potentially replace the conventional method of using Nafion ionomer for the electrode preparation. The monomers owing to their small-size can access the pores and inner regions of the 3DNG support, which on UV-curing, undergo polymerization and transform into an ionomer with an extended interfacial network into the nanoregimes of 3DNG. Single cell evaluation of the membrane electrode assembly in a high-temperature PEMFC by using phosphoric acid doped polybenzimidazole membrane demonstrates the utility of the present strategy.

}, keywords = {electrocatalysts, fuel cells, graphene, oxygen reduction reaction}, issn = {2366-7486}, doi = {10.1002/adsu.202000125, Early Access Date = JUL 2020}, author = {Gangadharan, Pranav K. and Vijayakumar, Vidyanand and Nediyirakkal, Shijil A. and Fernandez, Roshni Tresa and Siddharthan, V. Adhrika and Kurungot, Sreekumar} } @article {47083, title = {Influence of domestication on specialized metabolic pathways in fruit crops}, journal = {Planta}, volume = {253}, year = {2021}, month = {FEB }, pages = {61}, type = {Review}, abstract = {

Main conclusionDuring the process of plant domestication, the selection and traditional breeding for desired characters such as flavor, juiciness and nutritional value of fruits, probably have resulted in gain or loss of specialized metabolites contributing to these traits. Their appearance in fruits is likely due to the acquisition of novel and specialized metabolic pathways and their regulation, driven by systematic molecular evolutionary events facilitated by traditional breeding.AbstractPlants change their armory of specialized metabolism to adapt and survive in diverse ecosystems. This may occur through molecular evolutionary events, such as single nucleotide polymorphism, gene duplication and transposition, leading to convergent or divergent evolution of biosynthetic pathways producing such specialized metabolites. Breeding and selection for improved specific and desired traits (fruit size, color, taste, flavor, etc.) in fruit crops through conventional breeding approaches may further alter content and profile of specialized metabolites. Biosynthetic routes of these metabolites have been studied in various plants. Here, we explore the influence of plant domestication and breeding processes on the selection of biosynthetic pathways of favorable specialized metabolites in fruit crops. An orderly clustered arrangement of genes associated with their production is observed in many fruit crops. We further analyzed selection-based acquisition of specialized metabolic pathways comparing first the metabolic profiles and genes involved in their biosynthesis, followed by the genomic organization of such genes between wild and domesticated horticultural crops. Domestication of crop plants favored the acquisition and retention of metabolic pathways that enhanced the fruit value while eliminated those which produced toxic or unfavorable metabolites. Interestingly, unintentional reorganization of complex metabolic pathways by selection and traditional breeding processes has endowed us with flavorful, juicy and nutritionally rich fruits.

}, keywords = {Aroma, Domestication, Flavour, Fruit crops, Gene cluster, Specialized metabolites, Taste}, issn = {0032-0935}, doi = {10.1007/s00425-020-03554-4}, author = {Dar, M. Saleem and Dholakia, Bhushan B. and Kulkarni, Abhijeet P. and Oak, Pranjali S. and Shanmugam, Dhanasekaran and Gupta, Vidya S. and Giri, Ashok P.} } @article {47390, title = {Insights from a pan India Sero-epidemiological survey (Phenome-India Cohort) for SARS-CoV2}, journal = {eLife}, volume = {10}, year = {2021}, month = {APR }, pages = {e66537}, type = {Article}, abstract = {

To understand the spread of SARS-CoV2, in August and September 2020, the Council of Scientific and Industrial Research (India) conducted a serosurvey across its constituent laboratories and centers across India. Of 10,427 volunteers, 1058 (10.14\%) tested positive for SARS-CoV2 anti-nucleocapsid (anti-NC) antibodies, 95\% of which had surrogate neutralization activity. Three-fourth of these recalled no symptoms. Repeat serology tests at 3 (n = 607) and 6 (n = 175) months showed stable anti-NC antibodies but declining neutralization activity. Local seropositivity was higher in densely populated cities and was inversely correlated with a 30-day change in regional test positivity rates (TPRs). Regional seropositivity above 10\% was associated with declining TPR. Personal factors associated with higher odds of seropositivity were high-exposure work (odds ratio, 95\% confidence interval, p value: 2.23, 1.92-2.59, \<0.0001), use of public transport (1.79, 1.43-2.24, \<0.0001), not smoking (1.52, 1.16-1.99, 0.0257), non-vegetarian diet (1.67, 1.41-1.99, \<0.0001), and B blood group (1.36, 1.15-1.61, 0.001).

}, issn = {2050-084X}, doi = {10.7554/eLife.66537}, author = {Naushin, Salwa and Sardana, Viren and Ujjainiya, Rajat and Bhatheja, Nitin and Kutum, Rintu and Bhaskar, Akash Kumar and Pradhan, Shalini and Prakash, Satyartha and Khan, Raju and Rawat, Birendra Singh and Tallapaka, Karthik Bharadwaj and Anumalla, Mahesh and Chandak, Giriraj Ratan and Lahiri, Amit and Kar, Susanta and Mulay, Shrikant Ramesh and Mugale, Madhav Nilakanth and Srivastava, Mrigank and Khan, Shaziya and Srivastava, Anjali and Tomar, Bhawana and Veerapandian, Murugan and Venkatachalam, Ganesh and Vijayakumar, Selvamani Raja and Agarwal, Ajay and Gupta, Dinesh and Halami, Prakash M. and Peddha, Muthukumar Serva and Sundaram, Gopinath M. and Veeranna, Ravindra P. and Pal, Anirban and Agarwal, Vinay Kumar and Maurya, Anil Ku and Singh, Ranvijay Kumar and Raman, Ashok Kumar and Anandasadagopan, Suresh Kumar and Karuppanan, Parimala and Venkatesan, Subramanian and Sardana, Harish Kumar and Kothari, Anamika and Jain, Rishabh and Thakur, Anupama and Parihar, Devendra Singh and Saifi, Anas and Kaur, Jasleen and Kumar, Virendra and Mishra, Avinash and Gogeri, Iranna and Rayasam, Geethavani and Singh, Praveen and Chakraborty, Rahul and Chaturvedi, Gaura and Karunakar, Pinreddy and Yadav, Rohit and Singhmar, Sunanda and Singh, Dayanidhi and Sarkar, Sharmistha and Bhattacharya, Purbasha and Acharya, Sundaram and Singh, Vandana and Verma, Shweta and Soni, Drishti and Seth, Surabhi and Vashisht, Sakshi and Thakran, Sarita and Fatima, Firdaus and Singh, Akash Pratap and Sharma, Akanksha and Sharma, Babita and Subramanian, Manikandan and Padwad, Yogendra S. and Hallan, Vipin and Patial, Vikram and Singh, Damanpreet and Tripude, Narendra Vijay and Chakrabarti, Partha and Maity, Sujay Krishna and Ganguly, Dipyaman and Sarkar, Jit and Ramakrishna, Sistla and Kumar, Balthu Narender and Kumar, Kiran A. and Gandhi, Sumit G. and Jamwal, Piyush Singh and Chouhan, Rekha and Jamwal, Vijay Lakshmi and Kapoor, Nitika and Ghosh, Debashish and Thakkar, Ghanshyam and Subudhi, Umakanta and Sen, Pradip and Chaudhury, Saumya Ray and Kumar, Rashmi and Gupta, Pawan and Tuli, Amit and Sharma, Deepak and Ringe, Rajesh P. and Amarnarayan, D. and Kulkarni, Mahesh and Shanmugam, Dhansekaran and Dharne, Mahesh S. and Dastager, Sayed G. and Joshi, Rakesh and Patil, Amita P. and Mahajan, Sachin N. and Khan, Abujunaid Habib and Wagh, Vasudev and Yadav, Rakesh Kumar and Khilari, Ajinkya and Bhadange, Mayuri and Chaurasiya, Arvindkumar H. and Kulsange, Shabda E. and Khairnar, Krishna and Paranjape, Shilpa and Kalita, Jatin and Sastry, Narahari G. and Phukan, Tridip and Manna, Prasenjit and Romi, Wahengbam and Bharali, Pankaj and Ozah, Dibyajyoti and Sahu, Ravi Kumar and Babu, Elapavalooru Vssk and Sukumaran, Rajeev and Nair, Aiswarya R. and Valappil, Prajeesh Kooloth and Puthiyamadam, Anoop and Velayudhanpillai, Adarsh and Chodankar, Kalpana and Damare, Samir and Madhavi, Yennapu and Aggarwal, Ved Varun and Dahiya, Sumit and Agrawal, Anurag and Dash, Debasis and Sengupta, Shantanu} } @article {46630, title = {Insights into the nature of self-extinguishing external donors for ziegler-natta catalysis: a combined experimental and DFT study}, journal = {ChemCatChem}, volume = {13}, year = {2021}, month = {JAN }, pages = {674-681}, type = {Article}, abstract = {

Developing donors for Ziegler-Natta (ZN) catalysis to control the polymerization reaction and produce polymers with desirable properties has always been challenging due to the multi-component nature of the catalytic systems. Here, we have developed a new synthetic protocol for making two external donors, D-1 (2,2,2-trifluoroethyl myristate) and D-2 (2,2,2-trifluoroethyl palmitate) that show self-extinguishing properties, followed by a systematic DFT study to understand this peculiar property of these donors. D-1 and D-2 can undergo parallel reactions with aluminum and titanium species present in the system to produce ketones and aldehydes, which are poisons for ZN catalytic systems, thus explaining their self-extinguishing nature. The non-covalent interaction between the long alkyl chain of the donors with the surface plays a vital role in determining the donors {\textquoteleft} self-extinguishing nature. There is a significant thermodynamic preference for the binding of the donor with the longer alkyl chain at the titanium center. The current work, therefore, provides interesting insights into how self-extinguishing donors function in ZN catalytic systems.

}, keywords = {DFT, donors, non-covalent interactions, self-extinguishing, Ziegler-Natta catalysis}, issn = {1867-3880}, doi = {10.1002/cctc.202001493, Early Access Date = NOV 2020}, author = {Vipin Raj, K. and Kumawat, Jugal and Dhamaniya, Sunil and Subaramanian, Murugan and Balaraman, Ekambaram and Kumar Gupta, Virendra and Vanka, Kumar and Grubbs, Robert H.} } @article {47754, title = {In-situ experimental and computational approach to investigate the nature of active site in low-temperature CO-PROX over CuOx-CeO2 catalyst}, journal = {Applied Catalysis A-General}, volume = {624}, year = {2021}, month = {AUG }, pages = {118305}, type = {Article}, abstract = {Preferential oxidation (PROX) of carbon monoxide (CO) in presence of excess hydrogen is a necessity to prevent poisoning of the Pt-anode by CO in PEMFCs (Polymer Electrolyte Membrane Fuel Cell). A highly active catalyst, 5 wt\% Cu-CeO2 showed 100 \% CO conversion at 65 degrees C without any undesirable oxidation of H-2. The catalyst showed no deactivation even after 100 h on stream, making it viable for practical fuel cell application. Operando EPR in the PROX reaction condition revealed highly dispersed mixed valent cations with oxygen vacancies, responsible for the low-temperature PROX activity. At the active site, both Cu and Ce ions were shown to reversibly change their valence states to facilitate the abstraction of bridging lattice oxygen for CO oxidation to CO2. This surface oxygen mediated CO oxidation was found to be much faster than that of H-2 to H2O, which could explain the complete selectivity of oxygen for CO2 formation.}, keywords = {CuOx-CeO2, interface, Oxygen vacancy, PROX, Synergistic}, issn = {0926-860X}, doi = {10.1016/j.apcata.2021.118305}, author = {Adak, Shubhadeep and Rabeah, Jabor and Ranjan, Ravi and Khan, Tuhin Suvra and Poddar, Mukesh Kumar and Gupta, Rishi Kumar and Sasaki, Takehiko and Kumar, Sagar and Bordoloi, Ankur and Gopinath, Chinnakonda S. and Bruckner, Angelika and Bal, Rajaram} } @article {47113, title = {Integrated genetic and metabolic landscapes predict vulnerabilities of temozolomide resistant glioblastoma cells}, journal = {npj Systems Biology and Applications}, volume = {7}, year = {2021}, month = {JAN }, pages = {2}, type = {Article}, abstract = {

Metabolic reprogramming and its molecular underpinnings are critical to unravel the duality of cancer cell function and chemo-resistance. Here, we use a constraints-based integrated approach to delineate the interplay between metabolism and epigenetics, hardwired in the genome, to shape temozolomide (TMZ) resistance. Differential metabolism was identified in response to TMZ at varying concentrations in both the resistant neurospheroidal (NSP) and the susceptible (U87MG) glioblastoma cell-lines. The genetic basis of this metabolic adaptation was characterized by whole exome sequencing that identified mutations in signaling pathway regulators of growth and energy metabolism. Remarkably, our integrated approach identified rewiring in glycolysis, TCA cycle, malate aspartate shunt, and oxidative phosphorylation pathways. The differential killing of TMZ resistant NSP by Rotenone at low concentrations with an IC50 value of 5 nM, three orders of magnitude lower than for U87MG that exhibited an IC50 value of 1.8 mM was thus identified using our integrated systems-based approach.

}, doi = {10.1038/s41540-020-00161-7}, author = {Immanuel, Selva Rupa Christinal and Ghanate, Avinash D. and Parmar, Dharmeshkumar S. and Yadav, Ritu and Uthup, Riya and Panchagnula, Venkateswarlu and Raghunathan, Anu} } @article {47073, title = {Interatomic Coulombic decay in Neon-Helium cluster: a complex absorbing potential based equation-of-motion coupled cluster investigation}, journal = {Molecular Physics}, volume = {119}, year = {2021}, month = {MAY}, pages = {e1884300}, type = {Article}, abstract = {

The interatomic Coulombic decay (ICD) of the Ne(2s(-1)) and Ne(2s(-1)2p(-1)) states in neon-helium dimer is studied using highly accurate complex absorbing potential based equation-of-motion coupled cluster (CAP-EOMCC) method. The ICD decay process for the Ne(2s(-1)) state in neon-helium dimer is closed at its equilibrium bond distance. However, the decay channel is open at large bond distance of 6.2 angstrom. The decay channel for the double ionised Ne(2s(-1)2p(-1)) state is open at 3.46 angstrom. From our calculations, we have noticed that the decay rate of Ne(2s(-1)2p(-1)) state in neon-helium dimer is four times faster compared to the Ne(2s(-1)) state. We have also investigated how the decay rate of Ne(2s(-1)) state in neon-helium cluster varies in the presence of different helium environment. [GRAPHICS] .

}, keywords = {double ionised state, equation-of-motion coupled cluster (EOMCC), He droplet, interatomic Coulombic decay (ICD)}, issn = {0026-8976}, doi = {10.1080/00268976.2021.1884300, Early Access Date = FEB 2021}, author = {Ghosh, Aryya and Pal, Sourav and Vaval, Nayana} } @article {47587, title = {Intramolecularly double-donor-stabilized stannylene and its coordination towards Ag(I) and Au(I) centers}, journal = {Chemistry-An Asian Journal}, volume = {16}, year = {2021}, month = {AUG }, pages = {2118-2125}, type = {Article}, abstract = {The intramolecularly double-donor-stabilized stannylene 1 has been synthesized from the salt-metathesis reaction between two equivalents of lithium pyridine ene-amide L1 and SnCl2. Compound 1 exhibits dipolar behavior when reacted with B(C6F5)(3) leading to the zwitterionic compound 2. The reaction of 1 with one equivalent and 0.5 equivalent of AgOTf (OTf=trifluoromethane sulfonate) result in the formation of a stannylene-AgOTf complex 3 and a homoleptic distannylene-silver ionic complex 4, respectively. Analogous to complex 4, the gold(I) complex 5 has been synthesized from the reaction between two equivalents of 1 and 0.5 equivalent of AuCl.SMe2/Me3SiOTf. Complex 5 is the first example of homoleptic stannylene-Au(I) ionic complex among the very scarce reports on stannylene-gold(I) coordination complexes. All compounds have been structurally characterized using single crystal X-ray crystallography. Solution-state characterization have been performed using multinuclear NMR techniques. Detailed DFT calculations on the optimized geometries 1 o, 3 o-5 o reveal the change in sp- hybridization on the pyramidal Sn(II) center upon metal coordination and their bonding overlaps.}, keywords = {coordination, gold cation, hybridization, intramolecular donor, stannylene}, issn = {1861-4728}, doi = {10.1002/asia.202100523}, author = {Chibde, Purva and Raut, Ravindra K. and Kumar, Vikas and Deb, Rahul and Gonnade, Rajesh and Majumdar, Moumita} } @article {47751, title = {Ionic conductivity of Na3Al2P3O12 glass electrolytes role of charge compensators}, journal = {Inorganic Chemistry}, volume = {60}, year = {2021}, month = {SEP }, pages = {12893-12905}, type = {Article}, abstract = {In glasses, a sodium ion (Na+) is a significant mobile cation that takes up a dual role, that is, as a charge compensator and also as a network modifier. As a network modifier, Na+ cations modify the structural distributions and create nonbridging oxygens. As a charge compensator, Na+ cations provide imbalanced charge for oxygen that is linked between two network-forming tetrahedra. However, the factors controlling the mobility of Na+ ions in glasses, which in turn affects the ionic conductivity, remain unclear. In the current work, using high-fidelity experiments and atomistic simulations, we demonstrate that the ionic conductivity of the Na3Al2P3O12 (Si0) glass material is dependent not only on the concentration of Na+ charge carriers but also on the number of charge-compensated oxygens within its first coordination sphere. To investigate, we chose a series of glasses formulated by the substitution of Si for P in Si0 glass based on the hypothesis that Si substitution in the presence of Na+ cations increases the number of SiOAl bonds, which enhances the role of Na as a charge compensator. The structural and conductivity properties of bulk glass materials are evaluated by molecular dynamics (MD) simulations, magic angle spinning-nuclear magnetic resonance, Raman spectroscopy, and impedance spectroscopy. We observe that the increasing number of charge-imbalanced bridging oxygens (BOs) with the substitution of Si for P in Si0 glass enhances the ionic conductivity by an order of magnitudefrom 3.7 x 10(-8) S.cm(-1) to 3.3 x 10(7) S.cm(-1) at 100 degrees C. By rigorously quantifying the channel regions in the glass structure, using MD simulations, we demonstrate that the enhanced ionic conductivity can be attributed to the increased connectivity of Na-rich channels because of the increased charge-compensated BOs around the Na atoms. Overall, this study provides new insights for designing next-generation glass-based electrolytes with superior ionic conductivity for Na-ion batteries}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.1c01280}, author = {Keshri, Shweta R. and Ganisetti, Sudheer and Kumar, Rajesh and Gaddam, Anuraag and Illath, Kavya and Ajithkumar, Thalasseril G. and Balaji, Sathravada and Annapurna, K. and Nasani, Narendar and Krishnan, N. M. Anoop and Allu, Amarnath R.} } @article {47418, title = {Lead-free zero dimensional tellurium(iv) chloride-organic hybrid with strong room temperature emission as a luminescent material}, journal = {Journal of Materials Chemistry C}, volume = {9}, year = {2021}, month = {MAR }, pages = {4351-4358}, type = {Article}, abstract = {

Despite the current progress in {\textquoteleft}Pb-free{\textquoteright} low dimensional main group metal halide based luminescent materials, it is challenging to synthesize Te(iv) halide hybrids with strong ambient emission with excitation features in the visible range as efficient and stable phosphors for potential lighting applications. Reported here is a (benzyltriethylammonium)(2)TeCl6 zero dimensional hybrid material with excitation features in the visible range and strong room temperature, broadband, intrinsic luminescence (PLQY similar to 15\%) arising due to self-trapped excitons (STEs). Furthermore, a proof-of-concept LED architecture demonstrates successful optical down-conversion with a visible light excitation source. Here, exclusive adoption of a {\textquoteleft}regular{\textquoteright} octahedral Te(iv)-halide unit structure with minimal static distortion provides a unique opportunity to unmask the role played by 5s(2) lone pair electrons in shaping the emissive properties. This effort may open up new avenues towards unravelling the role of lone pair stereoactivity in controlling the PLQY in low dimensional hybrids that has proven to be challenging for the reported (Sb, Sn) based low dimensional 5s(2) metal halide hybrid materials.

}, issn = {2050-7526}, doi = {10.1039/d0tc05752e}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Bahadur, Vir and Biswas, Chinmoy and Mali, Bhupendra P. and Raavi, Sai Santosh Kumar and Gonnade, Rajesh G. and Kundu, Janardan} } @article {47058, title = {Lithium compound catalyzed deoxygenative hydroboration of primary, secondary and tertiary amides}, journal = {Dalton Transactions}, volume = {50}, year = {2021}, month = {FEB}, pages = {2354-2358}, type = {Article}, abstract = {

A selective and efficient route for the deoxygenative reduction of primary to tertiary amides to corresponding amines has been achieved with pinacolborane (HBpin) using simple and readily accessible 2,6-di-tert-butyl phenolate lithium center dot THF (1a) as a catalyst. Both experimental and DFT studies provide mechanistic insight.

}, issn = {1477-9226}, doi = {10.1039/d1dt00364j}, author = {Bisai, Milan Kumar and Gour, Kritika and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47392, title = {Machine learning classifiers aid virtual screening for efficient design of mini-protein therapeutics}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {38}, year = {2021}, month = {APR }, pages = {127852}, type = {Article}, abstract = {

De novo design of mini-proteins (4-12 kDa) has recently been shown to produce new candidates for protein therapeutics. They are temperature stable molecules that bind to the drug target with high affinity for inhibiting its interactions. The development of mini-protein binders requires laboratory screening of tens of thousands of molecules for effective target binding. In this study we trained machine learning classifiers which can distinguish, with 90\% accuracy and 80\% precision, mini-protein binders from non-binding molecules designed for a particular target; this significantly reduces the number of mini protein candidates for experimental screening. Further, on the basis of our results we propose a multi-stage protocol where a small dataset (few hundred experimentally verified target-specific mini-proteins) can be used to train classifiers for improving the efficiency of mini-protein design for any specific target.

}, keywords = {Drug design, machine learning, Mini-proteins, Protein therapeutics, virtual screening}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2021.127852}, author = {Gaur, Neeraj K. and Goyal, Venuka Durani and Kulkarni, Kiran and Makde, Ravindra D.} } @article {47622, title = {Manipulating hydrophobicity of polyester nanofiber mats with egg albumin to enhance cell interactions}, journal = {Polymer Engineering and Science}, volume = {61}, year = {2021}, month = {OCT}, pages = {2496-2510}, type = {Article}, abstract = {A hybrid of poly-l-lactic acid (PLA) and poly-epsilon-caprolactone (PCL) system was designed using hydrophilic generally regarded as safe (GRAS) protein, egg albumin (EA), and fabricated as nanofiber mats (NM) to facilitate improved cell interactions and functionality. Our studies include, preparation and analysis of physicochemical properties of NM. Surface morphology of NM was smooth with the diameter ranging from 250 to 400 nm. The contact angle of NM decreased from 80 to 45 degrees with the increase in EA concentration. The rate and extent of swelling was increased 3-folds with the addition of EA. Release studies of NM showed maximum amount of MTz was released with the increase in MTz concentration (>85\%). The MTz interaction with EA and structure stability of EA was confirmed from fluorescence and circular dichroism studies. NM showed increase in inhibition of bacterial growth of Staphylococcus aureus and Escherichia coli with the increase in MTz concentration. Cell viability of the NM was >80\% and also, the cell proliferation increased as EA content increased. NM hemolytic activity was less than 5\% suggesting compatibility. Hence, results concluded that EA had regulated hydrophobicity, promoted cell interactions, and proliferation and therefore, NM is considered safe for tissue regeneration.}, keywords = {Biocompatibility, Biomaterials, drug delivery systems, egg albumin, electrospinning, nanofibers, polyesters}, issn = {0032-3888}, doi = {10.1002/pen.25776}, author = {Patel, Pratikshkumar R. and Pandey, Komal and Killi, Naresh and Gundloori, Rathna Venkata Naga} } @article {47435, title = {Mechanical properties of anodic titanium dioxide nanostructures}, journal = {Materiali in Tehnologije}, volume = {55}, year = {2021}, month = {JAN}, pages = {19-24}, type = {Article}, abstract = {

Highly ordered and uniform titanium dioxide (TiO2) nanotubes (NTs) with different morphologies (15 nm, 50 nm and 100 nm in diameter) were prepared by the electrochemical anodization of Ti substrates. The TiO2 NTs{\textquoteright} surface properties were characterized by X-ray diffraction (XRD) spectroscopy, Raman spectroscopy, scanning electron microscopy (SEM) and atomic force microscopy (AFM). The elastic modulus (E) and the Vickers hardness (HV) of the Ti foil and of the different-morphology TiO2 NTs were evaluated with the nano-indentation technique. E and HV increase with the decreasing length/diameter of the NTs, meaning that NTs with smaller diameters are more resistant to mechanical wear. The elastic modulus of the TiO2 NTs with 15-nm and 50-nm diameters is similar to that of the human bone.

}, keywords = {Elastic modulus, mechanical properties, titanium dioxide (TiO2) nanotubes, Vickers hardness}, issn = {1580-2949}, doi = {10.17222/mit.2020.109}, author = {Kulkarni, Mukta and Sepitka, Josef and Junkar, Ita and Bencina, Metka and Rawat, Niharika and Mazare, Anca and Rode, Chandrashekhar and Gokhale, Suresh and Schmuki, Patrik and Daniel, Matej and Iglic, Ales} } @article {47119, title = {Metal halide structure and the extent of distortion control the photo-physical properties of luminescent zero dimensional organic-antimony(iii) halide hybrids}, journal = {Journal of Materials Chemistry C}, volume = {9}, year = {2021}, month = {JAN }, pages = {348-358}, type = {Article}, abstract = {

Antimony(iii) halide based zero dimensional hybrids have gained attention as broadband emitters. Until now, quadrangular pyramidal SbX5 based and octahedral SbX6 based 0D hybrids have been reported utilizing different organic ligands demonstrating some structural tunability affecting their emissive properties. Utilizing a common organic ligand, here we demonstrate the structural tunability (quadrangular pyramidal, octahedral, or a combination thereof) of the metal halide unit in Sb(iii)Cl 0D hybrids with contrasting photo-physical properties (broadband, Stokes shift, strong/weak colored emission). The structure-property-mechanism correlation of the synthesized compounds [1 (C12H52Cl18N8O4Sb3; tris Sb green); 2 (C12H50Cl14N8O3Sb2; tris Sb red); 3 (C24H88Cl25N16O4Sb3; tris Sb yellow)] identifies crucial factors that control their emissive properties. The X-ray analysis reveals the structure (1-octahedral; 2-quadrangular pyramidal; 3-combination thereof) and the order of the extent of structural distortion as 1-3 MUCH LESS-THAN 2. The metal halide coordination environment asymmetry and its structure are observed to dictate PL emission energy (1-green; 2-red; 3-yellow) as supported by a qualitative Molecular Orbital scheme. The extent of structural distortion guides the observed Stokes shifts (1-165 nm; 2-290 nm; 3-200 nm; 1-3 \< 2). Interestingly, the extent of distortion is found to be well correlated with the observed PLQY (1-45\%; 2-6\%; 3-43\%; 1-3 \>\> 2). This report clearly demonstrates the structural tunability and the effect of the metal halide unit structure/distortion in shaping the emissive properties of 0D organic Sb(iii) halide hybrids.

}, issn = {2050-7526}, doi = {10.1039/d0tc03440a}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Mali, Bhupendra P. and Bahadur, Vir and Biswas, Chinmoy and Raavi, Sai Santosh Kumar and Gonnade, Rajesh G. and Kundu, Janardan} } @article {47588, title = {Metal-free, Tf2NH-catalyzed 1, 6-conjugate addition of imidazopyridine to para-quinone methides: easy access to C3-functionalized triarylmethane imidazopyridine}, journal = {Tetrahedron}, volume = {101}, year = {2021}, month = {NOV}, pages = {132510}, type = {Article}, abstract = {An inexpensive and commercially available Tf2NH-catalyzed 1,6-conjugate addition of imidazopyridine (IMPY) heterocycles to para-quinone methides (p-QMs) is reported. The present transformation provides a diverse class of C3-functionalized triarylmethanes heterocyclic derivatives of imidazopyridine. These metal-free transformations provided a very broad substrate scope of conjugate addition product with a high yield up to 97\% within a short duration. (C) 2021 Elsevier Ltd. All rights reserved.}, keywords = {1, 6-Conjugate addition, Bronsted acid, C3-functionalization, Imidazopyridine, para-Quinone methide}, issn = {0040-4020}, doi = {10.1016/j.tet.2021.132510}, author = {Khonde, Nilesh S. and Said, Madhukar S. and Sabane, Jagjivan K. and Gajbhiye, Jayant M. and Kumar, Pradeep} } @article {47070, title = {Molecular characterization of the beta(2)-like octopamine receptor of helicoverpa armigera}, journal = {Journal of Membrane Biology}, volume = {254}, year = {2021}, month = {JUN}, type = {Article}, abstract = {

Helicoverpa armigera is a devastating polyphagous and cosmopolitan crop pest. There are reports of this insect being resistant to a variety of pesticides raising concern worldwide. The Octopamine (OA) binding beta(2)-like receptor (OAR), a GPCR, is widely distributed in the nervous system of the insect and plays essential roles in the physiology and development and thus is an important target for insecticides. Yet, the molecular characterization of the H. armigera OAR (HarmOAR) and rational design of compounds based on this receptor is lacking. As a first step, we performed multiple sequence alignment of all insect OARs, which revealed that the sequences contained all conserved class A GPCR motifs. Phylogenetic studies showed clade-specific variations in the protein sequences primarily arising owing to differences in the ICL3 loop region. Further, a structural model of HarmOAR was built using the inactive human beta(2)AR as a template. 0.9 mu s atomistic simulations revealed conserved inter helical contacts and water molecules of HarmOAR. The detailed binding of octopamine was studied using molecular docking and 0.3 mu s atomistic simulations. Twenty-two insecticides active against octopamine receptors of other insects were compiled and docked to HarmOAR followed by rescoring with binding free energies to prioritize them for H. armigera. Our study suggests alpha-terpineol to be a good candidate as an insecticide or insect repellent for Helicoverpa armigera.

}, keywords = {docking, Helicoverpa armigera, Insecticides, molecular dynamics, Octopamine receptor, Phylogeny}, issn = {0022-2631}, doi = {10.1007/s00232-021-00172-3, Early Access Date = FEB 2021}, author = {Gujar, Nidhi and Nikte, V, Siddhanta and Joshi, Rakesh S. and Joshi, Manali} } @article {47054, title = {Mycology and mycotechnology on postal stamps}, journal = {Current Science}, volume = {120}, year = {2021}, month = {FEB}, pages = {628-636}, type = {Article}, abstract = {

Mycology, the study of fungal biology, and philately, the study of postage stamps, are rarely connected, as they are very different activities. However, philatelic mycology can raise awareness of the facets of fungi which contribute significantly to human welfare. Fungi are photogenic and exhibit physiological wonders such as luminescence. They are important in biotechnology for their secondary metabolites. So, stamps depicting fungi signal the recognition of problems and prospects of prosperity posed by fungi in nutrition and health, agriculture, engineering, industry and ecology. Many countries have issued thousands of stamps on fungi. India with a rich heritage of fungal diversity lags in this respect. This article hopes to inspire action by celebrating the beauty and significance of fungi in the art of philately.

}, keywords = {mycology, mycophilately, Mycotechnology, photogenic appeal, postal stamps}, issn = {0011-3891}, doi = {10.18520/cs/v120/i4/628-636}, author = {Ghormade, Vandana and Pathan, Ejaj and Jyoti, Jeevan and Vartak, Ajit and Deshpande, Mukund} } @article {47419, title = {Naphthalene dianhydride organic anode for a {\textquoteleft}rocking-chair{\textquoteright} zinc-proton hybrid ion battery}, journal = {Dalton Transactions}, volume = {50}, year = {2021}, month = {MAR }, pages = {4237-4243}, type = {Article}, abstract = {

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

}, issn = {1477-9226}, doi = {10.1039/d0dt04404k}, author = {Ghosh, Meena and Vijayakumar, Vidyanand and Kurian, Maria and Dilwale, Swati and Kurungot, Sreekumar} } @article {47386, title = {NHC-catalyzed desymmetrization of N-aryl maleimides leading to the atroposelective synthesis of N-Aryl succinimides}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {MAY }, pages = {12264-12268}, type = {Article}, abstract = {

Although the construction of axially chiral C-C bonds leading to the atroposelective synthesis of biaryls and allied compounds are well-known, the related synthesis of compounds bearing axially chiral C-N bonds are relatively rare. Described herein is the N-heterocyclic carbene-catalyzed atroposelective synthesis of N-aryl succinimides having an axially chiral C-N bond via the desymmetrization of N-aryl maleimides. The NHC involved intermolecular Stetter-aldol cascade of dialdehydes with prochiral N-aryl maleimides followed by oxidation afforded N-aryl succinimides in good yields and ee values. Preliminary studies on rotation barrier for the C-N bond, the temperature dependence, and detailed DFT studies on mechanism are also provided.

}, keywords = {asymmetric catalysis, axial chirality, desymmetrization, N-heterocyclic carbenes, organocatalysis}, issn = {1433-7851}, doi = {10.1002/anie.202016938, Early Access Date = APR 2021}, author = {Barik, Soumen and Shee, Sayan and Das, Soumik and Gonnade, Rajesh G. and Jindal, Garima and Mukherjee, Subrata and Biju, Akkattu T.} } @article {47638, title = {Ni(II)-catalyzed intramolecular C-H/C-H oxidative coupling: an efficient route to functionalized cycloindolones and indenoindolones}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {OCT }, pages = {12384-12393}, type = {Article}, abstract = {Nickel(II)-catalyzed intramolecular C(sp(2))-H/C(sp(3))-H and C(sp(2))-H/C(sp(2))-H oxidative couplings in indoles are achieved via chelation assistance. These reactions provide access to biologically relevant five- and six-membered substituted cyclopentaindolones, carbazolones, and indenoindolones in high yields and good chemoselectivity employing an air-stable and defined nickel catalyst, (bpy)Ni(OAc)(2). The oxidative cyclizations proceeded either through a six-membered or an unconventional seven-membered nickelacycle. An extensive mechanistic investigation by experiments and theoretical calculations revealed a facile indole{\textquoteright}s C(2)-H nickelation and a rate-limiting reductive elimination process. This intramolecular oxidative cyclization operates via a probable Ni(II)/Ni(III) pathway involving single-electron oxidation of nickel without the participation of a carbon-based radical.}, keywords = {C-H activation, cycloindolones, indenoindolones, indoles, Mechanism, Nickel, oxidative coupling}, issn = {2155-5435}, doi = {10.1021/acscatal.1c03314}, author = {Ankade, Shidheshwar B. and Samal, Pragnya Paramita and Soni, Vineeta and Gonnade, Rajesh G. and Krishnamurty, Sailaja and Punji, Benudhar} } @article {47616, title = {Novel gene similar to nitrite reductase (NO forming) plays potentially important role in the latency of tuberculosis}, journal = {Scientific Reports}, volume = {11}, year = {2021}, month = {OCT }, pages = {19813}, type = {Article}, abstract = {The development of the latent phenotype of Mycobacterium tuberculosis (Mtb) in the human lungs is the major hurdle to eradicate Tuberculosis. We recently reported that exposure to nitrite (10 mM) for six days under in vitro aerobic conditions completely transforms the bacilli into a viable but non-cultivable phenotype. Herein, we show that nitrite (beyond 5 mM) treated Mtb produces nitric oxide (NO) within the cell in a dose-dependent manner. Our search for the conserved sequence of NO synthesizing enzyme in the bacterial system identified MRA2164 and MRA0854 genes, of which the former was found to be significantly up regulated after nitrite exposure. In addition, the purified recombinant MRA2164 protein shows significant nitrite dependent NO synthesizing activity. The knockdown of the MRA2164 gene at mRNA level expression resulted in a significantly reduced NO level compared to the wild type bacilli with a simultaneous return of its replicative capability. Therefore, this study first time reports that nitrite induces dormancy in Mtb cells through induced expression of the MRA2164 gene and productions of NO as a mechanism for maintaining non-replicative stage in Mtb. This observation could help to control the Tuberculosis disease, especially the latent phenotype of the bacilli.}, issn = {2045-2322}, doi = {10.1038/s41598-021-99346-1}, author = {Agrawal, Sonia and Gample, Suwarna and Yeware, Amar and Sarkar, Dhiman} } @article {47380, title = {One-dimensional multichannel g-C3N4.7 nanostructure realizing an efficient photocatalytic hydrogen evolution reaction and its theoretical investigations}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {APR }, pages = {3118-3129}, type = {Article}, abstract = {

The emerging metal-free carbon nitride (C3N4) offers prominent possibilities for realizing the highly effective hydrogen evolution reaction (HER). However, its poor surface conductivity and insufficient catalytic sites hinder the HER performance. Herein, a one-dimensional vermicular rope-like graphitic carbon nitride nanostructure is demonstrated that consists of multichannel tubular pores and high nitrogen content, which is fabricated through a cost-effective approach having the final stoichiometry g-C3N4.7 for HER application. The present g-C3N4.7 is unique owing to the presence of abundant channels for the diffusion process, modulated surface chemistry with rich- electroactive sites from N-electron lone pairs, greatly reduced recombination rate of photoexcited exciton pairs, and a high donor concentration (4.26 x 10(17) cm(3)). The catalyst offers a visible-light-driven photocatalytic H-2 evolution rate as high as 4910 mu mol h(-1)g(-1) with an apparent quantum yield of 14.07\% at band gap absorption (2.59 eV, 479 nm) under 7.68 mW cm(-2) illumination. The number of hydrogen gas molecules produced is 1.307 x 10(15) s(-1) cm(-2), which remained constant for a minimum of 18 h of repeated cycling in the HER without any degradation of the catalyst. In density functional theory calculations, a significant change in the band offset is observed due to N doping into the system in favor of electron catalysis. The theoretical band gap of a monolayer of g-C3N4.7 was enormously reduced because of the presence of additional densities of states from the doped N atom inside the band gap. These impurity or donor bands are formed inside the band gap region, which ultimately enhance the hydrogen ion reduction reaction enormously.

}, keywords = {carbon nitride, Density functional theory, hydrogen evolution reaction, nitrogen-rich, Photocatalyst}, issn = {2574-0962}, doi = {10.1021/acsaem.0c02858}, author = {Antil, Bindu and Kumar, Lakshya and Ranjan, Ravi and Shenoy, Sulakshana and Tarafder, Kartick and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {47650, title = {One-pot bioconversion of tomato waste into poly-gamma-glutamic acid (gamma-PGA) biopolymer by a novel biocatalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {9}, year = {2021}, month = {NOV }, pages = {14330-14334}, type = {Article}, abstract = {Landfilling of rotten tomatoes can lead to environmental instability and a huge economic loss to the producers. This letter reports an effective valorization of tomato waste into a promising biopolymer, i.e., poly-gamma-glutamic acid (gamma-PGA) by a novel biocatalyst Bacillus paralicheniformis NCIM 5769. The gamma-PGA is one of the most expensive biopolymers with multifarious applications in wound healing, drug delivery, and regenerative medicine fields. However, its adoption into various applications is finite due to its exorbitant production cost. Herein, rotten tomatoes (without additional nutrient supplementation) served as the chassis for the fermentative production of 40 g/L of highly pure gamma-PGA within 48 h at ambient temperature. Further, NMR, DSC, and TGA confirmed the purity of synthesized gamma-PGA identical to standard gamma-PGA. This process has potential in the commercialization of.-PGA by significantly reducing the production cost, followed by the effective utilization of tomato waste leading to United Nations Sustainable Development Goal 12 (i.e., ensure sustainable consumption and production patterns).}, keywords = {Commercialization, Poly-gamma-glutamic acid, Rotten tomatoes, United Nations Sustainable Development Goals, Waste utilization}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c05362}, author = {Nair, Pranav G. and Joseph, Emmanuel and Killi, Naresh and Konchada, Sravanya and Nisal, Anuya and Gundloori, Rathna Venkata Naga and Dharne, Mahesh S.} } @article {47409, title = {Orc4 spatiotemporally stabilizes centromeric chromatin}, journal = {Genome Research}, volume = {31}, year = {2021}, month = {APR}, pages = {607-621}, type = {Article}, abstract = {

The establishment of centromeric chromatin and its propagation by the centromere-specific histone CENPA is mediated by epigenetic mechanisms in most eukaryotes. DNA replication origins, origin binding proteins, and replication timing of centromere DNA are important determinants of centromere function. The epigenetically regulated regional centromeres in the budding yeast Candida albicans have unique DNA sequences that replicate earliest in every chromosome and are clustered throughout the cell cycle. In this study, the genome-wide occupancy of the replication initiation protein Orc4 reveals its abundance at all centromeres in C. albicans. Orc4 is associated with four different DNA sequence motifs, one of which coincides with tRNA genes (tDNA) that replicate early and cluster together in space. Hi-C combined with genome-wide replication timing analyses identify that early replicating Orc4-bound regions interact with themselves stronger than with late replicating Orc4-bound regions. We simulate a polymer model of chromosomes of C. albicans and propose that the early replicating and highly enriched Orc4-bound sites preferentially localize around the clustered kinetochores. We also observe that Orc4 is constitutively localized to centromeres, and both Orc4 and the helicase Mcm2 are essential for cell viability and CENPA stability in C. albicans. Finally, we show that new molecules of CENPA are recruited to centromeres during late anaphase/telophase, which coincides with the stage at which the CENPA-specific chaperone Scm3 localizes to the kinetochore. We propose that the spatiotemporal localization of Orc4 within the nucleus, in collaboration with Mcm2 and Scm3, maintains centromeric chromatin stability and CENPA recruitment in C. albicans.

}, issn = {1088-9051}, doi = {10.1101/gr.265900.120}, author = {Sreekumar, Lakshmi and Kumari, Kiran and Guin, Krishnendu and Bakshi, Asif and Varshney, Neha and Thimmappa, Bhagya C. and Narlikar, Leelavati and Padinhateeri, Ranjith and Siddharthan, Rahul and Sanyal, Kaustuv} } @article {47749, title = {On the origin of controlled anisotropic growth of monodisperse gold nanobipyramids}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {SEP}, pages = {15292-15300}, type = {Article}, abstract = {We elucidate the crucial role of the cetyl trimethylammonium bromide (CTAB) surfactant in the anisotropic growth mechanism of gold nano-bipyramids, nano-objects with remarkable optical properties and high tunability. Atomistic molecular dynamics simulations predict different surface coverages of the CTAB (positively charged) heads and their (bromide) counterions as function of the gold exposed surfaces. High concentration of CTAB surfactant promotes formation of gold nanograins in solution that work as precursors for the smooth anisotropic growth of more elongated nano-bipyramidal objects. Nanobipyramids feature higher index facets with respect to nanorods, allowing higher CTAB coverages that stabilize their formation and leading to narrower inter-micelles channels that smooth down their anisotropic growth. Absorption spectroscopy and scanning electron microscopy confirmed the formation of nanograins and demonstrated the importance of surfactant concentration on driving the growth towards nano-bipyramids rather than nanorods. The outcome explains the formation of the monodisperse bipyramidal nano-objects, the origin of their controlled shapes and sizes along with their remarkable stability.}, issn = {2040-3364}, doi = {10.1039/d1nr01768c}, author = {Meena, Santosh Kumar and Lerouge, Frederic and Baldeck, Patrice and Andraud, Chantal and Garavelli, Marco and Parola, Stephane and Sulpizi, Marialore and Rivalta, Ivan} } @article {47698, title = {Ozone assisted autohydrolysis of wheat bran enhances xylooligosaccharide production with low generation of inhibitor compounds: a comparative study}, journal = {Bioresource Technology}, volume = {338}, year = {2021}, month = {OCT}, pages = {125559}, type = {Article}, abstract = {In the present study, ozone assisted autohydrolysis (OAAH) was evaluated for enhanced generation of xylooligosaccharide (XOS) from wheat bran. The total XOS yield with optimum ozone dose of 3\% (OAAH-3) was found to be 8.9\% (w/w biomass) at 110 degrees C in comparison to 7.96\% at 170 degrees C by autohydrolysis (AH) alone. Although, there was no significant difference in oligomeric composition (DP 2-6), significant decrease in degradation products namely furfural (2.78-fold), HMF (3.15-fold), acrylamide (nil) and acetic acid (1.06-fold), was observed with OAAH-3 as a pretreatment option. There was 1-fold higher xylan to XOS conversion and OAAH-hydrolysate had higher DPPH radical scavenging activity than AH. PCA plots indicated clear enhancement in XOS production and lower generation of inhibitors with decrease in treatment temperature. Results of the study therefore suggest OAAH can be an effective pretreatment option that can further be integrated with downstream processing for concentration and purification of XOS.}, keywords = {Advanced oxidation, Agro-industry waste, hydrothermal treatment, Ozonolysis, Xylooligosaccharide}, issn = {0960-8524}, doi = {10.1016/j.biortech.2021.125559}, author = {Sonkar, Rutuja Murlidhar and Gade, Pravin Savata and Bokade, Vijay and Mudliar, Sandeep N. and Bhatt, Praveena} } @article {47583, title = {PEGylated ethyl cellulose micelles as a nanocarrier for drug delivery}, journal = {RSC Advances}, volume = {11}, year = {2021}, month = {NOV }, pages = {30532-30543}, type = {Article}, abstract = {Natural polymers provide a better alternative to synthetic polymers in the domain of drug delivery systems (DDSs) because of their renewability, biocompatibility, and low immunogenicity; therefore, they are being studied for the development of bulk/nanoformulations. Likewise, current methods for engineering natural polymers into micelles are in their infancy, and in-depth studies are required using natural polymers as controlled DDSs. Accordingly, in our present study, a new micellar DDS was synthesized using ethyl cellulose (EC) grafted with polyethylene glycol (PEG); it was characterized, its properties, cell toxicity, and hemocompatibility were evaluated, and its drug release kinetics were demonstrated using doxorubicin (DOX) as a model drug. Briefly, EC was grafted with PEG to form the amphiphilic copolymers EC-PEG1 and EC-PEG2 with varying PEG concentrations, and nano-micelles were prepared with and without the drug (DOX) via a dialysis method; the critical micelle concentrations (CMCs) were recorded to be 0.03 mg mL(-1) and 0.00193 mg mL(-1) for EC-PEG1 and EC-PEG2, respectively. The physicochemical properties of the respective nano-micelles were evaluated via various characterization techniques. The morphologies of the nano-micelles were analyzed via transmission electron microscopy (TEM), and the average size of the nano-micelles was recorded to be similar to 80 nm. In vitro, drug release studies were done for 48 h, where 100\% DOX release was recorded at pH 5.5 and 52\% DOX release was recorded at pH 7.4 from the micelles. In addition, cytotoxicity studies suggested that DOX-loaded micelles were potent in killing MDA-MB-231 and MCF-7 cancer cells, and the blank micelles were non-toxic toward cancerous and normal cells. A cellular uptake study via fluorescence microscopy indicated the internalization of DOX-loaded micelles by cancer cells, delivering the DOX into the cellular compartments. Based on these studies, we concluded that the developed material should be studied further via in vivo studies to understand its potential as a controlled DDS to treat cancer.}, doi = {10.1039/d1ra04242d}, author = {Singam, Amarnath and Killi, Naresh and Patel, Pratikshkumar R. and Gundloori, Rathna V. N.} } @article {47832, title = {Physicochemical and in vitro antibacterial evaluation of metronidazole loaded eudragit S-100 nanofibrous mats for the intestinal drug delivery}, journal = {Advanced Fiber Materials}, volume = {4}, year = {2021}, month = {AUG}, pages = {76-88}, type = {Article}, abstract = {

Metronidazole (MTZ) loaded Eudragit S-100 (ES-100) nonwoven nanofibrous mats were successfully electrospun and evaluated for intestinal drug delivery. MTZ was varied in the range of 1{\textendash}15\% (w/w) in ES-100 nanofibrous mats, the morphological characterization of nanofibrous mats was carried out using FE-SEM and the average diameter of nanofiber was found in the range 150{\textendash}600\ nm. WAXD and DSC demonstrated the amorphous nature of MTZ in ES-100 nanofibrous mats. Their contact angle analysis confirmed the hydrophobic nature. The mechanical strength of ES-100 nanofibrous mats decreased with increasing MTZ concentration. The drug release profiles showed 74\% MTZ release from ES-100d within 2\ h at pH 6.8 which is the colonic environment. Antibacterial activities against gram-positive bacteria (Staphylococcus aureus) and gram-negative bacteria (Escherichia coli) showed that the ES-100 nanofibrous mats loaded with MTZ exhibited good activity.

}, isbn = {2524-793X}, doi = {10.1007/s42765-021-00090-y}, author = {Rade, Priyanka P. and Giram, Prabhanjan S. and Shitole, Ajinkya A. and Sharma, Neeti and Garnaik, Baijayantimala} } @article {47718, title = {PINIR: a comprehensive information resource for Pin-II type protease inhibitors}, journal = {BMC Plant Biology}, volume = {21}, year = {2021}, month = {JUN }, pages = {267}, type = {Article}, abstract = {Background: Serine protease inhibitors belonging to the Potato type-II Inhibitor family Protease Inhibitors (Pin-II type PIs) are essential plant defense molecules. They are characterized by multiple inhibitory repeat domains, conserved disulfide bond pattern, and a tripeptide reactive center loop. These features of Pin-II type PIs make them potential molecules for protein engineering and designing inhibitors for agricultural and therapeutic applications. However, the diversity in these PIs remains unexplored due to the lack of annotated protein sequences and their functional attributes in the available databases. Results: We have developed a database, PINIR (Pin-II type PIs Information Resource), by systematic collection and manual annotation of 415 Pin-II type PI protein sequences. For each PI, the number and position for signature sequences are specified: 695 domains, 75 linkers, 63 reactive center loops, and 10 disulfide bond patterns are identified and mapped. Database analysis revealed novel subcategories of PIs, species-correlated occurrence of inhibitory domains, reactive center loops, and disulfide bond patterns. By analyzing linker regions, we predict that alternative processing at linker regions could generate PI variants in the Solanaceae family. Conclusion: PINIR (https://pinir.ncl.res.in) provides a web interface for browsing and analyzing the protein sequences of Pin-II type PIs. Information about signature sequences, spatio-temporal expression, biochemical properties, gene sequences, and literature references are provided. Analysis of PINIR depicts conserved species-specific features of Pin-II type PI protein sequences. Diversity in the sequence of inhibitory domains and reactive loops directs potential applications to engineer Pin-II type PIs. The PINIR database will serve as a comprehensive information resource for further research into Pin-II type PIs.}, keywords = {annotation, Data analysis, Database, Knowledge representation, Pin-II type protease inhibitor, Protein sequence analysis}, issn = {1471-2229}, doi = {10.1186/s12870-021-03027-0}, author = {Yadav, Nikhilesh K. and Saikhedkar, Nidhi S. and Giri, Ashok P.} } @article {47710, title = {Plasma-derived extracellular vesicles reveal galectin-3 binding protein as potential biomarker for early detection of glioma}, journal = {Frontiers in Oncology}, volume = {11}, year = {2021}, month = {NOV 26}, pages = {778754}, type = {Article}, abstract = {{Gliomas are the most common type of the malignant brain tumor, which arise from glial cells. They make up about 40\% of all primary brain tumors and around 70\% of all primary malignant brain tumors. They can occur anywhere in the central nervous system (CNS) and have a poor prognosis. The average survival of glioma patients is approximately 6-15 months with poor aspects of life. In this edge, identification of proteins secreted by cancer cells is of special interest because it may provide a better understanding of tumor progression and provide early diagnosis of the diseases. Extracellular vesicles (EVs) were isolated from pooled plasma of healthy controls (n=03) and patients with different grades of glioma (Grade I or II or III}, keywords = {blood-based biomarker, early detection, galectin-3 binding protein, plasma-derived extracellular vesicles, proteomics}, issn = {2234-943X}, doi = {10.3389/fonc.2021.778754}, author = {Rana, Rashmi and Chauhan, Kirti and Gautam, Poonam and Kulkarni, Mahesh and Banarjee, Reema and Chugh, Parul and Chhabra, Satnam Singh and Acharya, Rajesh and Kalra, Samir Kumar and Gupta, Anshul and Jain, Sunila and Ganguly, Nirmal Kumar} } @article {47088, title = {PNA-mediated efflux inhibition as a therapeutic strategy towards overcoming drug resistance in Mycobacterium smegmatis}, journal = {Microbial Pathogenesis}, volume = {151}, year = {2021}, month = {FEB}, pages = {104737}, type = {Article}, abstract = {

The emergence of antibiotic-resistant strains of Mycobacterium tuberculosis and the decelerating development of new and effective antibiotics has impaired the treatment of tuberculosis (TB). Efflux pump inhibitors (EPIs) have the potential to improve the efficacy of existing anti-TB drugs although with toxicity limitations. Peptide nucleic acids (PNAs), oligonucleotide mimics, by virtue of their high nucleic acid binding specificity have the capability to overcome this drawback. We, therefore, investigated the efflux pump inhibitory properties of a PNA designed against an efflux pump of Mycobacterium smegmatis. LfrA, an efflux pump found in M. smegmatis, is majorly involved in conferring innate drug resistance to this strain and, therefore, was selected as a target for gene silencing via PNA. qRT-PCR and EtBr assays confirmed the EPI activity of the anti-lfrA PNA. On testing the effect of the anti-lfrA PNA on the bactericidal activity of a fluoroquinolone, norfloxacin, we observed that 5 mu M of anti-lfrA PNA in combination with norfloxacin led to an enhanced killing of up to 2.5 log-fold against wild-type and a lab-generated multidrug resistant strain, exemplifying its potential in countering resistance. Improved efficacy was also observed against intra-macrophage mycobacteria, where the drug-PNA combination enhanced bacterial clearance by 1.3 log-fold. Further, no toxicity was observed with PNA concentrations up to 4 times higher than the efficacious anti-lfrA PNA concentration. Thus, PNA, as an adjuvant, presents a novel and viable approach to rejuvenate anti-TB therapeutics.

}, keywords = {Adjuvant, Antibiotic resistance, Antisense, Efflux pump, Gene silencing, Mycobacteria, Peptide nucleic acid (PNA)}, issn = {0882-4010}, doi = {10.1016/j.micpath.2021.104737}, author = {Ghosh, Saptarshi and Cotta, Karishma Berta and Hande, Aniket A. and Fernandes, Moneesha and Mehra, Sarika} } @article {47378, title = {Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies}, journal = {CrystEngComm}, volume = {23}, year = {2021}, month = {JUN}, pages = {3961-3974}, type = {Article}, abstract = {

Erlotinib, a non-small cell lung cancer BCS class II drug, was found to occur as two polymorphs and two hydrates depending on the crystallization conditions. The monohydrate (form III), which has been reported in patents and publications, is the preferred crystalline phase from solution crystallization. The other forms (polymorphs, forms I and II, and a trihydrate, form IV) are solvent and condition-specific. Form I was exclusively and reproducibly obtained from dried non-polar solvents (viz. toluene, benzene, and xylene) using a solution crystallization method under controlled conditions. In contrast, form II was obtained by the rotary evaporation technique under reduced pressure from polar solvents (viz. dichloromethane, ethyl acetate, acetone, and acetonitrile). Slow evaporation from polar and non-polar solvents under open conditions yielded form III crystals, whereas evaporation from acetone-acetonitrile-water mixtures yielded form IV crystals. DSC and variable temperature PXRD studies revealed form I to be the most stable phase while the other solid forms displayed thermally induced polymorphic transitions into form I crystals. Further, form I and form III are found to be stable over the 30-90\% RH range. Further, form I displayed solution-mediated transformation into form III (monohydrate) when left to stand in the mother liquor for a longer duration (1-2 days). Similarly, the unstable form IV crystals transformed into the stable form III crystals within 1-2 h when exposed to an open atmosphere. Fast crystallization from polar solvents using the rotary evaporation technique enabled us to capture the metastable polymorph, form II. Early separation of form I from its mother liquor prevented its solution-mediated transformation into the monohydrate, form III. The water activity study revealed that form III is the most preferred solid phase in the presence of water. Dissolution rate measurements showed that the rate of form II is almost comparable to that of the marketed erlotinib hydrochloride. In contrast, for the other forms, the dissolution profiles showed a considerable decrease. Although the crystal structures of form I and form III have been published previously, this manuscript gives a comprehensive overview of the free base solid forms of erlotinib, the phase transitions amongst them and their biopharmaceutical properties.

}, doi = {10.1039/d1ce00032b, Early Access Date = APR 2021}, author = {Thorat, Shridhar H. and George, Christy P. and Shaligram, Parth S. and Suresha, P. R. and Gonnade, Rajesh G.} } @article {47748, title = {Possible electron doping of geometrically perfect spin-1/2 kagome-lattice barlowite by reduced graphene oxide}, journal = {Physical Review B}, volume = {104}, year = {2021}, month = {SEP }, pages = {L100418}, type = {Letter}, abstract = {Doping of quantum spin liquid (QSL) insulators by electron or hole leads to intriguing phase transitions to metallic and superconducting states. The barlowite family with geometrically perfect S = 1/2 kagome planes and tunable interkagome coupling is an emerging platform to realize spin-ordered, valence bond crystal, QSL states. Theoretical investigations on electron doping revealed localized states in the band gap of barlowite unlike metallicity in cuprate (Nd2CuO4). We present successful anchoring of phase-pure barlowite crystallites onto reduced graphene oxide (rGO). The resulting barlowite-rGO system was found to be an electrical semiconductor with Arrhenius activation energy of 0.07 eV. Semiconducting properties of the barlowite-rGO system were further modulated with retention of structural integrity. We have attributed such a transformation of electrical transport response to plausible electron doping thereby making charge-doping experiments on barlowite and its analogs propitious.}, issn = {2469-9950}, doi = {10.1103/PhysRevB.104.L100418}, author = {Gupta, Kriti and Ninawe, Pranay and Jain, Anil and Dadwal, Arun and Anas, M. and Malik, V. K. and Yusuf, S. M. and Joy, Pattayil A. and Ballav, Nirmalya} } @article {47134, title = {Probiotics in the prophylaxis of COVID-19: something is better than nothing}, journal = {3 Biotech}, volume = {11}, year = {2021}, month = {JAN}, type = {Review}, abstract = {

The new viral pandemic of COVID-19 is caused by a novel coronavirus (SARS-CoV-2) that has brought the world at another unprecedented crisis in terms of health and economy. The lack of specific therapeutics necessitates other strategies to prevent the spread of infection caused by this previously unknown viral etiological agent. Recent pieces of evidence have shown an association between COVID-19 disease and intestinal dysbiosis. Probiotics comprise living microbes that upon oral administration benefit human health by reshaping the composition of gut microbiota. The close kinship of the gastrointestinal and respiratory tract suggests why the dysfunction of one may incite illness in others. The emerging studies suggest the capability of probiotics to regulate immune responses in the respiratory system. The efficacy of probiotics has been studied previously on several respiratory tract viral infections. Therefore, the purpose of this review is to comprehend existing information on the gut mediated-pulmonary immunity conferred by probiotic bacteria, in the course of respiratory virus infections and administration as a prophylactic measure in COVID-19 pandemic in managing intestinal dysbiosis as well.

}, keywords = {Anti-viral, COVID-19, Gut-lung axis, Probiotics, Respiratory tract infection}, issn = {2190-572X}, doi = {10.1007/s13205-020-02554-1}, author = {Gohil, Kushal and Samson, Rachel and Dastager, Syed and Dharne, Mahesh} } @article {47094, title = {Promoted mesoporous Fe-alumina catalysts for the non-oxidative dehydrogenation of isobutane}, journal = {Catalysis Communications}, volume = {150}, year = {2021}, month = {FEB}, pages = {106263}, type = {Article}, abstract = {

Production of isobutene is commercially consequential and highly demanding from the end-use industries being a key platform molecule as well as an intermediate for a variety of value-added chemicals. Traditionally, isobutene is prepared via steam cracking and fluid catalytic cracking methods. However, the catalysts used in these conventional methods have disadvantages like coke formation, sintering, etc. In this study, the catalytic non-oxidative dehydrogenation of isobutane over acidic, alkaline, and noble metal promoted mesoporous iron-doped catalysts was investigated. Iron doping has a significant function in controlling isobutene selectivity. The synthesis method is crucial to achieve successful metal doping in the mesoporous alumina matrix. Promoted catalysts exhibited a notable difference in isobutane conversion with a marginal change in dehydrogenation selectivity. Silver promoted catalyst showed slightly higher isobutene yield due to the optimal catalytic properties. This catalyst was stable for a considerable duration, and coke deposition, as well as particle agglomeration, were observed to faintly inhibit the catalytic activity.

}, keywords = {iron, Isobutane, Isobutene, Mesoporous alumina, Non-oxidative dehydrogenation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2020.106263}, author = {Venugopalan, Aswathy Thareparambil and Kandasamy, Prabu and Gupta, Nikitra Nihalchand and Thirumalaiswamy, Raja} } @article {47346, title = {Rapid and accurate nucleobase detection using FnCas9 and its application in COVID-19 diagnosis}, journal = {Biosensors \& Bioelectronics}, volume = {183}, year = {2021}, month = {JUL }, pages = {113207}, type = {Article}, abstract = {

Rapid detection of DNA/RNA pathogenic sequences or variants through point-of-care diagnostics is valuable for accelerated clinical prognosis, as witnessed during the recent COVID-19 outbreak. Traditional methods relying on qPCR or sequencing are tough to implement with limited resources, necessitating the development of accurate and robust alternative strategies. Here, we report FnCas9 Editor Linked Uniform Detection Assay (FELUDA) that utilizes a direct Cas9 based enzymatic readout for detecting nucleobase and nucleotide sequences without transcleavage of reporter molecules. We also demonstrate that FELUDA is 100\% accurate in detecting single nucleotide variants (SNVs), including heterozygous carriers, and present a simple web-tool JATAYU to aid end-users. FELUDA is semi-quantitative, can adapt to multiple signal detection platforms, and deploy for versatile applications such as molecular diagnosis during infectious disease outbreaks like COVID-19. Employing a lateral flow readout, FELUDA shows 100\% sensitivity and 97\% specificity across all ranges of viral loads in clinical samples within 1hr. In combination with RT-RPA and a smartphone application True Outcome Predicted via Strip Evaluation (TOPSE), we present a prototype for FELUDA for CoV-2 detection closer to home.

}, keywords = {CRISPRDx, FELUDA, FnCas9, LFA, SARS-CoV2, SNV detection}, issn = {0956-5663}, doi = {10.1016/j.bios.2021.113207}, author = {Azhar, Mohd and Phutela, Rhythm and Kumar, Manoj and Ansari, Asgar Hussain and Rauthan, Riya and Gulati, Sneha and Sharma, Namrata and Sinha, Dipanjali and Sharma, Saumya and Singh, Sunaina and Acharya, Sundaram and Sarkar, Sajal and Paul, Deepanjan and Kathpalia, Poorti and Aich, Meghali and Sehgal, Paras and Ranjan, Gyan and Bhoyar, Rahul C. and Singhal, Khushboo and Lad, Harsha and Patra, Pradeep Kumar and Makharia, Govind and Chandak, Giriraj Ratan and Pesala, Bala and Chakraborty, Debojyoti and Maiti, Souvik and Indian CoV2 Genomics Genetic Epide} } @article {47702, title = {Rationally designed, efficient, and earth-abundant Ni-Fe cocatalysts for solar hydrogen generation}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {9}, year = {2021}, month = {OCT }, pages = {13915-13925}, type = {Article}, abstract = {Developing highly efficient and affordable catalysts for solar hydrogen (H-2) generation is crucial, and employing a cocatalyst from earth-abundant elements has a critical role to play. In this context, different compositions of earth-abundant Ni-Fe alloy (1:1, 1:3, and 3:1) have been prepared by hydrothermal method; subsequently, 1 wt \% of these Ni-Fe cocatalysts were integrated with TiO2-P25 and thoroughly characterized. The resultant catalysts have been evaluated for solar H-2 production, in powder and thin film forms, under one sun condition and in direct sunlight. Interestingly, all the catalysts in the thin film form exhibit superior hydrogen yield (HY), up to 27 times higher activity than its powder counterpart. Among the photocatalysts, Ni-Fe/TiO2 (3:1 = Ni/Fe; NFT31) composition exhibits the best HY in thin film (8.27 mmol.h(-1).g(-1)) and exceeds all other compositions of catalyst. It is also to be reported that HY measured for the powder form with 1 mg shows 3-17 times higher activity than that measured with 25 mg. This is mainly attributed to effective solar light absorption with a smaller amount of photocatalyst either spread over large area in a thin film form or well-dispersed in suspension forms. Furthermore, the enhanced activity obtained with Ni-Fe/TiO2 photocatalysts is also ascribed to strong electronic integration of Ni-Fe cocatalyst with TiO2 and higher performance obtained with a thin film is attributed to increased charge carrier generation and subsequent charge separation and effective utilization. A decrease in work function of TiO2 by 0.6 eV was observed after its integration with cocatalyst in NFT31.}, keywords = {Cocatalyst, Hydrogen, Ni-Fe alloy, solar energy, TiO2, water splitting}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c05158}, author = {Tudu, Bijoy and Nalajala, Naresh and Reddy, Kasala Prabhakar and Saikia, Pranjal and Gopinath, Chinnakonda S.} } @article {47464, title = {Reactions of 2,3-dibromonaphthalene-1,4-dione and pyridyl amines: X-ray structures, DFT investigations, and selective detection of the Hg2+ and Ni2+ ions}, journal = {Engineered Science}, volume = {14}, year = {2021}, month = {FEB}, pages = {78-93}, type = {Article}, abstract = {

In this work, the products formed by the reaction between 2,3-dibromonaphthalene-1,4-dione with (pyridine-2-yl)methanamine and (pyridine-4-yl)methanamine are discussed in detial. The products 2-amino-3-bromonaphthalene-1,4-dione (A) and 2-aminonaphthalene-1,4-dione (B(1)) obtained are characterized through\ 1H and\ 13C-NMR, FTIR, mass spectrometry, single-crystal X-ray diffraction experiments, which are in conjunction with wB97X based density functional theory.\ compound\ A\ can effectively and selectively detect Hg2+\ and Ni2+\ ions, and proposes a potential mechanism of action.

}, issn = {2576-9898}, doi = {10.30919/es8d427}, author = {Aggrwal, Gunjan and Salunke-Gawali, Sunita and Gejji, Shridhar P. and Nikalje, Milind and Chakravarty, Debamitra and Verma, Prakash L. and Gosavi-Mirkute, Prajkta and Harihar, Shital and Jadhav , Mahesh and Puranik, Vedavati G.} } @article {47647, title = {Reactivities of silaimines with boranes: from cooperative B-H bond activation to donor stabilized silyl cation}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {JUL}, pages = {2133-2138}, type = {Article}, abstract = {The recently published silylene with a tris(trimethylsilyl) group, PhC(NtBu)(2)SiSi(SiMe3)(3) (1), was reacted with the organic azides such as SiMe3N3 and AdN(3) to form the respective hypersilylsilaimines, PhC(NtBu)(2)Si(=NR)Si(SiMe3)(3) 2 (R = SiMe3) and 3 (R = Ad). The B-H bond of HBpin or HBcat was split across the Si=N bond upon reaction with 2, which generated 4 and 5, respectively. However, we could not obtain the crystals of 4 and 5 appropriate for X-ray diffraction. Subsequently, we performed the analogous reactions with a related silaimine PhC(NtBu)(2)Si(=NSiMe3)N(SiMe3) 2 (2{\textquoteright}) and isolated similar B-H bond activated products 6 and 7. The reaction of 2{\textquoteright} with HBCl2 resulted in donor stabilized silyl cations (8 and 9) supported by an amidinate ligand.}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00273}, author = {Bisai, Milan Kumar and Sharma, Vishal and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47621, title = {Readily available lithium compounds as catalysts for the hydroboration of carbodiimides and esters}, journal = {Journal of Organometallic Chemistry}, volume = {949}, year = {2021}, month = {SEP 15}, pages = {121924}, type = {Article}, abstract = {Selective and efficient hydroboration of esters and carbodiimides to alcohols and amines by two welldefined and readily accessible lithium complexes, 2,6-di-tert-butyl phenolate lithium (1a ) and 1,1{\textquoteright}-dilithioferrocene (1b ) are described. A range of aliphatic, aromatic, and cyclic esters with various functional groups were selectively converted into the corresponding boronate esters. Similarly, the single hydroboration of carbodiimides with aliphatic and aromatic substituents on the nitrogen atoms was studied. A possible mechanistic pathway of the hydroboration of carbodiimides with HBpin has been proposed using NMR studies and DFT calculations. These reactions are convenient alternatives to stoichiometric hydride reduction or hydrogenation. The employing of lithium complexes is also significant, because of the need to find cheap and green alternatives to noble metal complexes. (C) 2021 Elsevier B.V. All rights reserved.}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2021.121924}, author = {Bisai, Milan Kumar and Gour, Kritika and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47821, title = {Recent advances in liquid organic hydrogen carriers: an alcohol-based hydrogen economy}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {NOV}, pages = {14712-14726}, type = {Article}, abstract = {Energy storage and the use of abundantly available feedstock without contributing to the carbon footprint are two significant global challenges. In this regard, the development of high-performance, low-cost, sustainable, and environmentally friendly energy storage and production systems is crucial to fulfill the growing energy demands of the current society. The use of hydrogen will diversify energy sources as it significantly reduces greenhouse gas emissions and environmental pollution during energy conversion. Although the hydrogen economy is quite beneficial, hydrogen storage is still very challenging, and the existing methods suffer from a lot of problems and drawbacks. The conventional liquefaction and compression hydrogen storage technologies are associated with several challenges, including low storage density, boil-off losses, relatively high costs, and safety and transportation concerns. In recent years, liquid organic hydrogen carrier (LOHC) systems have attained a lot of importance as a substitute for the traditional storage methods. Hydrogen storage and transport using LOHCs are based on two-step cycles, such as (i) loading/storage of hydrogen by catalytic hydrogenation of H2-lean compounds and (ii) unloading/releasing hydrogen by dehydrogenating the resulting H2-rich liquids. Since alcohols are widely accessible from various industrial processes or even from biomass-derived precursors, the catalytic acceptorless dehydrogenation of alcohols is an attractive approach for future hydrogen storage applications. Hence, the catalytic dehydrogenation-hydrogenation of alcohols can be used for the development of alcohol-based LOHC systems which are economical, safe, and easy to handle. Further, they are similar to crude oils under ambient conditions and thus are suitable for use in the current energy infrastructure. This Review covers several essential aspects of these developing efficient and abundantly available LOHC systems for efficient hydrogen storage and transport applications. Additionally, reversible LOHC systems based on the catalytic dehydrogenation-hydrogenation of alcohols and their corresponding carbonyl compounds have been discussed.}, doi = {10.1021/acscatal.1c03283}, url = {https://doi.org/10.1021/acscatal.1c03283}, author = {Yadav, Vinita and Sivakumar, Ganesan and Gupta, Virendrakumar and Balaraman, Ekambaram} } @article {47612, title = {Replacement of loop residues in TBA by an abasic ethylene glycol spacer: effect on stability, structure and function**}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {OCT }, pages = {10648-10650}, type = {Article}, abstract = {This article describes the synthesis of ethyleneglycol (E) phosphoramidite and its incorporation into the thrombin binding aptamer (TBA) sequence at loop positions. Circular dichroism (CD) study revealed no major disturbances in the secondary structure of TBA by the abasic E unit and the derived oligomers exhibited a typical antiparallel chair-like conformation similar to that of TBA. UV and CD spectroscopy, together with anti-coagulation and HPLC studies revealed that although nuclease stability was enhanced, and anti-coagulation reasonably good, the thermal stability of the quadruplexes was adversely affected.}, keywords = {aptamers, clotting time, ethylene glycol spacer, G-quadruplexes, nuclease stability}, issn = {2365-6549}, doi = {10.1002/slct.202102269}, author = {Wagh, Atish A. and Ghalawat, Monika and Fernandes, Moneesha} } @article {47788, title = {Review on bio-inspired synthesis of silver nanoparticles: their antimicrobial efficacy and toxicity}, journal = {Engineered Science}, volume = {16}, year = {2021}, month = {JUN}, pages = {90-128}, type = {Review Paper}, abstract = {Silver nanoparticles are one of the most studied compounds in materials science due to their antimicrobial efficacies and, for instance, in photocatalysis, dye-sensitised solar cells, and biomedical devices. However, conventional methods of synthesis of silver nanoparticles (AgNPs) require hazardous and costly chemicals, and a large amount of energy is expended. In this review, efforts have been made to target where eco-friendly synthetic techniques are being conducted using various plant extract to develop nanoparticles in inexpensive, easily scaled up, and environmentally benign. These findings are stimulated intense research activities that focused on synthesis, modification, properties, and applications of these ecofriendly nanoparticles. This review covers all these aspects, such as the biological routes for the synthesis of nanoparticles employed to synthesis the nano-silver using algae, bacteria, plants, fungi, etc. Also, the chemical positions and possible traditional uses of the plants are enlisted.\ }, issn = {2576-9898}, doi = {10.30919/es8d479}, url = {http://dx.doi.org/10.30919/es8d479}, author = {Prasad, S.R. and Teli, S.B. and Ghosh, J. and Prasad, N.R. and Shaikh, V. S. and Nazeruddin, G.M. and Al-Sehemi, Abdullah G. Al and Patel, Imran and Shaikh, Y.I.} } @article {47634, title = {Role of metal-support interaction for atmospheric pressure CO2 hydrogenation over Pd/(Ti)-SBA-15 catalyst: effect of titanium composition on products selectivity}, journal = {Molecular Catalysis}, volume = {511}, year = {2021}, month = {JUL}, pages = {111732}, type = {Article}, abstract = {The potential role of metal-support interaction for tuning the product selectivity during atmospheric pressure CO2 hydrogenation has been demonstrated on Pd/(Ti)-SBA-15 catalyst. Highly dispersed Pd NPs on SBA-15 (Pd/ SBA-15) was synthesized and further modified with titanium of varying composition. Comparison of catalytic activity of Pd/Ti-SBA-15 with its counterparts (Pd/SBA-15 and Pd/TiO2) illustrated the significance of strong PdTi interface in this catalyst and its role in tuning the product selectivity of CO2 hydrogenation. The generation of an ample amount of oxygen vacancies in the Pd/Ti-SBA-15 catalyst with maximum metallic Pd sites in close vicinity of Ti is proposed to boost the CO2 hydrogenation activity.}, keywords = {CO2 hydrogenation, Metal-support interaction, Modified deposition precipitation, oxygen vacancies, Titanosilicates}, issn = {2468-8231}, doi = {10.1016/j.mcat.2021.111732}, author = {Soni, Yogita and Gupta, Sharad and Vinod, C. P.} } @article {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 {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 {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 {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 {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 {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 {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 {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 {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 {47055, title = {Toward pH independent oxygen reduction reaction by polydopamine derived 3D interconnected, iron carbide embedded graphitic carbon}, journal = {ACS Applied Materials \& Interfaces}, volume = {13}, year = {2021}, month = {FEB }, pages = {8147-8158}, type = {Article}, abstract = {

Recent advancements on the development of nonprecious electrocatalysts with iron (Fe) incorporated active centers have generated confidence on realizing cost-effective proton exchange membrane fuel cells (PEMFCs). However, most of these catalysts that emerged as a substitution for the platinum supported on carbon (Pt/C) catalysts in oxygen reduction reaction (ORR) are active under basic conditions, and their feasibility in PEMFCs remains as a challenge. In this scenario, this work reports the synthesis of a Pt-free oxygen reduction electrocatalyst prepared by the annealing of polydopamine grown melamine foam. The prepared catalyst has a three-dimensional (3D) interconnected bilayer network structure possessing the carbon nitride backbone wrapped by graphitic carbon layer bearing iron carbides and nitrides as the active centers (3DFePDC). Interestingly, the 3D-FePDC catalyst displayed an ORR activity both under acidic and basic conditions. Whereas the ORR performance of 3D-FePDC closely matches that of the commercial Pt/C in the basic medium, it displays only a low overpotential value of 60 mV under acidic conditions compared to its Pt counterpart. The kinetics of ORR on 3DFePDC is found to be similar to the four-electron (4e) reduction pathway displayed by Pt/C. Testing of a PEMFC in a single cell mode by using 3D-FePDC as the cathode catalyst and Nafion membrane delivered a maximum power density of 278 mW cm(-2), which is a promising value expected from a system based on the nonprecious metal cathode. Ultimately, as a cost-effective catalyst that can effectively perform irrespective of the pH conditions, 3D-FePDC offers significant prospects in the areas like fuel cells and metal-air batteries which work in acidic and/or basic conditions.

}, keywords = {acidic medium, electrocatalyst, fuel cell, graphitic carbon, Iron carbide, nitrogen doping, nonprecious metal, oxygen reduction reaction}, issn = {1944-8244}, doi = {10.1021/acsami.0c18036}, author = {Gangadharan, Pranav K. and Pandikassala, Ajmal and Kurungot, Sreekumar} } @article {47584, title = {Trace metals in cellular metabolism and their impact on recombinant protein production}, journal = {Process Biochemistry}, volume = {110}, year = {2021}, month = {NOV}, pages = {251-262}, type = {Review}, abstract = {Replacement of serum and increasing use of chemically defined media demands optimisation of trace metal components for biomanufacturing applications. Trace metal availability can impact culture performance, productivity and product quality. Several trace metals are cofactors of metabolic and other enzymes, and thus their availability regulates cellular metabolism. Additionally, they can also affect the availability of other trace metals and stability of some medium components. Such factors also need to be considered while formulating trace metal concentrations in the culture medium. Due to their very low concentrations, these components are susceptible to substantial variability arising from contaminants from other raw material and leaching from process equipment and can contribute to process variability. Understanding the role and impact of trace metals will help develop strategies to achieve targeted process parameters and increase process robustness vis-{\textquoteleft}a-vis any lot-to-lot variability in trace metal concentration in culture medium. This review describes the role of trace metals, particularly manganese, copper and zinc, in central carbon metabolism to aid in understanding the basis of metal-mediated effects on culture performance and provides a comprehensive review of the reported impact of trace metals on CHO cell culture performance and recombinant protein quality.}, keywords = {Chinese hamster ovary cells, glycosylation, Medium formulation, Process variability, Product quality, Recombinant proteins, Trace metals}, issn = {1359-5113}, doi = {10.1016/j.procbio.2021.08.006}, author = {Prabhu, Anuja and Gadgil, Mugdha} } @article {47604, title = {Transition of a deep eutectic solution to aqueous solution: a dynamical perspective of the dissolved solute}, journal = {Journal of Physical Chemistry Letters}, volume = {12}, year = {2021}, month = {SEP}, pages = {8784-8789}, type = {Article}, abstract = {Disruption of the deep eutectic solvent (DES) nanostructure around the dissolved solute upon addition of water is investigated by polarization-selective two-dimensional infrared spectroscopy and molecular dynamics simulations. The heterogeneous DES nanostructure around the solute is partially retained up to 41 wt \% of added water, although water molecules are gradually incorporated in the solute{\textquoteright}s solvation shell even at lower hydration levels. Beyond 41 wt \%, the solute is observed to be preferentially solvated by water. This composition denotes the upper hydration limit of the deep eutectic solvent above which the solute senses an aqueous solvation environment. Interestingly, our results indicate that the transition from a deep eutectic solvation environment to an aqueous one around the dissolved solute can happen at a hydration level lower than that reported for the {\textquoteleft}{\textquoteleft}water in DES{\textquoteright}{\textquoteright} to {\textquoteleft}{\textquoteleft}DES in water{\textquoteright}{\textquoteright} transition.}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.1c02118}, author = {Sakpal, Sushil S. and Deshmukh, Samadhan H. and Chatterjee, Srijan and Ghosh, Deborin and Bagchi, Sayan} } @article {47064, title = {Triazine-based janus G-C nucleobase as a building block for self-assembly, peptide nucleic acids, and smart polymers}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {FEB }, pages = {3186-3195}, type = {Article}, abstract = {

This communication reports on the utility of a triazine-based self-assembling system, reminiscent of a Janus G-C nucleobase, as a building block for developing (1) supramolecular polymers, (2) peptide nucleic acids (PNAs), and (3) smart polymers. The strategically positioned self-complementary triple H-bonding arrays DDA and AAD facilitate efficient self-assembly, leading to a linear supramolecular polymer.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c02530}, author = {Meena, Chhuttan L. and Singh, Dharmendra and Kizhakeetil, Bhavya and Prasad, Manasa and George, Malini and Tothadi, Srinu and Sanjayan, Gangadhar J.} } @article {47670, title = {Ultrasound assisted curcumin recovery from Curcuma aromatica: understanding the effect of different operating parameters}, journal = {Chemical Engineering and Processing-Process Intensification}, volume = {169}, year = {2021}, month = {DEC}, pages = {108604}, type = {Article}, abstract = {The present study deals with intensified extraction of curcumin from Curcuma aromatica by employing ultrasound-assisted extraction (UAE) approach also elucidating comparison with the conventional batch extraction to highlight the intensification benefits based on the usage of ultrasound. Understanding into the effect of operational parameters like type of solvent, extraction temperature, solid to solvent ratio and raw material size distribution as well as the equipment operating conditions as frequency and power on the extraction yield has been developed. Based on the results for extraction yield, the optimum conditions for UAE approach were 40 degrees C as temperature, 1:30 as solid to solvent ratio, 0.09 mm as the mean particle size, 240 W as ultrasonic power, 22 kHz as ultrasonic frequency and ethanol as the most suitable solvent. Under these optimum conditions, the highest extraction yield of 73.18\% was achieved in 2 h whereas batch extraction for 14 h resulted in 52.31\% yield clearly demonstrating the intensification due to ultrasound. Peleg{\textquoteright}s model was applied to explain the extraction kinetics of curcumin and the proposed model satisfactorily predicted the rates of extraction of cur cumin. Overall, UAE proved to be a better technique in terms of lesser time, lesser heating requirement and additional extraction yield.}, keywords = {Cavitation, Curcuma aromatica, curcumin, Intensification, Kinetic modelling, Ultrasound assisted extraction}, issn = {0255-2701}, doi = {10.1016/j.cep.2021.108604}, author = {Shirsath, Sachin R. and Sable, Sunil S. and Gaikwad, Shashank G. and Gogate, Parag R.} } @article {47654, title = {Unsymmetrical sp(2)-sp(3) disilenes}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {SEP }, pages = {20706-20710}, type = {Article}, abstract = {Disilenes with differently coordinated silicon atoms are not known. Here, we have shown the high yield synthesis of a range of disilenes (2-4 and 6) upon reaction of a hypersilyl silylene PhC(NtBu)(2)SiSi(SiMe3)(3) (1) with aliphatic chlorophosphines. The most striking characteristic of these disilenes is the presence of two differently coordinated Si atoms (one is three-coordinated, the other four-coordinated). The analogous reaction with Ph2PCl did not afford the desired disilene, but, surprisingly, led to the first tetraphosphinosilane (8). DFT calculations were performed to understand the bonding in disilenes and differences in reactivity of the complexes.}, keywords = {chlorophosphine, DFT, disilene, hypersilylsilylene}, issn = {1433-7851}, doi = {10.1002/anie.202107847}, author = {Bisai, Milan Kumar and Das, Tamal and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47076, title = {Utilizing the oxygen carrier property of cerium iron oxide for the low-temperature synthesis of 1,3-butadiene from 1-butene}, journal = {Catalysis Letters}, volume = {151}, year = {2021}, month = {OCT}, pages = {3057-3066}, type = {Article}, abstract = {

Low-temperature oxidative dehydrogenation (ODH) of 1-butene to 1,3-butadiene is one of the challenging reactions in the polymer industry. Towards this a highly dispersed cerium iron oxide was synthesized by citrate gel combustion method and employed for the synthesis of 1,3-butadiene (BD) from 1-butene. The reaction was carried out at low temperature under an oxygen-free atmosphere in a continuous flow mode fixed bed reactor. A decrease in the lattice parameters observed from PXRD and high-resolution TEM analysis proved that iron occupies cerium sites in the crystal lattice. XPS, TPR, and oxygen uptake studies quantified the nature and abundance of different oxygen species. ODH was observed through consuming lattice oxygens. The vacancies generated could be filled by re-oxidation with an external supply of oxygen which will restore the catalytic activity demonstrating the Mars van Krevelen mechanism. [GRAPHICS] .

}, keywords = {1, 1-butene, 3-butadiene, Cerium, iron, Lattice oxygen, oxidative dehydrogenation}, issn = {1011-372X}, doi = {10.1007/s10562-020-03512-5, Early Access Date = FEB 2021}, author = {Venugopalan, Aswathy T. and Kandasamy, Prabu and Gogoi, Pranjal and Ratneshkumar, Jha and Thirumalaiswamy, Raja} } @article {47112, title = {Web-gLV: a web based platform for lotka-volterra based modeling and simulation of microbial populations (vol 10, 288, 2019)}, journal = {Frontiers in Microbiology}, volume = {11}, year = {2021}, month = {JAN }, pages = {605308}, type = {Correction}, keywords = {lotka-volterra, microbial population, Microbiome, Modeling, numerical-simulation, time-series, visualization, web-server}, issn = {1664-302X}, doi = {10.3389/fmicb.2020.605308}, author = {Kuntal, Bhusan K. and Gadgil, Chetan and Mande, Sharmila S.} } @article {48228, title = {2-oxoglutarate-dependent dioxygenases drive expansion of steroidal alkaloid structural diversity in the genus Solanum}, journal = {New Phytologist}, volume = {234}, year = {2022}, month = {MAY}, pages = {1394-1410}, type = {Article}, abstract = {

Solanum steroidal glycoalkaloids (SGAs) are renowned defence metabolites exhibiting spectacular structural diversity. Genes and enzymes generating the SGA precursor pathway, SGA scaffold and glycosylated forms have been largely identified. Yet, the majority of downstream metabolic steps creating the vast repertoire of SGAs remain untapped. Here, we discovered that members of the 2-OXOGLUTARATE-DEPENDENT DIOXYGENASE (2-ODD) family play a prominent role in SGA metabolism, carrying out three distinct backbone-modifying oxidative steps in addition to the three formerly reported pathway reactions. The GLYCOALKALOID METABOLISM34 (GAME34) enzyme catalyses the conversion of core SGAs to habrochaitosides in wild tomato S. habrochaites. Cultivated tomato plants overexpressing GAME34 ectopically accumulate habrochaitosides. These habrochaitoside enriched plants extracts potently inhibit Puccinia spp. spore germination, a significant Solanaceae crops fungal pathogen. Another 2-ODD enzyme, GAME33, acts as a desaturase (via hydroxylation and E/F ring rearrangement) forming unique, yet unreported SGAs. Conversion of bitter alpha-tomatine to ripe fruit, nonbitter SGAs (e.g. esculeoside A) requires two hydroxylations; while the known GAME31 2-ODD enzyme catalyses hydroxytomatine formation, we find that GAME40 catalyses the penultimate step in the pathway and generates acetoxy-hydroxytomatine towards esculeosides accumulation. Our results highlight the significant contribution of 2-ODD enzymes to the remarkable structural diversity found in plant steroidal specialized metabolism.

}, keywords = {Solanum, specialized metabolism, steroidal glycoalkaloids (SGAs), structural diversity, Tomato}, issn = {0028-646X}, doi = {10.1111/nph.18064}, author = {Sonawane, Prashant D. and Jozawiak, Adam and Barbole, Ranjit and Panda, Sayantan and Abebie, Bekele and Kazachkova, Yana and Gharat, Sachin A. and Ramot, Ofir and Unger, Tamar and Wizler, Guy and Meir, Sagit and Rogachev, Ilana and Doron-Faigenboim, Adi and Petreikov, Marina and Schaffer, Arthur and Giri, Ashok P. and Scherf, Tali and Aharoni, Asaph} } @article {47425, title = {Advanced genome editing strategies for manipulation of plant specialized metabolites pertaining to biofortification}, journal = {Phytochemistry Reviews}, volume = {21}, year = {2022}, month = {FEB}, pages = {81-99}, type = {Article}, abstract = {

Emerging trends in molecular biology have progressed the knowledge of plant specialized metabolites with respect to diversity in structure, function and biosynthetic pathways. Being powerful genome-editing tools, Zinc Finger Nuclease, Transcription Activator-Like Effector Nuclease, and Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR) systems have found potential application in genome and epigenome engineering. CRISPR/Cas9 is being used for studying the functions of multiple genes and gene families in plants. Our analysis suggests that although a rapid progress has occurred for utilization of CRISPR/Cas9 tool in crop improvement, limited studies are available for its application in manipulation of gene clusters of useful specialized metabolites in plants. In this review, after describing briefly about the recent advancements in genome editing techniques, we have further discussed their applicability in the modulation of metabolite production and biofortification of food crops. We have also emphasized the importance of CRISPR/Cas9-based targeted deletion of larger chromosomal fragments or gene clusters towards value addition of crop plants. The current policies for CRISPR/Cas9-edited crop plants in different countries and their acceptability in market place is also discussed. We propose that advanced genome editing techniques, including a multiplex CRISPR/Cas9 system could serve as a versatile tool for rewiring of metabolite gene clusters and improving the levels of useful metabolites in plants.

}, keywords = {Cas9, Chromosomal fragment, CRISPR, Gene cluster, Genome editing, Plant specialized metabolites}, issn = {1568-7767}, doi = {10.1007/s11101-021-09749-1}, author = {Bhambhani, Sweta and Kondhare, Kirtikumar R. and Giri, Ashok P.} } @article {48221, title = {Algal biomass-loaded hydrogel scaffolds as a biomimetic platform with antibacterial and wound healing activities}, journal = {ACS Applied Polymer Materials}, volume = {4}, year = {2022}, month = {AUG}, pages = {5800-5812}, type = {Article}, abstract = {

The confluence of hydrogel scaffolds and dried algal biomass (AB), consisting of all the bioactive compounds, offers the possibility to facilitate wound healing while simultaneously instilling antibacterial benefits. For this purpose, a single-step synthesis of algal (Chlorella sorokiniana) biomass-loaded hydrogel scaffolds (AHS) was achieved. C. sorokiniana has been used in different areas for several years and has proved attractive to the pharmaceutical and cosmetic industries. Of note, the presence of phytochemicals and various bioactive compounds provides an added health benefit. Hitherto, we report AHS with accelerated wound healing along with potent anti-inflammatory and antibacterial properties. AHS consisting of different concentrations of AB was applied for 14 days on excisional wounds in mice. Microscopic analyses, assessment of proinflammatory and anti-inflammatory cytokines, and histological studies were performed to investigate wound healing. These scaffolds were extensively characterized and studied using Fourier transform infrared, X-ray diffraction, Raman, atomic force microscopy, transmission electron microscopy, scanning electron microscopy, swelling, rheological, thermal, and mechanical analyses. AHS have excellent biocompatibility in addition to significant antibacterial activity against Escherichia coli (99\%) and Staphylococcus aureus (98\%). We believe that the as-synthesized AHS have the potential to broaden the arsenal of more effective wound healing processes along with antibacterial activities.

}, keywords = {antibacterial activity, Biomass, hydrogel scaffold, microalgae, wound Healing}, issn = {2637-6105}, doi = {10.1021/acsapm.2c00722}, author = {Agarwal, Aakanksha and Kumar, Arun and Garg, Piyush and Chakraborty, Arnab and Verma, Ranjan and Sarwat, Maryam and Gupta, Ajay and Sasmal, Pijus K. and Verma, Yogesh Kumar and Chowdhury, Chiranjit and Mukherjee, Monalisa} } @article {47766, title = {Alternative splicing modulation mediated by G-quadruplex structures in MALAT1 lncRNA}, journal = {Nucleic Acids Research}, volume = {50}, year = {2022}, month = {JAN}, pages = {378-396}, type = {Article}, abstract = {MALAT1, an abundant lncRNA specifically localized to nuclear speckles, regulates alternative-splicing (AS). The molecular basis of its role in AS remains poorly understood. Here, we report three conserved, thermodynamically stable, parallel RNAG-quadruplexes (rG4s) present in the 3{\textquoteright} region of MALAT1 which regulates this function. Using rG4 domain-specific RNA-pull-down followed by mass-spectrometry, RNA-immuno-precipitation, and imaging, we demonstrate the rG4 dependent localization of Nucleolin (NCL) and Nucleophosmin (NPM) to nuclear speckles. Specific G-to-A mutations that abolish rG4 structures, result in the localization loss of both the proteins from speckles. Functionally, disruption of rG4 in MALAT1 phenocopies NCL knockdown resulting in altered pre-mRNA splicing of endogenous genes. These results reveal a central role of rG4s within the 3{\textquoteright} region of MALAT1 orchestrating AS.}, issn = {0305-1048}, doi = {10.1093/nar/gkab1066}, author = {Ghosh, Arpita and Pandey, Satya Prakash and Ansari, Asgar Hussain and Sundar, Jennifer Seematti and Singh, Praveen and Khan, Yasmeen and Ekka, Mary Krishna and Chakraborty, Debojyoti and Maiti, Souvik} } @article {48093, title = {Assembly, annotation, and comparative whole genome sequence of fusarium verticillioides isolated from stored maize grains}, volume = {11}, year = {2022}, month = {JUL}, pages = {810}, type = {Article}, abstract = {

Fusarium verticillioides is a plant pathogenic fungus affecting a wide range of crops worldwide due to its toxigenic properties. F. verticillioides BIONCL4 strain was isolated from stored maize grain samples in India, and produces high amount of fumonisin B1 (FB1). We report a comparative genomic analysis of F. verticillioides, covering the basic genome information, secretome, and proteins involved in host-pathogen interactions and mycotoxin biosynthesis. Whole-genome sequencing (WGS) was performed using the Illumina platform with an assembly size of 42.91 Mb, GC content of 48.24\%, and 98.50\% coverage with the reference genome (GCA000149555). It encodes 15,053 proteins, including 2058 secretory proteins, 676 classical secretory proteins, and 569 virulence and pathogenicity-related proteins. There were also 1447 genes linked to carbohydrate active enzymes (CaZymes) and 167 genes related to mycotoxin production. Furthermore, F. verticillioides genome comparison revealed information about the species{\textquoteright} evolutionary history. The overall study helps in disease prevention and management of mycotoxins to ensure food safety.

}, keywords = {comparative genomics, Fusarium verticillioides, mycotoxin biosynthesis, plant-pathogen interaction, Secretome, whole-genome sequencing}, doi = {10.3390/pathogens11070810}, author = {Navale, Vishwambar D. and Sawant, Amol M. and Gowda, Varun U. and Vamkudoth, Koteswara Rao} } @article {48379, title = {Association-dissociation dynamics of ionic electrolytes in low dielectric medium}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {JAN}, pages = {239-248}, type = {Article}, abstract = {

Ionic electrolytes are known to form various complexes which exist in dynamic equilibrium in a low dielectric medium. However, structural characterization of these complexes has always posed a great challenge to the scientific community. An additional challenge is the estimation of the dynamic association-dissociation time scales (lifetime of the complexes), which are key to the fundamental understanding of ion transport. In this work, we have used a combination of infrared absorption spectroscopy, two-dimensional infrared spectroscopy, molecular dynamics simulations, and density functional theory calculations to characterize the various ion complexes formed by the thiocyanate-based ionic electrolytes as a function of different cations in a low dielectric medium. Our results demonstrate that thiocyanate is an excellent vibrational reporter of the heterogeneous ion complexes undergoing association-dissociation dynamics. We find that the ionic electrolytes exist as contact ion pairs, dimers, and clusters in a low dielectric medium. The relative ratios of the various ion complexes are sensitive to the cations. In addition to the interactions between the thiocyanate anion and the countercation, the solute-solvent interactions drive the dynamic equilibrium. We have estimated the association-dissociation dynamics time scales from two-dimensional infrared spectroscopy. The exchange time scale involving the cluster is faster than that between a dimer and an ion pair. Moreover, we find that the dynamic equilibrium between the cluster and another ion complex is correlated to the solvent fluctuations.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c08613}, author = {Ghosh, Deborin and Sakpal, Sushil S. and Chatterjee, Srijan and Deshmukh, Samadhan H. and Kwon, Hyejin and Kim, Yung Sam and Bagchi, Sayan} } @article {48172, title = {Bioinspired hyaluronic acid based nanofibers immobilized with 3, 4-difluorobenzylidene curcumin for treating bacterial infections}, journal = {Journal of Drug Delivery Science and Technology}, volume = {74}, year = {2022}, month = {AUG}, pages = {103480}, type = {Article}, abstract = {

Curcumin (Cur) is a natural polyphenol with multifaceted pharmacological functions, exploited extensively for biomedical applications. Traditionally curcumin is being used as an antimicrobial agent. However, to improvise the pharmacological properties, it is being modified synthetically. One of such modified Cur is 3, 4- difluorobenzylidene curcumin (CDF) which is aimed for enhancing the anti-cancer properties. Though there are reports on the studies of anti-cancer properties involving CDF, the anti-bacterial property is yet to be demonstrated. Accordingly, in our studies, we prepared bioinspired hyaluronic acid blends immobilized with CDF and fabricated non-woven nanofiber mats. These nanofiber mats were characterized and demonstrated in vitro cell culture studies, which involved cell viability, hemolysis, anti-bacterial and cell scratch assay to understand their efficacy in treating bacteria. The molecular docking studies of CDF and Cur were performed on the dihydrofolate reductase (DHFR) enzyme receptor, which is an essential protein of S.auerus (Staphylococcus aureus). The results of MTT (3-(4,5-Dimethylthiazol-2-yl)-2,5-Diphenyltetrazolium Bromide) assay, and hemolysis of the respective nanofiber mats with Cur and CDF showed non-toxicity and were compatible with blood cells. Further, the cell proliferation and adherence recorded \>60\% fibroblast cells for the nanofiber mats. The anti-bacterial property of Cur and CDF was similar. The in vitro release studies for the respective Cur and CDF loaded nanofiber mats recorded a release of 25 and 37\%, respectively. From these studies, we concluded that the CDF sustained its antibacterial property in addition to the improved anti-cancer property; hence CDF being synergetic, it will have a better scope in cancer therapy.

}, keywords = {anti-bacterial, curcumin, nanofibers, tissue engineering, wound Healing}, issn = {1773-2247}, doi = {10.1016/j.jddst.2022.103480}, author = {Patel, Pratikshkumar R. and Singam, Amarnath and Iyer, Arun K. and Gundloori, Rathna Venkata Naga} } @article {47995, title = {Blend of neem oil based polyesteramide as magnetic nanofiber mat for efficient cancer therapy}, journal = {Journal of Drug Delivery Science and Technology}, volume = {75}, year = {2022}, month = {SEP}, pages = {103629}, type = {Article}, abstract = {

Stearic acid-coated magnetic nanoparticles (SMN) and FU (5-Fluorouracil) were immobilized in the blends of neem oil-based polyesteramide and fabricated as nanofiber mat (NM) for controlled release of FU under the influence of an external magnetic field for targeted drug delivery to treat cancer efficiently. Analyzed the surface morphology of the fibers using E-SEM, it was observed that the fibers were smooth with the diameter ranging from 250 to 450 nm. TEM studies showed the uniform distribution of SMN in the nanofibers. The physico-chemical properties of NM and raw materials were analyzed using FTIR, TGA, and XRD. The results suggested that the polymers were well blended. In-vitro FU release studies of the NMs recorded a significant difference in the cumulative percentage of FU release from SMN-NMs. The SMN-NMs released 95\% of FU in 4 h, whereas, NMs released 83\% of FU in 24 h. The cell viability assay for the NM was evaluated in the L929 mouse fibroblast cells, where \>75\% of cells were viable. The hemolysis assay for the developed SMN-NF showed \<5\% of hemolysis, which indicated the NMs were safe for application. The anti-cancer activity of FU loaded SMN-NF was analyzed in the MCF-7 cancer cell line, which recorded more than 50\% cell death within 24 h. From SQUID analysis, we found that the 10\% SMN were superparamagnetic in nature, the magnetization at 30 kOe was observed to be 4.3 emu/g. Based on the in vitro results, we concluded that the developed SMN-NMs are recommended for in vivo studies to understand their efficacy for the targeted drug delivery to treat cancer.

}, keywords = {5-Fluorouracil, drug release, electrospinning, Magnetic nanoparticles, nanofibers, Stearic acid}, issn = {1773-2247}, doi = {10.1016/j.jddst.2022.103629}, author = {Patel, Pratikshkumar R. and Singam, Amarnath and Dadwal, Arun and Gundloori, Rathna Venkata Naga} } @article {48192, title = {Case report: a fatal case of babesiosis in a splenectomized male patient from Western India}, journal = {American Journal of Tropical Medicine and Hygiene}, volume = {106}, year = {2022}, month = {MAY}, pages = {1421-1425}, type = {Article}, abstract = {

Human babesiosis is a rare disease, caused by Babesia species and commonly transmitted by tick bite. Although human babesiosis is known to be asymptomatic in immunocompetent hosts, clinical cases of severe babesiosis have been reported from splenectomized or immunocompromised individuals. To our knowledge, only one case of human babesiosis in India has been previously reported. Here, we report a case of severe babesiosis with high parasitemia (similar to 70\%) in a 30-year-old asplenic farmer. The patient presented with fever, yellowish discoloration of skin, oliguria, and anemia; he eventually developed multiorgan failure syndrome and died. Peripheral blood films were prepared and used to confirm the presence of piroplasms by microscopy. Total DNA isolated from blood was used for 18S ribosomal RNA gene fragment amplification by polymerase chain reaction, which was subjected to Sanger sequencing. Although 18S sequence indicated that the Babesia species infecting the patient was similar to that of other Babesia species originating from wild mammals, species identification could not be done. Phylogenetic analysis revealed that the patientderived pathogen is distinct because it forms a separate clade in the cladogram.

}, issn = {0002-9637}, doi = {10.4269/ajtmh.20-1118}, author = {Godbole, Ravi and Gaur, Avantika and Nayar, Priyanka and Kiruthiga, Kala and D{\textquoteright}Costa, Pradeep and Manchanda, Rumma and Khilari, Ajinkya and Shanmugam, Dhanasekaran and Muglikar, Kalpana D. and Kundu, Krishnendu} } @article {47706, title = {Characterized constituents of insect herbivore oral secretions and their influence on the regulation of plant defenses}, journal = {Phytochemistry}, volume = {193}, year = {2022}, month = {JAN}, pages = {113008}, type = {Article}, abstract = {For more than 350 million years, there have been ongoing dynamic interactions between plants and insects. In several cases, insects cause-specific feeding damage with ensuing herbivore-associated molecular patterns that invoke characteristic defense responses. During feeding on plant tissue, insects release oral secretions (OSs) containing a repertoire of molecules affecting plant defense (effectors). Some of these OS components might elicit a defense response to combat insect attacks (elicitors), while some might curb the plant defenses (suppressors). Few reports suggest that the synthesis and function of OS components might depend on the host plant and associated microorganisms. We review these intricate plant-insect interactions, during which there is a continuous exchange of molecules between plants and feeding insects along with the associated microorganisms. We further provide a list of commonly identified inducible plant produced defensive molecules released upon insect attack as well as in response to OS treatments of the plants. Thus, we describe how plants specialized and defense-related metabolism is modulated at innumerable phases by OS during plant-insect interactions. A molecular understanding of these complex interactions will provide a means to design eco-friendly crop protection strategies.}, keywords = {Effector, Elicitor, Herbivore insects, Oral secretion, Plant defense, Suppressor}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.113008}, author = {Kallure, Gopal S. and Kumari, Archana and Shinde, Balkrishna A. and Giri, Ashok P.} } @article {48026, title = {Choline-amino acid-derived bio-ionic liquids for solubility enhancement of zafirlukast}, journal = {AAPS Pharmscitech}, volume = {23}, year = {2022}, month = {MAY}, pages = {146}, type = {Article}, abstract = {

This study investigated the application of bio-ionic liquids (ILs) prepared from choline as cation and amino acid as anion for solubility enhancement of poorly water-soluble drug, Zafirlukast (ZFL). Herein, the solubility of ZFL in water and mixtures of water and ILs was assessed using UV spectroscopy at two temperature points 25 degrees C and 37 degrees C with increasing concentrations of IL. ZFL solubility was found to improve linearly with increasing concentration of [Ch][Pro] in water, representing 35- to 37-fold improvement in ZFL solubility at maximum concentration of [Ch][Pro] (1\% w/v) compared to when only pure water was present. Also, the effect of IL on ZFL solubility was analyzed using NMR, DSC, and TGA. These results clearly suggest that ZFL solubility was increased by forming hydrogen bonds with selected [Ch][Pro] IL. Toxicity study of ILs was tested against gram-positive and gram-negative bacteria. Since IL solvent was found to increase the solubility of ZFL, this may serve as {\textquoteleft}{\textquoteleft}functional excipient solvent{\textquoteright}{\textquoteright} for solubility enhancement in its commercialized formulations.

}, keywords = {Amino acids, choline chloride, Ionic liquid, solubility, zafirlukast}, issn = {1530-9932}, doi = {10.1208/s12249-022-02296-8}, author = {Gaikwad, Namrata and Kudal, Swapna and Avachat, Amelia M.} } @article {48009, title = {cis-aziridine synthon based synthetic investigation for tamiflu employing horner-wadsworth-emmons reaction}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {JUL }, pages = {e202200384}, type = {Article}, abstract = {

Synthetic investigations to achieve a novel intermediate of Tamiflu by using cis-aziridine as a chiral building block, which is readily synthesized from (D)-mannitol as a renewable starting material, has been presented. The present approach utilizes the intramolecular Horner-Wadsworth-Emmons reaction as the key step for the synthesis of Tamiflu. On the other hand, diene containing allylic aziridine framework is found to be inefficient to furnish the six-membered core skeleton of Tamiflu through ring-closing metathesis reaction.

}, keywords = {Aziridine, cyclization, HWE reaction, Metathesis, Tamiflu}, issn = {1434-193X}, doi = {10.1002/ejoc.202200384}, author = {Chavan, Subhash P. and Kawale, Sanket A. and Gonnade, Rajesh G.} } @article {47671, title = {Combinatorial therapy using RNAi and curcumin nano-architectures regresses tumors in breast and colon cancer models}, journal = {Nanoscale}, volume = {14}, year = {2022}, month = {JAN }, pages = {492-505}, type = {Article}, abstract = {Cancer is a debilitating disease and one of the leading causes of death in the world. In spite of the current clinical management being dependent on applying robust pathological variables and well-defined therapeutic strategies, there is an imminent need for novel and targeted therapies with least side effects. RNA interference (RNAi) has gained attention due to its precise potential for targeting multiple genes involved in cancer progression. Nanoparticles with their enhanced permeability and retention (EPR) effect have been found to overcome the limitations of RNAi-based therapies. With their high transportation capacity, nanocarriers can target RNAi molecules to tumor tissues and protect them from enzymatic degradation. Accumulating evidence has shown that tyrosine kinase Ephb4 is overexpressed in various cancers. Therefore, we report here the development and pre-clinical validation of curcumin-chitosan-loaded: eudragit-coated nanocomposites conjugated with Ephb4 shRNA as a feasible bio-drug to suppress breast and colon cancers. The proposed bio-drug is non-toxic and bio-compatible with a higher uptake efficiency and through our experimental results we have demonstrated the effective site-specific delivery of this biodrug and the successfull silencing of their respective target genes in vivo in autochthonous knockout models of breast and colon cancer. While mammary tumors showed a considerable decrease in size, oral administration of the biodrug conjugate to Apc knockout colon models prolonged the animal survival period by six months. Hence, this study has provided empirical proof that the combinatorial approach involving RNA interference and nanotechnology is a promising alliance for next-generation cancer therapeutics.}, issn = {2040-3364}, doi = {10.1039/d1nr04411g}, author = {Kumar, Aviral and Singam, Amarnath and Swaminathan, Guruprasadh and Killi, Naresh and Tangudu, Naveen Kumar and Jose, Jedy and Gundloori, Rathna V. N. and Kumar, Lekha Dinesh} } @article {48213, title = {Concerted effect of Ni-in and S-out on ReS2 nanostructures towards high-efficiency oxygen evolution reaction}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {MAR}, pages = {3689-3692}, type = {Article}, abstract = {

Herein, a one-step hydrothermal reaction is developed to synthesize a Ni-doped ReS2 nanostructure with sulphur defects. The material exhibited excellent OER activity with a current density of 10 mA cm(-2) at an overpotential of 270 mV, a low Tafel slope of 31 mV dec(-1), and good long-term durability of 10 h in 1 M KOH. It shows high faradaic efficiency of 96\%, benefiting from the rapid charge transfer caused by the concerted effect of Ni-in and S-out on the ReS2 nanostructure.

}, issn = {1359-7345}, doi = {10.1039/d1cc07030d}, author = {Das, Tapas K. and Ping, Tapan and Mohapatra, Manoj and Anwar, Shahid and Gopinath, Chinnakonda S. and Jena, Bikash Kumar} } @article {48207, title = {Copper(II) import and reduction are dependent on His-Met clusters in the extracellular amino terminus of human copper transporter-1}, journal = {Journal of Biological Chemistry}, volume = {298}, year = {2022}, month = {MAR}, pages = {101631}, type = {Article}, abstract = {

Copper(I) is an essential metal for all life forms. Though Cu(II) is the most abundant and stable state, its reduction to Cu(I) via an unclear mechanism is prerequisite for its bioutilization. In eukaryotes, the copper transporter-1(CTR1) is the primary high-affinity copper importer, although its mechanism and role in Cu(II) reduction remain uncharacterized. Here we show that extracellular amino-terminus of human CTR1 contains two methionine-histidine clusters and neighboring aspartates that distinctly bind Cu(I) and Cu(II) preceding its import. We determined that hCTR1 localizes at the basolateral membrane of polarized MDCK-II cells and that its endocytosis to Common-Recycling-Endosomes is regulated by reduction of Cu(II) to Cu(I) and subsequent Cu(I) coordination by the methionine cluster. We demonstrate the transient binding of both Cu(II) and Cu(I) during the reduction process is facilitated by aspartates that also act as another crucial determinant of hCTR1 endocytosis. Mutating the first Methionine cluster ((7)Met-Gly-Met(9)) and Asp(13)( )abrogated copper uptake and endocytosis upon copper treatment. This phenotype could be reverted by treating the cells with reduced and nonreoxidizable Cu(I). We show that histidine clusters, on other hand, bind Cu(II) and are crucial for hCTR1 functioning at limiting copper. Finally, we show that two N-terminal His-Met-Asp clusters exhibit functional complementarity, as the second cluster is sufficient to preserve copper-induced CTR1 endocytosis upon complete deletion of the first cluster. We propose a novel and detailed mechanism by which the two His-Met-Asp residues of hCTR1 amino-terminus not only bind copper, but also maintain its reduced state, crucial for intracellular uptake.

}, doi = {10.1016/j.jbc.2022.101631}, author = {Kar, Sumanta and Sen, Samarpita and Maji, Saptarshi and Saraf, Deepashri and Ruturaj and Paul, Rupam and Dutt, Sohini and Mondal, Basudeb and Rodriguez-Boulan, Enrique and Schreiner, Ryan and Sengupta, Durba and Gupta, Arnab} } @article {48121, title = {Crystalline xylitol production from corncob biomass with oral toxicity analysis}, journal = {Industrial Crops and Products}, volume = {187}, year = {2022}, month = {NOV }, pages = {115407}, type = {Article}, abstract = {

Xylitol, a five-carbon sugar alcohol, has a steady global market and finds application as a natural sugar substitute in various food and confectionery products. Biocatalytic xylitol production, although touted as a greener alternative to conventional chemical catalysis, suffers from certain challenges, the primary being high cost of production. This study demonstrates a process for food-grade xylitol production from corncob biomass with energy reduction through two major process modifications. A non-conventional fermentation strategy was adopted whereby adjusting aeration without agitation, xylitol with high yield (0.86 +/- 0.015 g/g), and productivity (0.74 gL(-1)h(-1)) could be produced by a GRAS Pichia caribbica MTCC 5703 strain. Xylitol was recovered from the broth in the form of crystals using a combination of membrane-based filtration and crystallization. The crystals demonstrated similar to 98 \% purity when quantified with H-1 NMR. Oral toxicity analysis of the crystals demonstrated no adverse effect in female Winstar rats (at a loading of 2000 mg/kg body weight of animals). Overall process statistics showed that 0.584 kg of food-grade xylitol crystals could be produced from 3.5 kg of corncob biomass. The two-process modifications during fermentation and xylitol recovery enabled an energy saving of similar to 20.842 kW/kg of crystals, providing tremendous advantages for biorefinery-based large-scale xylitol production from corncob biomass.

}, keywords = {Biomass, Fermentation, Oral toxicity analysis, Wastewater treatment, xylitol}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2022.115407}, author = {Ahuja, Vishal and Dasgupta, Diptarka and Kshirsagar, Siddheshwar and Ghosh, Prasenjit and More, Snehal and Gupta, Piyush and Behera, Babita and Bhaskar, Thallada} } @article {48105, title = {Decay processes in cationic alkali metals in microsolvated clusters: a complex absorbing potential based equation-of-motion coupled cluster investigation}, journal = {Journal of Chemical Theory and Computation}, volume = {18}, year = {2022}, month = {FEB }, pages = {807-816}, type = {Article}, abstract = {

We have employed the highly accurate complex absorbing potential based ionization potential equation-of-motion coupled cluster singles and doubles (CAP-IP-EOM-CCSD) method to study the various intermolecular decay processes in ionized metals (Li+, Na+, K+) microsolvated by water molecules. For the Li atom, the electron is ionized from the 1s subshell. However, for Na and K atoms, the electron is ionized from 2s and both 2s and 2p subshells, respectively. We have investigated decay processes for the Li+-(H2O)(n) (n = 1-3) systems, as well as Na+-(H2O)(n) (n = 1, 2), and K+-H2O. The lithium cation in water can decay only via electron transfer mediated decay (ETMD) as there are no valence electrons in lithium. We have investigated how the various decay processes change in the presence of different alkali metal atoms and how the increasing number of water molecules play a significant role in the decay of microsolvated systems. To see the effect of the environment, we have studied Li+-NH3 in comparison to Li+-H2O. In the case of Na+-H2O, we have studied the impact of bond distance on the decay width. The effect of polarization on decay width was checked for the X+-H2O (X = Li, Na) systems. We used the PCM model to study the polarization effect. We have compared our results with existing theoretical and experimental results wherever available in the literature.

}, issn = {1549-9618}, doi = {10.1021/acs.jctc.1c01036}, author = {Kumar, Ravi and Ghosh, Aryya and Vaval, Nayana} } @article {48146, title = {Design and synthesis of eugenol/isoeugenol glycoconjugates and other analogues as antifungal agents against Aspergillus fumigatus}, journal = {RSC Medicinal Chemistry}, volume = {13}, year = {2022}, month = {AUG}, pages = {955-962}, type = {Article}, abstract = {

Glycoconjugates are biologically significant molecules as they tend to serve a wide range of intra- and extra-cellular processes depending on their size and complexity. The secondary metabolites of the plant Myristica fragrans, eugenol and isoeugenol, have shown antifungal activities (IC50 1900 mu M). Therefore, we envisioned that glycoconjugates based on these two scaffolds could prove to be potent antifungal agents. Triazole-containing compounds have shown prominent activities as antifungal agents. Based on this, we opined that a Cu(i) catalyzed click reaction could serve as the bridging tool between a eugenol/isoeugenol moiety and sugars to synthesize eugenol/isoeugenol based glycoconjugates. In our present work, we have coupled propargylated eugenol/isoeugenol and azido sugar to furnish eugenol/isoeugenol based glycoconjugates. In another approach, we have carried out hydroxylation of the double bond of eugenol and subsequent azidation of a primary alcohol followed by intramolecular coupling reactions leading to various other analogues. All the synthesized compounds were assayed against an opportunistic pathogenic fungus, Aspergillus fumigatus. Among the synthesized compounds, two analogues have exhibited significant antifungal activities with IC50 values of 5.42 and 9.39 mu M, respectively. The study suggested that these two analogues inhibit cell wall-associated melanin hydrophobicity along with the number of conidia. The synthesized compounds were found to be non-cytotoxic to an untransformed cell line.

}, doi = {10.1039/d2md00138a}, author = {Goswami, Lakshmi and Gupta, Lovely and Paul, Sayantan and Vermani, Maansi and Vijayaraghavan, Pooja and Bhattacharya, Asish K.} } @article {48197, title = {Dietary influence on modulation of Helicoverpa armigera oral secretion composition leading to differential regulation of tomato plant defense.}, journal = {Plant Science}, volume = {314}, year = {2022}, month = {JAN}, pages = {111120}, type = {Article}, abstract = {

Little is known about how different plant-based diets influence the insect herbivores{\textquoteright} oral secretion (OS) composition and eventually the plant defense responses. We analyzed the OS composition of the generalist Lepidopteran insect, Helicoverpa armigera feeding on the host plant tomato (OSH), non-host plant capsicum (OSNH), and artificial diet (OSAD) using Liquid Chromatography-Quadrupole Time of Flight Mass Spectrometry. Higher numbers and levels of alkaloids and terpenoids were observed in OSH and OSNH, respectively while OSAD was rich in phospholipids. Interestingly, treatment of H. armigera OSAD, OSH and OSNH on wounded tomato leaves showed differential expression of (i) genes involved in JA and SA biosynthesis and their responsive genes, and (ii) biosynthetic pathway genes of chlorogenic acid (CGA) and trehalose, which exhibited increased accumulation along with several other plant defensive metabolites. Specifically, high levels of CGA were detected after OSH and OSNH treatments in tomato leaves. There was higher expression of the genes involved in phenyl-propanoid biosynthesis, which may lead to the increased accumulation of CGA and related metabolites. In the insect bioassay, CGA significantly inhibited H. armigera larval growth. Our results underline the differential accumulation of plant and insect OS metabolites and identified potential plant metabolite(s) affecting insect growth and development.

}, keywords = {Chlorogenic acid, defense, Metabolites, Non-host, Oral secretion, trehalose}, issn = {0168-9452}, doi = {10.1016/j.plantsci.2021.111120}, author = {Kallure, Gopal S. and Shinde, Balkrishna A. and Barvkar, Vitthal T. and Kumari, Archana and Giri, Ashok P.} } @article {47798, title = {Dietary influence on modulation of Helicoverpa armigera oral secretion composition leading to differential regulation of tomato plant defense}, journal = {Plant Science}, volume = {314}, year = {2022}, month = {JAN}, pages = {111120}, type = {Article}, abstract = {Little is known about how different plant-based diets influence the insect herbivores{\textquoteright} oral secretion (OS) composition and eventually the plant defense responses. We analyzed the OS composition of the generalist Lepidopteran insect, Helicoverpa armigera feeding on the host plant tomato (OSH), non-host plant capsicum (OSNH), and artificial diet (OSAD) using Liquid Chromatography-Quadrupole Time of Flight Mass Spectrometry. Higher numbers and levels of alkaloids and terpenoids were observed in OSH and OSNH, respectively while OSAD was rich in phospholipids. Interestingly, treatment of H. armigera OSAD, OSH and OSNH on wounded tomato leaves showed differential expression of (i) genes involved in JA and SA biosynthesis and their responsive genes, and (ii) biosynthetic pathway genes of chlorogenic acid (CGA) and trehalose, which exhibited increased accumulation along with several other plant defensive metabolites. Specifically, high levels of CGA were detected after OSH and OSNH treatments in tomato leaves. There was higher expression of the genes involved in phenylpropanoid biosynthesis, which may lead to the increased accumulation of CGA and related metabolites. In the insect bioassay, CGA significantly inhibited H. armigera larval growth. Our results underline the differential accumulation of plant and insect OS metabolites and identified potential plant metabolite(s) affecting insect growth and development.}, keywords = {Chlorogenic acid, defense, Metabolites, Non-host, Oral secretion, trehalose}, issn = {0168-9452}, doi = {https://doi.org/10.1016/j.plantsci.2021.111120}, url = {https://www.sciencedirect.com/science/article/pii/S0168945221003162}, author = {Gopal S. Kallure and Balkrishna A. Shinde and Vitthal T. Barvkar and Archana Kumari and Ashok P. Giri} } @article {47764, title = {Different mechanical responses of dimorphic forms of anthracene schiffbase crystal}, journal = {Journal of Molecular Structure}, volume = {1252}, year = {2022}, month = {MAR}, pages = {132182}, type = {Article}, abstract = {We obtained concomitant dimorphic forms of Anthracene Schiffbase (N-(anthracen-9-yl methylene)-2,5dichloroaniline) from hexane solvent. Two polymorphs can be differentiated by their morphology and mechanical properties. One form is long acicular type and elastically bendable while another form is block shaped and brittle in nature. Mechanical property is attributed to underlying crystal packing. Hirshfeld analysis and energy framework calculations were done to corroborate structure-property correlation of two forms (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Anthracene schiffbase, Dimorphs, Elasticity, mechanical properties}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2021.132182}, author = {Lakshmipathi, Madhumathi and Tothadi, Srinu and Emmerling, Franziska and Bhattacharya, Biswajit and Ghosh, Soumyajit} } @article {47799, title = {Dimerization of SARS-CoV-2 nucleocapsid protein affects sensitivity of ELISA based diagnostics of COVID-19}, journal = {International Journal of Biological Macromolecules}, volume = {200}, year = {2022}, month = {MAR}, pages = {428-437}, type = {Article}, abstract = {

Nucleocapsid protein (N protein) is the primary antigen of the virus for development of sensitive diagnostic assays of COVID-19. In this paper, we demonstrate the significant impact of dimerization of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) N-protein on sensitivity of enzyme-linked immunosorbent assay (ELISA) based diagnostics. The expressed purified protein from E. coli is composed of dimeric and monomeric forms, which have been further characterized using biophysical and immunological techniques. Indirect ELISA indicated elevated susceptibility of the dimeric form of the nucleocapsid protein for identification of protein-specific monoclonal antibody as compared to the monomeric form. This finding also confirmed with the modelled structure of monomeric and dimeric nucleocapsid protein via HHPred software and its solvent accessible surface area, which indicates higher stability and antigenicity of the dimeric type as compared to the monomeric form. The sensitivity and specificity of the ELISA at 95\% CI are 99.0\% (94.5-99.9) and 95.0\% (83.0-99.4), respectively, for the highest purified dimeric form of the N protein. As a result, using the highest purified dimeric form will improve the sensitivity of the current nucleocapsid-dependent ELISA for COVID-19 diagnosis, and manufacturers should monitor and maintain the monomer-dimer composition for accurate and robust diagnostics.

}, doi = {10.1016/j.ijbiomac.2022.01.094}, author = {Khan, Wajihul and Khan, Nida and Mishra, Avinash and Gupta, Surbhi and Bansode, Vikrant and Mehta, Deepa and Bhambure, Rahul and Rathore, Anurag} } @article {48096, title = {Direct oxidation of bromo-derived Fischer-Borsche oxo-ring using molecular iodine with combined experimental and computational study}, journal = {Organic \& Biomolecular Chemistry}, volume = {20}, year = {2022}, month = {JUL}, pages = {5726-5729}, type = {Article}, abstract = {

A direct oxidation of the bromo-derived Fischer-Borsche oxo-ring leading to carbazolequinone has been developed by using molecular iodine. This unprecedented transformation has been used for the modular synthesis of the anti-cardiotonic agent murrayaquinone. Furthermore, the present method has been generalized to a broad range of functional groups, with good to excellent yield.

}, issn = {1477-0520}, doi = {10.1039/d2ob00793b}, author = {Humne, Vivek T. and Ghom, Monica H. and Naykode, Mahavir S. and Dangat, Yuvraj and Vanka, Kumar and Lokhande, Pradeep} } @article {48194, title = {Diversity assessment of Gloriosa superba accessions from Western Ghats of India based on morphological traits, ISSR markers and metabolite content}, journal = {Journal of Applied Research on Medicinal and Aromatic Plants}, volume = {30}, year = {2022}, month = {SEP}, pages = {100388}, type = {Article}, abstract = {

Gloriosa superba L. (glory lily) is a medicinally and horticulturally important plant used as a commercial source of the alkaloid colchicine. The Western Ghats in India is mostly unexplored for the morphological, genetic, and metabolite diversity of the species. In the current study, three methodologies were employed to assess the diversity among 50 established accessions of G. superba collected from several locations in the Western Ghats. The morphological analysis revealed that, among the studied traits, seed yield per vine and dry seed weight per 100 seeds for the established accessions were the most diverse traits. The former exhibited a significantly positive correlation with four vegetative and five yield traits. The first three principal components showed nine traits contributing to the variation. Intra-specific molecular variation based on inter simple sequence repeat markers distributed the accessions in three clusters with high polymorphism and low genetic diversity indices. Liquid chromatography high-resolution mass spectrometry analysis revealed significant variation among the screened accessions for colchicine content in tuber and seed tissue. Interestingly, an unexplored tissue, pod shell, was found to contain significantly high colchicine, which could be explored for commercial colchicine extraction. The morphogenetic and metabolite variation revealed by the study would be useful to develop elite varieties to expand the cultivation of glory lily across the country, fulfilling the increasing demand for colchicine and providing remunerative income to the farmers.

}, keywords = {Colchicine, Genetic diversity, Gloriosa superba, Metabolite diversity, Morphological diversity, Western Ghats}, doi = {10.1016/j.jarmap.2022.100388}, author = {Mahajan, Yogesh A. and Shinde, Balkrishna A. and Mulani, Fayaj A. and Gade, Akshay B. and Kasodekar, Amol K. and Thulasiram, H. V. and Kadoo, Narendra Y. and Nikam, Tukaram D.} } @article {48180, title = {DNA binding, antitubercular, antibacterial and anticancer studies of newly designed piano-stool ruthenium(ii) complexes}, journal = {Dalton Transactions}, volume = {51}, year = {2022}, month = {NOV }, pages = {16371-16382}, type = {Article}, abstract = {

The chemotherapeutic potential of ruthenium(ii) complexes has recently attracted researchers{\textquoteright} interest as antibacterial and anticancer agents. In this study, two novel half-sandwich imine-based Ru complexes ([Ru(p-cymene)Cl(L-1)][PF6] (Ru-1) and [Ru(p-cymene)Cl(L-2)][PF6] (Ru-2)) were reported for their deoxyribonucleic acid (DNA) binding and antitubercular, antibacterial, and anticancer activities. The molecular structure of Ru-2 was obtained by single-crystal X-ray crystallography. DNA interaction studies were conducted by UV-Vis absorbance and fluorescence spectral titration which gave rise to DNA binding constants (K-b) of 1.32 x 10(6) and 1.82 x 10(6) for Ru-1 and Ru-2, respectively and the Stern-Volmer binding constant (K-SV) values for Ru-1 and Ru-2 were 1.7763 x 10(4) M-1 and 7.6 x 10(3) M-1, respectively. The in vitro antitubercular activity was evaluated against Mycobacterium tuberculosis H37Ra. The antibacterial potential of both the Ru-complexes was examined against Gram-negative (Escherichia coli and Pseudomonas aeruginosa) and Gram-positive (Staphylococcus aureus and Bacillus subtilis) bacteria. The half-maximal inhibitory concentration (IC50) values for the antitubercular activity of Ru-1 and Ru-2 were 4.87 +/- 1.32 mu M and 5.78 +/- 0.54 mu M, respectively. A cytotoxic study of these complexes was performed against the human breast cancer cell line (MCF-7) and the human embryonic kidney cell line (HEK293) (normal cells). The study revealed meaningful activity of the Ru-1 complex against (cancer) MCF-7 cells, while the viability of HEK293 (normal) cells in the presence of Ru-2 was higher as compared to a reference drug 5FU. We suggest that these kinds of Ru-complexes could have potential for application in metallopharmaceuticals.

}, issn = {1477-9226}, doi = {10.1039/d2dt02577a}, author = {Navale, Govinda and Singh, Sain and Agrawal, Sonia and Ghosh, Chandrachur and Choudhury, Angshuman Roy and Roy, Partha and Sarkar, Dhiman and Ghosh, Kaushik} } @article {47761, title = {Donor-acceptor based solvent-free organic liquid hybrids with exciplex emission and room temperature phosphorescence}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {FEB }, pages = {1998-2001}, type = {Article}, abstract = {Solvent-free organic liquids are well-known for their excellent luminescence features. Hence, the recent developments in this area have marked them as potential emitters with high quantum yield and enhanced processability. The support of an available liquid matrix enables doping to deliver hybrid liquids with intriguing luminescence features. In this direction, we report solvent-free liquid donor-acceptor pairs with exciplex emission and room temperature phosphorescence at very low acceptor loading. The underlying weak intermolecular interactions have been revealed by 2D NMR techniques and theoretical calculations. The formation of large-area thin films by exciplex and phosphorescent liquid hybrids will encourage the development of scalable lighting and display materials.}, issn = {1359-7345}, doi = {10.1039/d1cc07082g}, author = {Wakchaure, Vivek Chandrakant and Veer, Sairam D. and Nidhankar, Aakash D. and Goudappagouda and Nayak, Rashmi and Asokan, Kiran and Ravindranathan, Sapna and Babu, Sukumaran Santhosh} } @article {48417, title = {Dual nanomechanics in anisotropic porous covalent organic framework janus-type thin films}, journal = {Journal of the American Chemical Society}, volume = {144}, year = {2022}, month = {JAN}, pages = {400-409}, type = {Article}, abstract = {

Empowered by crystalline ordered structures and homogeneous fabrication techniques, covalent organic frameworks (COFs) have been realized with uniform morphologies and isotropic properties. However, such homogeneity often hinders various surface-dependent properties observed in asymmetric nanostructures. The challenge remains to induce heterogeneity in COFs by creating an asymmetric superstructure such as a Janus thin film. In this regard, we propose a versatile yet straightforward interfacial layer-grafting strategy to fabricate free-standing Janus-type COF-graphene thin films. Herein, two-dimensional graphene sheets were utilized as the suitable grafter due to the possibility of noncovalent interactions between the layers. The versatility of the approach was demonstrated by fabricating two distinct Janus-type films, with the COF surface interwoven with nanofibers and nanospheres. The Janus-type films showcase opposing surface morphologies originating from graphene sheets and COF nanofibers or nanospheres, preserving the porosity (552-600 m(2) g(-1)). The unique surface chemistries of the constituent layers further endow the films with orthogonal mechanical properties, as confirmed by the nanoindentation technique. Interestingly, the graphene sheets favor the Janus-type assembly of COF nanofibers over the nanospheres. This is reflected in the better nanomechanical properties of COFfiber-graphene films (E-gra(phene) = 300-1200 MPa; E-COF( )= 15-60 MPa) compared to the COFsphere-graphene films (E-gra(phe)ne = 11-14 MPa; E-CO(F )= 2-5 MPa). These results indicate a direct relationship between the mechanical properties and homo/heterogeneity of Janus-type COF films.

}, issn = {0002-7863}, doi = {10.1021/jacs.1c10263}, author = {Mohata, Shibani and Dey, Kaushik and Bhunia, Surojit and Thomas, Neethu and Gowd, E. Bhoje and Ajithkumar, Thalasseril G. and Reddy, C. Malla and Banerjee, Rahul} } @article {48040, title = {Dynamic kinetic resolution of gamma,gamma-disubstituted indole 2-carboxaldehydes via NHC-Lewis acid cooperative catalysis for the synthesis of tetracyclic epsilon-lactones}, volume = {13}, year = {2022}, month = {OCT}, pages = {11513-11518}, type = {Article}, abstract = {

The ubiquity of epsilon-lactones in various biologically active compounds inspired the development of efficient and enantioselective routes to these target compounds. Described herein is the enantioselective synthesis of indole-fused epsilon-lactones by the N-heterocyclic carbene (NHC)-Lewis acid cooperative catalyzed dynamic kinetic resolution (DKR) of in situ generated gamma,gamma-disubstituted indole 2-carboxaldehydes. The Bi(OTf)(3)-catalyzed Friedel-Crafts reaction of indole-2-carboxaldehyde with 2-hydroxy phenyl p-quinone methides generates gamma,gamma-disubstituted indole 2-carboxaldehydes, which in the presence of NHC and Bi(OTf)(3) afforded the desired tetracyclic epsilon-lactones in up to 93\% yield and \>99 : 1 er. Moreover, preliminary studies on the mechanism of this formal [4 + 3] annulation are also provided.

}, issn = {2041-6520}, doi = {10.1039/d2sc03745a}, author = {Balanna, Kuruva and Barik, Soumen and Shee, Sayan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48012, title = {Effect of B site substitution in Gd2B2-xNiyO7-delta (B= Ti, Zr) ternary metal oxide catalysts in dry reforming of methane}, journal = {Molecular Catalysis}, volume = {522}, year = {2022}, month = {APR}, pages = {112242}, type = {Article}, abstract = {

Structured catalysts are emerging as active and durable catalysts in dry reforming of methane due to their inherent characteristics like lattice insertion of active metals and consequent stability imparted. Here we report Ti and Zr substituted Gd2B2-xNiyO7-delta (B = Ti, Zr) catalysts synthesized by citrate gel method, which are characterized and tested for dry reforming of methane. Structure and Ni substitution has been confirmed by Rietveld refinement of powder XRD patterns and Raman analysis. TPR and CO2-TPD were performed to analyze the reducibility and effect of basic sites of catalysts in DRM activity. Ni doped Ti analogue shows stable and superior activity towards dry reforming of methane for 100 h. The in situ IR studies and XPS analysis confirmed the presence of surface hydroxyl species in this catalyst, which triggers the activation of CO2 and provides higher and durable activity in dry reforming reaction. Absence of any C formation in this catalyst after durability test indicates the mechanism of C gasification by the surface hydroxyl species enhancing stable activity for long durations.

}, keywords = {A(2)B(2)O(7), Citrate gel method, Dry reforming of methane, Ternary metal oxide}, issn = {2468-8231}, doi = {10.1016/j.mcat.2022.112242}, author = {Ghodke, Seema R. and Thundiyil, Shibin and Dongapure, Pavan and Devi, R. Nandini} } @article {47719, title = {The effects of cis and trans butenedioic acid on the physicochemical behavior of lumefantrine}, journal = {Crystengcomm}, volume = {24}, year = {2022}, month = {JAN }, pages = {156-168}, type = {Article}, abstract = {The present work investigates the effects of cis and trans butenedioic acid isomers (maleic acid and fumaric acid) on the crystallinity and pharmaceutical behavior of lumefantrine. Differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD), attenuated total reflectance infrared spectroscopy (ATR-IR), solid-state nuclear magnetic resonance spectroscopy (ss-NMR), and single-crystal X-ray diffraction (SC-XRD) studies were employed. Lumefantrine-fumaric acid crystallized as a salt in the monoclinic space group P2(1)/c. In comparison, DSC and PXRD showed the formation of a co-amorphous solid with maleic acid. Complete proton transfer with a strong ionic interaction led to crystalline salt formation with the trans isomer, whereas weaker/fewer hydrogen bonds with the cis isomer of butenedioic acid led to a co-amorphous salt. The in vitro dissolution of both salts resulted in a similar 2.6-2.7-fold improvement in dissolution rate when compared to that of the crystalline lumefantrine. The crystalline and co-amorphous salts were stable under accelerated stability conditions (40 +/- 2 degrees C and 75 +/- 5\% RH) for one month.}, doi = {10.1039/d0ce01709d}, author = {Tomar, Devendrasingh and Lodagekar, Anurag and Gunnam, Anilkumar and Allu, Suryanarayana and Chavan, Rahul B. and Tharkar, Minakshi and Ajithkumar, T. G. and Nangia, Ashwini K. and Shastri, Nalini R.} } @article {48083, title = {Efficient route to 3,3 {\textquoteleft}-biindolinylidene-diones by iron-catalyzed dimerization of isatins}, journal = {Chemistry-an Asian Journal}, volume = {17}, year = {2022}, month = {AUG}, pages = {e202200414}, type = {Article}, abstract = {

Iron-catalyzed dimerization of various isatin derivatives is described for the efficient synthesis of 3,3 {\textquoteleft}-biindolinylidene-diones (isoindigos). The reaction provides easy access to self-coupled and cross-coupled 3,3 {\textquoteleft}-indolinylidene-diones that have high relevance to biology and materials. This Fe(0)- or Fe(II)-catalyzed dimerization reaction tolerates a wide range of functionalities, such as fluoro, chloro, bromo, alkenyl, nitrile, ether, ester, pyrrolyl, indolyl and carbazolyl groups, including cyclic and acyclic alkyls as well as an alkyl-bearing fatty-alcohol moiety. Especially, the coupling between two distinct isatins provided excellent selectivity for the cross-dimerization with trace of self-couplings. The single-crystal X-ray diffraction study established the molecular structure of eight dimerized products. A preliminary mechanistic study of the Fe-catalyzed dimerization supported the radical pathway for the reaction.

}, keywords = {Cross-coupling, dimerization, iron, Isatin, Isoindigo, Mechanism}, issn = {1861-4728}, doi = {10.1002/asia.202200414}, author = {Jagtap, Rahul A. and Pradhan, Chandini and Gonnade, Rajesh G. and Punji, Benudhar} } @article {48018, title = {Electrocatalytic alcohol oxidation by a molecular iron complex}, journal = {Faraday Discussions}, volume = {234}, year = {2022}, month = {MAY}, pages = {42-57}, type = {Article}, abstract = {

An efficient electrochemical method for the selective oxidation of alcohols to their corresponding aldehydes/ketones using a biomimetic iron complex, [(bTAML)Fe-III-OH2](-), as the redox mediator in an undivided electrochemical cell with inexpensive carbon and nickel electrodes using water as an oxygen source is reported. The substrate scope also includes alcohols that contain O and N heteroatoms in the scaffold, which are well tolerated under these reaction conditions. Mechanistic studies show the involvement of a high-valent Fe-V(O) species, [(bTAML)Fe-V(O)](-), formed via PCET (overall 2H(+)/2e(-)) from [(bTAML)Fe-III-OH2](-) at 0.77 V (vs. Fc(+)/Fc). Moreover, electrokinetic studies of the oxidation of C-H bonds indicate a second-order reaction, with the C-H abstraction by Fe-V(O) being the rate-determining step. The overall mechanism, studied using linear free energy relationships and radical clocks, indicates a {\textquoteleft}{\textquoteleft}net hydride{\textquoteright}{\textquoteright} transfer, leading to the oxidation of the alcohol to the corresponding aldehyde or ketone. When the reaction was carried out at pH \> 11, the reaction could be carried out at a similar to 500 mV lower potential than that at pH 8, albeit with reduced reaction rates. The reactive intermediate involved at pH \> 11 is the corresponding one-electron oxidized [(bTAML)Fe-IV(O)](2-) species.

}, issn = {1359-6640}, doi = {10.1039/d1fd00074h}, author = {Kuiry, Himangshu and Das, Debasree and Das, Soumadip and Chakraborty, Soham and Chandra, Bittu and Sen Gupta, Sayam} } @article {48186, title = {Electrodeposited layered sodium vanadyl phosphate (NaxVOPO4 center dot nH(2)O) as cathode material for aqueous rechargeable zinc metal batteries}, journal = {Energy \& Fuels}, volume = {36}, year = {2022}, month = {JUN }, pages = {6520-6531}, type = {Article}, abstract = {

Aqueous rechargeable zinc metal batteries (ARZMBs) present a safer and cost-effective solution for energy storage in stationary applications. However, a major challenge is the lack of suitable cathode materials simultaneously exhibiting high operating voltage and long cycling stability. Herein, we report the polyanionic sodium-intercalated layered vanadyl phosphate [NaxVOPO4 center dot nH(2)O (NVP)] as a suitable high-voltage and stable cathode for ARZMBs. This work employs a simpler electrochemical route (electrodeposition) for the synthesis of NVP over functionalized carbon fiber substrates and its application as a binder-free cathode in ARZMBs. The electrodeposited NVP possesses a morphology of vertically aligned well-separated nanosheet bundles resembling a flower. When used as the ARZMB cathode, the NVP electrode delivers a specific discharge capacity of 100 mA h g(-1) at 0.033 A g(-1) and high cycling stability (98\% retention of the initial capacity over 1100 cycles at 0.333 A g(-1)) in a mild aqueous electrolyte with moderate zinc salt concentration. The observed electrochemical performance of NVP is credited to the synergistic effect of unique nanoflower morphology, the pillaring effect offered by the intercalated Na, and the intimate contact of the active material with the carbon fiber network. These factors are favorable for enhancing the transport of the electrolyte ions and electrons and maintaining the structural stability of the electrode during long-term cycling. The NVP electrode could also deliver appreciable performance (a discharge capacity of 73 mA h g(-) 1 and a current density of 0.033 A g(-1)) in quasi-solidstate ARZMB cells employing PVA/Zn(CF3SO3)(2) gel electrolyte.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.2c00831}, author = {Dilwale, Swati and Ghosh, Meena and Vijayakumar, Vidyanand and Kurungot, Sreekumar} } @article {48359, title = {Electronic structure evolution from metallic vanadium to metallic VxOy: a nappes study for o2+v gas-solid interaction}, journal = {Journal of Physical Chemistry C}, volume = {126}, year = {2022}, month = {NOV}, pages = {19136-19146}, type = {Article}, abstract = {

Gas-solid interactions between molecular oxygen and metallic vanadium surfaces and the systematic evolution in the electronic structure of vanadium oxide (VOx) surfaces have been explored in the present work by near-ambient pressure photo-electron spectroscopy (NAPPES). The current article studies the evolution of various oxides of vanadium as a function of partial pressure of O2 (ultrahigh vacuum to 1 mbar), temperature (298- 875 K), and the exposure time to oxygen (up to 18 h). Valence -band (VB) and core-level spectral measurements recorded with UV (He-I = 21.2 eV) and Al K alpha (1486.6 eV) photons, respectively, show interesting changes. (1) Oxidation is limited to the top layers of vanadium at 298 K and up to a partial pressure of 1 mbar O2. About 50\% of vanadium gets oxidized, and the remaining amount exists as metal within the top 10 nm. (2) Metallic vanadium disappears above 625 K, and it is predominantly oxidized to a mixture of V4+ and V5+ oxidation states at a 0.1 mbar partial pressure of O2. Points 1 and 2 suggest the predominantly thermodynamically controlled nature of vanadium oxidation through oxygen diffusion into the subsurface and bulk layers. (3) The Fermi-level (EF) feature observed first at \>= 725 K at a 0.1 mbar O2 pressure demonstrates the formation of metallic VO2; however, its metallic nature is preserved even at ambient temperature due to interweaving nanodomains of VOx with VO2. (4) Only partial conversion of surface layers to V5+ (V2O5) along with VO2 and V2O3 (within the probing depth of 8-10 nm by near-ambient pressure X-ray photoelectron spectroscopy (NAP-XPS)) was observed even after prolonged heating (18 h) in 1 mbar O2 pressure. (5) The nature of the surface changes between metal and semiconducting/ insulator oxides is substantiated by the observation of changes in work function (phi) and EF features. Typical VB features and Fermi intensity of V-metal and vanadium oxides were observed, and the results were corroborated with core-level and VB spectra. The present results extend the capabilities of NAPPES to explore the electronic structure evolution as a function of reaction conditions and underscore its relevance to areas such as heterogeneous catalysis and sensing.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.2c05212}, author = {Ranjan, Ravi and Mhamane, Nitin B. and Kolekar, Sadhu K. and Gopinath, Chinnakonda S.} } @article {48410, title = {Elliptically birefringent chemically tuned liquid crystalline nanocellulose composites for photonic applications}, journal = {Journal of Molecular Liquids}, volume = {366}, year = {2022}, month = {NOV }, pages = {120326}, type = {Article}, abstract = {

Cellulose nanocrystals (CNCs) based photonic materials are one of the promising materials in the recent trends. The liquid crystalline behavior of the CNCs can be tailored to different advanced applications. The proposed research investigates the potential of CNCs as an optically active material. CNCs were tuned to hydroxypropyl nano cellulose (HPNC) with the degree of substitution 1.39. The prepared liquid crystalline HPNC were dispersed in various concentrations of monomethyl ether of polyethylene glycol to get waterborne materials with specific optical anisotropy. The extraction, modification, and morphology of the CNCs were investigated using NMR (Nuclear Magnetic Resonance), TEM (Transmission Electron Microscopy), XRD (X-ray Powder Diffraction), and FESEM (Field Emission Scanning Electron Microscopy) analysis. The prepared HPNC was analyzed using a hot stage POM (Polarized Optical Microscope) for optical anisotropy. The thermal stability of prepared CNCs and HPNC was also investigated. Upon optimization using rheology and POM, it was found that at the ratio of 1:1, HPNC (5 wt\%) and mPEG (40 wt\%) had the most distinct optical properties. The potential of the prepared materials can be further explored in sensing, smart coating, and security materials. (C) 2022 Elsevier B.V. All rights reserved.

}, keywords = {bagasse, Cellulose nanocrystals, Elliptical birefringence, liquid crystals, optical anisotropy}, issn = {0167-7322}, doi = {10.1016/j.molliq.2022.120326}, author = {Singh, Shiva and Bhardwaj, Shakshi and Verma, Chhavi and Chhajed, Monika and Balayan, Kajal and Ghosh, Kaushik and Maji, Pradip K.} } @article {48229, title = {Elucidating the influence of structure and Ag+ -Na+ ion-exchange on crack-resistance and ionic conductivity of Na3Al1.8Si1.65 P-1.8 O-12 glass electrolyte}, journal = {Acta Materialia}, volume = {227}, year = {2022}, month = {APR }, pages = {117745}, type = {Article}, abstract = {

Glasses are emerging as promising and efficient solid electrolytes for all-solid-state sodium-ion batteries. However, they still suffer from poor ionic conductivity and crack-resistance, which need to be improved for better battery performance, reliability, and service life. The current study shows a significant enhancement in crack resistance (from 11.3 N to 32.9 N) for Na3Al (1.8) Si-1.65 P1.8O12 glass (Ag-0 glass) upon Na+ -Ag+ ion-exchange (IE) due to compressive stresses generated in the glass surface while the ionic conductivity values (similar to 10(-5) S/cm at 473 K) were retained. In this study, magic angle spinning-nuclear magnetic resonance (MAS-NMR), molecular dynamics (MD) simulations, Vickers micro hardness, and impedance spectroscopic techniques were used to evaluate the intermediate-range structure, atomic structure, crack resistance and conductivity of the glass. MAS-NMR and MD simulations confirm the presence of Si-OAl-O-P groups in the glass, thus enabling formation of Na percolated channel regions. AC-conductivity analysis for Ag-0 and ion-exchanged Ag-0 glass suggests that the mobility of Na+ ion increases with increasing temperature. It is observed that the measured mean square displacement (root \< R-2(t(p))\>) for sodium cations using AC-conductivity isotherms is nearly constant up to 448 K and then increases with increasing temperature up to 523 K. From the impedance spectra for ion-exchanged Ag-0 glass, it is identified that the increase in root \< R-2 (t(nu))\> and thereby, the mobility of sodium-ions for Ag-0 glass is due to the structural variations in the Ag-0 glass with increasing the temperature. Overall, the mechanisms presented in this article helps in formulating better glass based electrolyte materials for room temperature or high temperature sodium-ion batteries. (C) 2022 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

}, keywords = {amorphous, Ion-exchange, Ionic-conductivity, MD simulations, Mechanical property}, issn = {1359-6454}, doi = {10.1016/j.actamat.2022.117745}, author = {Keshri, Shweta R. and Mandal, Indrajeet and Ganisetti, Sudheer and Kasimuthumaniyan, S. and Kumar, Rajesh and Gaddam, Anuraag and Shelke, Ankita and Ajithkumar, Thalasseril G. and Gosvami, Nitya Nand and Krishnan, N. M. Anoop and Allu, Amarnath R.} } @article {48358, title = {Enantioselective synthesis of dihydrothiopyranones via NHC- catalyzed [3+3] annulation of 2-bromoenals with beta-oxodithioesters}, journal = {Organic Letters}, volume = {24}, year = {2022}, month = {DEC}, pages = {8848-8853}, type = {Article}, abstract = {

The N-heterocyclic carbene (NHC)-organocata-lyzed [3 + 3] annulation of 2-bromoenals with fi-oxodithioesters resulting in the enantioselective synthesis of dihydrothiopyranones is presented. The chiral a,fi-unsaturated acylazoliums generated from 2-bromoenals and carbenes underwent smooth interception with the sulfur nucleophiles to furnish the sulfur heterocycles in satisfactory yields/selectivity. The regioselective formation of dihydrothiopyranones over the competing dihydropyranones is noteworthy.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.2c03642}, author = {Barik, Shilpa and Shee, Sayan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48114, title = {Enceleamycins A-C, furo-naphthoquinones from amycolatopsis sp. MCC0218: isolation, structure elucidation, and antimicrobial activity}, journal = {Journal of Natural Products}, volume = {85}, year = {2022}, month = {MAY}, pages = {1267-1273}, type = {Article}, abstract = {

Three novel furo-naphthoquinones, enceleamycins A-C (1-3), and a new N-hydroxypyrazinone acid (4) were identified from the strain Amycolatopsis sp. MCC 0218, isolated from a soil sample collected from the Western Ghats of India. Their chemical structure and absolute and relative configurations were established by 1D and 2D NMR spectroscopy, single-crystal X-ray crystallography, and high-resolution mass spectrometry. Compounds 1 and 3 were active against methicillin-susceptible and -resistant Staphylococcus aureus with MIC values of 2-16 mu g/mL.

}, issn = {0163-3864}, doi = {10.1021/acs.jnatprod.1c01160}, author = {Khan, Abujunaid and Said, Madhukar S. and Borade, Balasaheb R. and Gonnade, Rajesh and Barvkar, Vitthal and Kontham, Ravindar and Dastager, Syed G.} } @article {48348, title = {Engineering nucleotide sugar synthesis pathways for independent and simultaneous modulation of N-glycan galactosylation and fucosylation in CHO cells}, journal = {Metabolic Engineering}, volume = {74}, year = {2022}, month = {NOV}, pages = {61-71}, type = {Article}, abstract = {

Glycosylation of recombinant therapeutics like monoclonal antibodies (mAbs) is a critical quality attribute. N-glycans in mAbs are known to affect various effector functions, and thereby therapeutic use of such glycoproteins can depend on a particular glycoform profile to achieve desired efficacy. However, there are currently limited options for modulating the glycoform profile, which depend mainly on over-expression or knock-out of glyco-syltransferase enzymes that can introduce or eliminate specific glycans but do not allow predictable glycoform modulation over a range of values. In this study, we demonstrate the ability to predictably modulate the gly-coform profile of recombinant IgG. Using CRISPR/Cas9, we have engineered nucleotide sugar synthesis pathways in CHO cells expressing recombinant IgG for combinatorial modulation of galactosylation and fucosylation. Knocking out the enzymes UDP-galactose 4 {\textquoteleft}-epimerase (Gale) and GDP-L-fucose synthase (Fx) resulted in ablation of de novo synthesis of UDP-Gal and GDP-Fuc. With Gale knock-out, the array of N-glycans on recom-binantly expressed IgG is narrowed to agalactosylated glycans, mainly A2F glycan (89\%). In the Gale and Fx double knock-out cell line, agalactosylated and afucosylated A2 glycan is predominant (88\%). In the double knock-out cell line, galactosylation and fucosylation was entirely dependent on the salvage pathway, which allowed for modulation of UDP-Gal and GDP-Fuc synthesis and intracellular nucleotide sugar availability by controlling the availability of extracellular galactose and fucose. We demonstrate that the glycoform profile of recombinant IgG can be modulated from containing predominantly agalactosylated and afucosylated glycans to up to 42\% and 96\% galactosylation and fucosylation, respectively, by extracellular feeding of sugars in a dose-dependent manner. By simply varying the availability of extracellular galactose and/or fucose, galactosylation and fucosylation levels can be simultaneously and independently modulated. In addition to achieving the pro-duction of tailored glycoforms, this engineered CHO host platform can cater to the rapid synthesis of variably glycoengineered proteins for evaluation of biological activity.

}, keywords = {Antibody, Cell engineering, Fucosylation, Fx, Galactosylation, Gale, glycosylation, Nucleotide sugar synthesis, Recombinant therapeutics}, issn = {1096-7176}, doi = {10.1016/j.ymben.2022.09.003}, author = {Prabhu, Anuja and Shanmugam, Dhanasekaran and Gadgil, Mugdha} } @article {48190, title = {Enhanced field emission behaviour from ethylene glycol mediated synthesis of 2D hexagonal SnS2 disc with nanoparticle}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {284}, year = {2022}, month = {OCT}, pages = {115865}, type = {Article}, abstract = {

Herein, octahedron and stacked 2D hexagonal disc - like nanostructures of SnS2 were obtained by hydrothermal and ethylene glycol mediated hydrothermal methods, respectively. Attempt has been made to shade light on the plausible growth mechanism. Liquid phase exfoliation followed by centrifugation process leads to presence of tiny single crystalline SnS2 nanoparticles (similar to 5 nm) on the hexagonal discs over C substrate, characterized by preferred growth along {001} direction. The observed Raman shift and enhanced intensities of A(1g) and E-g modes infer charge interactions between the SnS2 disc and C substrate. Interestingly, the SnS2-C emitter exhibited superior field emission (FE) behaviour due to the unique morphology, excellent charge transfer, and reduced work function (similar to 4.1 eV). Here the extraction of large current density of similar to 1137 mu A/cm(2) at an applied field of 3.72 V/mu m, with good emission current stability. The present strategy is beneficial to design architectured morphology for multi-functionality.

}, keywords = {2D layered materials, Field Emission (FE), SnS2, SnS2 on C}, issn = {0921-5107}, doi = {10.1016/j.mseb.2022.115865}, author = {Mutadak, Pallavi R. and Chaudhari, Nilima S. and Gadhave, Dattatraya C. and Rajput, Parikshit K. and Kolekar, Sadhu K. and Late, Dattatray J. and More, Mahendra A. and Warule, Sambhaji S.} } @article {48225, title = {Enhanced hydrogen fuel production using synergistic combination of solar radiation and TiO2 photocatalyst coupled with Burkholderia cepacia lipase}, journal = {International Journal of Hydrogen Energy}, volume = {47}, year = {2022}, month = {APR }, pages = {14483-14492}, type = {Article}, abstract = {

Promising and sustainable alternatives for hydrogen production have been investigated. Among these, the use of enzymes may represent an efficient alternative. In this work, an increase in hydrogen production under simulated sunlight by combining TiO2 and TiO2/MgCl2 with Burkholderia cepacia lipase (BCL) was reported. The samples (TiO2, TiO2/MgCl2, and TiO2 /MgCl2/BCL) were characterized by X-ray diffraction (XRD), thermo-gravimetric (TGA), N-2 adsorption-desorption isotherms (BET), scanning electron microscopy (SEM), and UV-Visible absorption spectra. Hydrogen production tests were performed in aqueous methanol solutions under simulated sunlight. The results demonstrated that 130-times greater increase in hydrogen production rate was observed by the addition of BCL than individual TiO2. This better hydrogen production rate can be attributed to the increase in the amount of reduction equivalent of the system due to the oxidation of protein peptides caused by TiO2. In conclusion, the results indicate that hydrogen production efficiency can be significantly improved when integrating TiO2/MgCl2 with BCL. (C) 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {hydrogen production, Lipase, Nano-conjugated enzymes, Photocatalyst, Solar radiation, Titanium dioxide}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2022.02.220}, author = {de Souza Brandao, Luma Mirely and Barbosa, Milson dos Santos and de Jesus, Roberta Anjos and Bharad, Pradnya Arunrao and Lima, Alvaro Silva and Faria Soares, Cleide Mara and Navarro Yerga, Rufino Manuel and Bilal, Muhammad and Romanholo Ferreira, Luiz Fernando and Iqbal, Hafiz M. N. and Gopinath, Chinnakonda S. and Figueiredo, Renan Tavares} } @article {48077, title = {Facile, sustainable and unassisted plain water oxidation on Au/Ce0.9Ti0.1O2 nanorods in direct sunlight}, journal = {Journal of Chemical Sciences}, volume = {134}, year = {2022}, month = {JUN}, pages = {61}, type = {Article}, abstract = {

Impressive rate of solar water oxidation to molecular oxygen (O-2) has been demonstrated on nanorods (NRs) of Ce0.9Ti0.1O2 (CT-NR) and Au-deposited CT-NR (Au-CT-NR) photocatalysts with a sacrificial agent (Fe3+) and in plain water in one sun condition, direct sunlight and with lambda \>= 455 nm. Probably the highest 0 2 yield of 11 mmol/h.g was observed with Au-CT-NR thin film in plain water in direct sunlight, with no sacrificial agent or applied potential. Photoelectrochemical measurements demonstrate a marked reduction in oxidation onset potential of Au-CT-NR by 150 mV with stable photocurrent (0.75 mA/cm(2)), compared to CT-NR (0.23 mA/cm(2)), indicating the operative of plasmon-induced resonant energy transfer (PIRET) process. Effective electron quenching by nanogold and hence low recombination in the depletion region is a critical step for the observation of a high rate of oxygen evolution. In addition to this, a predominant change in the nature of the valence band from O-2p dominated on CeO2 to Ce-4f dominated with CT-NR (due to Ti4+ introduction in CeO2), the efficient light absorption of photocatalysts in thin-film form, functional and effective PIRET process, and facile E-F alignment, enhances the oxygen evolution with Au-CT-NR in direct sunlight and make it highly sustainable. A possible mechanism of water oxidation is proposed from the observed experimental findings.

}, keywords = {ceria, Electronic integration, Photocatalysis, thin film, water splitting}, issn = {0974-3626}, doi = {10.1007/s12039-022-02055-z}, author = {Dubey, Anjani and Mishra, Abhaya Kumar and Negi, Sanjay Singh and Gopinath, Chinnakonda S.} } @article {47062, title = {First synthesis of podocarflavone A and its analogs and evaluation of their antimycobacterial potential against mycobacterium tuberculosis with the support of virtual screening}, journal = {Natural Product Research}, volume = {36}, year = {2022}, month = {AUG}, pages = {3879-3886}, type = {Article}, abstract = {

The first synthetic route developed for Podocarflavone A reported from Podocarpus macrophyllus and its analogs in 7 steps. Computational analysis for binding with the pantothenate kinase (3AVO) of Mycobacterium tuberculosis showed their docking score (ds) in the range of -8.9 to -9.3 Kcal/mol. MD simulations delineated the stability of the protein-ligand complexes in the TIP3P model. MMGBSA and MMPBSA values of 8d were -42.46 Kcal/mol and -14.58 Kcal/mol, respectively. Further in-vitro antitubercular screening of compounds 8a, 8d, and 8e against M. tuberculosis H37Ra using XRMA protocol exhibited promising antimycobacterial activity with IC50 values 21.82 mu g/mL, 15.55 mu g/mL, and 16.56 mu g/mL, respectively. Compounds 8a, 8d, and 8e showed antibacterial activity with IC50 values 41.56 mu g/mL, 24.72 mu g/mL, and 72.45 mu g/mL respectively against the Staphylococcus aureus. 8a and 8d showed inhibition with IC50 values 39.6 mu g/mL and 27.64 mu g/mL, respectively, against Bacillus subtilis. The present study could help in the further development of lead molecules against tuberculosis.

}, keywords = {and MMGBSA, antimycobacterial activity, docking, MD simulations, MMPBSA, Podocarflavone A synthesis}, issn = {1478-6419}, doi = {10.1080/14786419.2021.1893317}, author = {Puranik, Ninad V. and Swami, Sagar and Misar, Ashwini V. and Mamgain, Ritu and Gulawani, Swapnaja S. and Dhiman, Sarkar and Srivastava, Pratibha} } @article {48377, title = {Flow of lubricated granular material on an inclined plane}, journal = {Powder Technology}, volume = {409}, year = {2022}, month = {SEP}, pages = {117809}, type = {Article}, abstract = {

We have studied the gravity driven flow of spherical shaped, millimetric sized granular material coated with aspherical, micron-sized, near frictionless lubricant particles. Experiments were performed on an inclined plane using two different sized particles for varying concentrations of the lubricant. The particle volumetric flow rate exhibits a non-monotonic behavior with increasing lubricant concentration. It shows an increase at lower lubricant concentration followed by a decrease at higher lubricant concentration. The lubricant particles adhere to the granular particle surface thereby reducing the inter-particle friction. However, presence of lubricant particles at higher concentration damps out inter-particle collision thereby reducing the inter-particle momentum transfer. Non-monotonicity in the observed behavior is then conjectured to arise due to competing effects of inter-particle friction and inter-particle collision. The present work and the overall observed behavior therein provides a simple experimental system to characterize the effects of added lubricant material in pharmaceutical and other relevant industrial applications.

}, keywords = {Friction, granular, Inclined plane, Lubrication, Powder}, issn = {0032-5910}, doi = {10.1016/j.powtec.2022.117809}, author = {Ghodake, Ravindra S. and Doshi, Pankaj and Orpe, V. Ashish} } @article {48164, title = {Functional diversity of the lepidopteran ATP-binding cassette transporters}, journal = {Journal of Molecular Evolution}, volume = {90}, year = {2022}, month = {AUG}, pages = {258-270}, type = {Review}, abstract = {

The ATP-binding cassette (ABC) transporter gene family is ubiquitous in the living world. ABC proteins bind and hydrolyze ATP to transport a myriad of molecules across various lipid-containing membrane systems. They have been studied well in plants for transport of a variety of compounds and particularly, in vertebrates due to their direct involvement in resistance mechanisms against several toxic molecules/metabolites. ABC transporters in insects are found within large multigene families involved in the efflux of chemical insecticides and toxic/undesired metabolites originating from food and endogenous metabolism. This review deals with ABC transporter subfamilies of few agronomically important Lepidopteran pests. The transcriptional dynamics and regulation of ABC transporters during insect development emphasizes their functional diversity against insecticides, Cry toxins, and plant specialized metabolites. To generate insights about molecular function and physiological roles of ABCs, functional and structural characterization is necessary. Also, expansion and divergence of ABC transporter gene subfamilies in Lepidopteran insects needs more systematic investigation. We anticipate that newer methods of insect control in agriculture can benefit from an understanding of ABC transporter interactions with a vast range of natural specialized molecules and synthetic compounds.

}, keywords = {ABC transporters, Bt, insecticide resistance, Lepidoptera, Plant metabolites}, issn = {0022-2844}, doi = {10.1007/s00239-022-10056-2}, author = {Barve, Pranoti R. and Tellis, Meenakshi B. and Barvkar, Vitthal T. and Joshi, Rakesh S. and Giri, Ashok P. and Kotkar, Hemlata M.} } @article {48401, title = {Glance at the chemodiversity of Ocimum species: Trends, implications, and strategies for the quality and yield improvement of essential oil}, journal = {Phytochemistry Reviews}, volume = {21}, year = {2022}, month = {JUN}, pages = {879-913}, type = {Review}, abstract = {

Ocimum species represent commercially important medicinal and aromatic plants. The essential oil biosynthesized by Ocimum species is enriched with specialized metabolites specifically, terpenoids and phenylpropanoids. Interestingly, various Ocimum species are known to exhibit diverse chemical profiles, and this chemical diversity has been at the center of many studies to identify commercially important chemotypes. Here, we present various chemotypes from the Ocimum species and emphasize trends, implications, and strategies for the quality and yield improvement of essential oil. Globally, many Ocimum species have been analyzed for their essential oil composition in over 50 countries. Asia represents the highest number of chemotypes, followed by Africa, South America, and Europe. Ocimum basilicum L. has been the most widespread and well-studied species, followed by O. gratissimum L., O. tenuiflorum L., O. canum Sims, O. americanum and O. kilimandscharicum Gurke. Moreover, various molecular reasons, benefits, adverse health effects and mechanisms behind this vast chemodiversity have been discussed. Different strategies of plant breeding, metabolic engineering, transgenic, and tissue-culture, along with anatomical modifications, are surveyed to enhance specific chemotypic profiles and essential oil yield in numerous Ocimum species. Consequently, chemical characterization of the essential oil obtained from Ocimum species has become indispensable for its proper utilization. The present chemodiversity knowledge from Ocimum species will help to exploit various applications in the industrial, agriculture, biopharmaceutical, and food sectors.

}, keywords = {Chemodiversity, Chemotype, Essential oil, Metabolic engineering, Ocimum, Specialized metabolites}, issn = {1568-7767}, doi = {10.1007/s11101-021-09767-z}, author = {Gurav, Tanuja P. and Dholakia, Bhushan B. and Giri, Ashok P.} } @article {48076, title = {Green synthesis of cyclohexanone to adipic acid over Fe-W oxides incorporated mesoporous carbon support}, journal = {Catalysis Communications}, volume = {168}, year = {2022}, month = {AUG}, pages = {106466}, type = {Article}, abstract = {

We have prepared iron and tungsten oxides incorporated mesoporous carbon (MC) catalysts using a simple hydrothermal methodology with different carbon sources, and the catalytic performance was investigated for cyclohexanone oxidation. An adequate amount of metal oxide loading has displayed a key role in the selective catalyst for adipic acid (AA) synthesis. The MC catalyst has shown its prime activity under the influence of redox properties of W5+/W6+ and Fe2+/Fe3+ as promoters. The 10\%Fe 90\%W-MC fructose as a carbon source catalyst has provided its best selectivity of 87\% for AA at 120 ?C.

}, keywords = {Adipic Acid, Liquid phase oxidation, mesoporous carbon, Redox center}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106466}, author = {Mekala, Siva Prasad and Prabu, Marimuthu and Gawali, Sheetal Datta and Gopakumar, Karthik and Gogoi, Pranjal and Bhatkar, Akash Ravindra and Mohapatra, Gourab and Unnikrishanan, Eeswar and Raja, Thirumalaiswamy} } @article {48227, title = {Gut microbiota dysbiosis in patients with intracranial sino-venous thrombosis and acute ischemic stroke in the young}, journal = {Annals of Indian Academy of Neurology}, volume = {25}, year = {2022}, month = {SEP-OCT}, pages = {980+}, type = {Letter}, issn = {0972-2327}, doi = {10.4103/aian.aian_393_22}, author = {Prabhu, Varsha A. and Rajput, Vinay and Yadav, Rakeshkumar and Gohil, Kushal and Dharne, Mahesh S. and Unnikrishnan, Mazhuvancherry Kesavan and Gorthi, Sankar Prasad} } @article {47901, title = {Hypersilyl substituent in heavier low-valent group 14 chemistry}, journal = {European Journal of Inorganic Chemistry}, volume = {2022}, year = {2022}, month = {APR }, pages = {e202200071}, type = {Review}, abstract = {

The isolation of unusual compounds with low-valent main-group elements would not have been possible without the development of a series of sterically demanding ligands with bulky substituents. While early literature recognizes the advent of the sterically demanding tris(trimethylsilyl)silyl (SiMe3)(3)Si- group, also known as hypersilyl group, to stabilize species with new coordination modes for the main group elements, it has largely been more recent studies that have utilized this group for isolating stable compounds with low-valent main-group elements. Such compounds are not only interesting from the structure-bonding point of view but showcase potential for small molecule activation under ambient conditions. This review will cover the recent developments in stabilizing unusual compounds with group 14 elements using the exceptionally strong sigma-donor properties and pronounced steric effects of the hypersilyl moiety, emphasizing their synthesis, structure, and reactivity.

}, keywords = {Germylenes, Hydroboration, Hypersilyl, silylenes, Stannylenes}, issn = {1434-1948}, doi = {10.1002/ejic.202200071}, author = {Gour, Kritika and Bisai, Milan Kumar and Sen, Sakya S.} } @article {48397, title = {Identification and characterization of the key enzyme in the biosynthesis of the neurotoxin beta-ODAP in grass pea}, journal = {Journal of Biological Chemistry}, volume = {298}, year = {2022}, month = {MAY}, pages = {101806}, type = {Article}, abstract = {

Grass pea (Lathyrus sativus L.) is a grain legume commonly grown in Asia and Africa for food and forage. It is a highly nutritious and robust crop, capable of surviving both droughts and floods. However, it produces a neurotoxic compound, beta-N- oxalyl-L-alpha,beta-diaminopropionic acid (beta-ODAP), which can cause a severe neurological disorder when consumed as a primary diet component. While the catalytic activity associated with beta-ODAP formation was demonstrated more than 50 years ago, the enzyme responsible for this activity has not been identified. Here, we report on the identity, activity, 3D structure, and phylogenesis of this enzyme-beta-ODAP synthase (BOS). We show that BOS belongs to the benzylalcohol O-acetyltransfer-ase, anthocyanin O-hydroxycinnamoyltransferase, anthranilate N-hydroxycinnamoyl/benzoyltransferase, deacetylvindoline 4-O-acetyltransferase superfamily of acyltransferases and is structurally similar to hydroxycinnamoyl transferase. Using molecular docking, we propose a mechanism for its catalytic activity, and using heterologous expression in tobacco leaves (Nicotiana benthamiana), we demonstrate that expression of BOS in the presence of its substrates is sufficient for beta-ODAP production in vivo. The identification of BOS may pave the way toward engineering beta-ODAP-free grass pea cultivars, which are safe for human and animal consumption.

}, doi = {10.1016/j.jbc.2022.101806}, author = {Goldsmith, Moshe and Barad, Shiri and Knafo, Maor and Savidor, Alon and Ben-Dor, Shifra and Brandis, Alexander and Mehlman, Tevie and Peleg, Yoav and Albeck, Shira and Dym, Orly and Ben-Zeev, Efrat and Barbole, Ranjit S. and Aharoni, Asaph and Reich, Ziv} } @article {48356, title = {Influence of ice templating on oxygen reduction catalytic activity of metal-free heteroatom-doped mesoporous carbon derived from polypyrrole for zinc-air batteries}, journal = {Energy Technology}, volume = {10}, year = {2022}, month = {DEC}, type = {Article}, abstract = {

The development of highly active, cost-effective, and durable, noble metal-free oxygen reduction electrocatalysts is inevitable for the full-fledged implementation of fuel cells and zinc-air batteries. This work reports the synthesis of heteroatom (N, P, S)-doped metal-free mesoporous carbon-based electrocatalyst derived from polypyrrole by combining the ice templating, freeze-drying, and carbonization processes. The correlation between the structure and electrochemical activity of the polypyrrole-derived carbon-based electrocatalyst in the presence and absence of ice templating is investigated. The optimized electrocatalyst, aided by the ice-templating and freeze-drying step, shows an onset and half-wave potential (E-1/2) of 0.94 and 0.78 V vs reversible hydrogen electrode, respectively, in an alkaline electrolyte (0.1 m KOH). Later, the application of the optimized electrocatalyst is demonstrated in a primary zinc-air battery (ZAB) cell. The results prove that the ZAB device performance based on the homemade catalyst is on par with that of the state-of-the-art Pt/C cathode. The catalyst performance is correlated with the heteroatom doping and the enhanced porosity of the sample benefitted from ice templating. Ultimately, this work depicts a facile and rational synthesis of a truly metal-free electrocatalyst for the primary ZABs that can be a potential replacement for state-of-the-art systems.

}, keywords = {metal-free electrocatalysts, oxygen reduction reaction, zinc-air batteries}, issn = {2194-4288}, doi = {10.1002/ente.202200840}, author = {Kurian, Maria and Ghosh, Meena and Vijayakumar, Vidyanand and Puthiyaveetil, Priyanka Pandinhare and Torris, Arun and Kurungot, Sreekumar} } @article {48188, title = {Influence of support textural property on CO2 to methane activity of Ni/ SiO2 catalysts}, journal = {Applied Catalysis B-Environmental}, volume = {317}, year = {2022}, month = {NOV}, pages = {121692}, type = {Article}, abstract = {

In this work, we elucidated the role of physicochemical textural properties of inert support on the catalyst ac-tivity by impregnating Ni on ordered mesoporous silica (SBA-15 and MCM-41) and non-mesoporous silica (nMPS). The catalyst Ni/SBA-15 exhibited the best CO2 conversion (83\%) and product selectivity (99.9 \%) followed by Ni/MCM-41 and the least by Ni/nMPS. The difference in the nature of the catalyst, degree of nanoparticle distribution and nanoparticle encapsulation by different silica support were studied by N2 adsorption-desorption and X-ray photoelectron spectroscopy (XPS) experiments. The Operando Diffused Reflec-tance Infrared Fourier Transform Spectroscopy were used to understand the variance in reaction pathway which is accredited to the textural properties of the support. The SBA-15 supported Ni catalyst followed dissociative CO pathway while MCM-41 and nMPS reacted through associative formate mechanism as major pathway. These findings provide a novel perspective on CO2 hydrogenation over Ni-silica, allowing us to tune both activity and selectivity.

}, keywords = {CO2 methanation, DRIFTS, Mesoporous silica support, Textural properties}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2022.121692}, author = {Cherevotan, Arjun and Ray, Bitan and Churipard, Sathyapal R. and Kaur, Komalpreet and Gautam, Ujjal K. and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48387, title = {Introduction to the themed collection on digitalization in reaction engineering}, journal = {Reaction Chemistry \& Engineering}, volume = {7}, year = {2022}, month = {MAR}, pages = {792-794}, type = {Editorial Material}, issn = {2058-9883}, doi = {10.1039/d2re90011d}, author = {Galvanin, Federico and Hartman, Ryan L. and Kulkarni, Amol A. and Nieves-Remacha, Maria Jose} } @article {48082, title = {Investigation of the captopril-insulin interaction by mass spectrometry and computational approaches reveals that captopril induces structural changes in insulin}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {JUL}, pages = {23115-23126}, type = {Article}, abstract = {

ABSTRACT: Post-translational modifications remarkably regulate proteins{\textquoteright} biological function. Small molecules such as reactive thiols, metabolites, and drugs may covalently modify the proteins and cause structural changes. This study reports the covalent modification and noncovalent interaction of insulin and captopril, an FDA-approved antihypertensive drug, through mass spectrometric and computation-based approaches. Mass spectrometric analysis shows that captopril modifies intact insulin, reduces it into its {\textquoteleft}{\textquoteleft}A{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}B{\textquoteright}{\textquoteright} chains, and covalently modifies them by forming adducts. Since captopril has a reactive thiol group, it might reduce the insulin dimer or modify it by reacting with cysteine residues. This was proven with dithiothreitol treatment, which reduced the abundance of captopril adducts of insulin A and B chains and intact Insulin. Liquid chromatography tandem mass spectrometric analysis identified the modification of a total of four cysteine residues, two in each of the A and B chains of insulin. These modifications were identified to be Cys6 and Cys7 of the A chain and Cys7 and Cys19 of the B chain. Mass spectrometric analysis indicated that captopril may simultaneously modify the cysteine residues of intact insulin or its subunits A and B chains. Biophysical studies involving light scattering and thioflavin T assay suggested that the binding of captopril to the protein leads to the formation of aggregates. Docking and molecular dynamics studies provided insights into the noncovalent interactions and associated structural changes in insulin. This work is a maiden attempt to understand the detailed molecular interactions between captopril and insulin. These findings suggest that further investigations are required to understand the long-term effect of drugs like captopril.

}, issn = {2470-1343}, doi = {10.1021/acsomega.2c00660}, author = {Ghosh, Amrita and Pawar, Aiswarya B. and Chirmade, Tejas and Jathar, Swaraj M. and Bhambure, Rahul and Sengupta, Durba and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article {48148, title = {Isoeugenol affects expression pattern of conidial hydrophobin gene RodA and transcriptional regulators MedA and SomA responsible for adherence and biofilm formation in Aspergillus fumigatus}, journal = {Archives of Microbiology}, volume = {204}, year = {2022}, month = {APR}, pages = {214}, type = {Article}, abstract = {

Aspergillus fumigatus is one of the major pathogenic fungal species, causing life-threatening infections. Due to a limited spectrum of available antifungals, exploration of new drug targets as well as potential antifungal molecules has become pertinent. Rodlet layer plays an important role in adherence of fungal conidia to hydrophobic cell surfaces in host, which also leads to A. fumigatus biofilm formation, contributing factor to fungal pathogenicity. From decades, natural sources have been known for the development of new active molecules. The present study investigates effect of isoeugenol on genes responsible for hydrophobins (RodA), adhesion as well as biofilm formation (MedA and SomA) of A. fumigatus. Minimum inhibitory concentrations (MIC and IC50) of isoeugenol against A. fumigatus were determined using broth microdilution assay. The IC50 results showed reduced hydrophobicity and biofilm formation as well as eradication after treatment with the compound and electron micrograph data corroborated these findings. The qRT-PCR showed a significant downregulation of genes RodA, MedA, SomA and pksP involved in hydrophobicity and biofilm formation. SwissADME studies potentiated drug-like propensity for isoeugenol which formed four hydrogen bonds with low binding energy (- 4.54 kcal/mol) at the catalytic site of RodA protein studied via AutoDock4. Hence, the findings conclude that isoeugenol inhibits conidial hydrophobicity and biofilm formation of A. fumigatus and further investigations are warranted in this direction.

}, keywords = {Aspergillus fumigatus, Hydrophobicity, Isoeugenol, Transcription regulators, Virulence}, issn = {0302-8933}, doi = {10.1007/s00203-022-02817-w}, author = {Gupta, Lovely and Sen, Pooja and Bhattacharya, Asish K. and Vijayaraghavan, Pooja} } @article {47809, title = {Isolation and characterization of chitosans from different fungi with special emphasis on zygomycetous dimorphic fungus benjaminiella poitrasii: evaluation of its chitosan nanoparticles for the inhibition of human pathogenic fungi}, journal = {Biomacromolecules}, year = {2022}, month = {JAN}, pages = {null}, type = {Article}, abstract = {The cell wall chitosan was extracted from fungi belonging to different taxonomic classes, namely, Benjaminiella poitrasii (Zygomycetes, dimorphic), Hanseniaspora guilliermondii, Issatchenkia orientalis, Pichia membranifaciens, and Saccharomyces cerevisiae (Ascomycetes, yeasts), and Agaricus bisporus and Pleurotus sajor-caju (Basidiomycetes). The maximum yield of chitosan was 60.89 {\textpm} 2.30 mg/g of dry mycelial biomass of B. poitrasii. The degree of deacetylation (DDA) of chitosan extracted from different fungi, as observed with 1H NMR, was in the range of 70{\textendash}93\%. B. poitrasii chitosan exhibited the highest DDA (92.78\%). The characteristic absorption bands were observed at 3450, 1650, 1420, 1320, and 1035 cm{\textendash}1 by FTIR. Compared to chitosan from marine sources (molecular weight, MW, 585 kDa), fungal chitosans showed lower MW (6.21{\textendash}46.33 kDa). Further, to improve the efficacy of B. poitrasii chitosan (Bp), nanoparticles (Np) were synthesized using the ionic gelation method and characterized by dynamic light scattering (DLS). For yeast and hyphal chitosan nanoparticles (BpYCNp and BpHCNp), the average particle size was <200 nm with polydispersity index of 0.341 {\textpm} 0.03 and 0.388 {\textpm} 0.002, respectively, and the zeta potential values were 21.64 {\textpm} 0.34 and 24.48 {\textpm} 1.58 mV, respectively. The B. poitrasii chitosans and their nanoparticles were further evaluated for antifungal activity against human pathogenic Candida albicans ATCC 10231, Candida glabrata NCYC 388, Candida tropicalis ATCC 750, Cryptococcus neoformans ATCC 34664, and Aspergillus niger ATCC 10578. BpHCNps showed lower MIC90 values (0.025{\textendash}0.4 mg/mL) than the chitosan polymer against the tested human pathogens. The study suggested that nanoformulation of fungal chitosan, which has low molecular weight and high \% DDA, is desirable for antifungal applications against human pathogens. Moreover, chitosans as well as their nanoparticles were found to be hemocompatible and are therefore safe for healthcare applications.}, doi = {10.1021/acs.biomac.1c01248}, url = {https://doi.org/10.1021/acs.biomac.1c01248}, author = {Mane, Shamala and Pathan, Ejaj and Tupe, Santosh and Deshmukh, Sneha and Kale, Deepika and Ghormade, Vandana and Chaudhari, Bhushan and Deshpande, Mukund} } @article {48117, title = {Kinetic model of GPCR-G protein interactions reveals allokairic modulation of signaling}, journal = {Biophysical Journal}, volume = {121}, year = {2022}, month = {FEB}, pages = {122}, type = {Meeting Abstract}, issn = {0006-3495}, author = {Culhane, Kelly and Gupte, Tejas and Madhugiri, Indrani and Gadgil, Chetan and Sivaramakrishnan, Sivaraj} } @article {48235, title = {Kupyaphores are zinc homeostatic metallophores required for colonization of Mycobacterium tuberculosis}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {119}, year = {2022}, month = {FEB}, pages = {e2110293119}, type = {Article}, abstract = {

Mycobacterium tuberculosis (Mtb) endures a combination of metal scarcity and toxicity throughout the human infection cycle, contributing to complex clinical manifestations. Pathogens counteract this paradoxical dysmetallostasis by producing specialized metal trafficking systems. Capture of extracellular metal by siderophores is a widely accepted mode of iron acquisition, and Mtb iron-chelating siderophores, mycobactin, have been known since 1965. Currently, it is not known whether Mtb produces zinc scavenging molecules. Here, we characterize low-molecular-weight zinc-binding compounds secreted and imported by Mtb for zinc acquisition. These molecules, termed kupyaphores, are produced by a 10.8 kbp biosynthetic cluster and consists of a dipeptide core of ornithine and phenylalaninol, where amino groups are acylated with isonitrilecontaining fatty acyl chains. Kupyaphores are stringently regulated and support Mtb survival under both nutritional deprivation and intoxication conditions. A kupyaphore-deficient Mtb strain is unable to mobilize sufficient zinc and shows reduced fitness upon infection. We observed early induction of kupyaphores in Mtb-infected mice lungs after infection, and these metabolites disappeared after 2 wk. Furthermore, we identify an Mtb-encoded isonitrile hydratase, which can possibly mediate intracellular zinc release through covalent modification of the isonitrile group of kupyaphores. Mtb clinical strains also produce kupyaphores during early passages. Our study thus uncovers a previously unknown zinc acquisition strategy of Mtb that could modulate host-pathogen interactions and disease outcome.

}, keywords = {metallophore, nutritional immunity, tuberculosis, zinc}, issn = {0027-8424}, doi = {10.1073/pnas.2110293119}, author = {Mehdiratta, Kritee and Singh, Shubham and Sharma, Sachin and Bhosale, Rashmi S. and Choudhury, Rahul and Masal, Dattatraya P. and Manocha, Alzu and Dhamale, Bhushan Dilip and Khan, Naseem and Asokachandran, Vivekanand and Sharma, Pooja and Ikeh, Melanie and Brown, Amanda C. and Parish, Tanya and Ojha, Anil K. and Michael, Joy Sarojini and Faruq, Mohammed and Medigeshi, Guruprasad R. and Mohanty, Debasisa and Reddy, D. Srinivasa and Natarajan, Vivek T. and Kamat, Siddhesh S. and Gokhale, Rajesh S.} } @article {48364, title = {Lewis acid-catalyzed chemodivergent and regiospecific reaction of phenols with quaternary peroxyoxindoles}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {NOV }, pages = {14155-14167}, type = {Article}, abstract = {

The indium-catalyzed regiospecific coupling of substituted phenol derivatives and quaternary peroxyoxindoles for the synthesis of C2 or C4 benzoxazin-3-one-substituted phenols via skeletal rearrangement is described. This reaction is demonstrated with 17 examples with good yields and diverse aryl substituents. In contrast to the indium-catalyzed reaction, the Cu(OTf)2- catalyzed reaction of the phenol with quaternary peroxyoxindoles afforded C2 or C4 2-oxindole-substituted phenol derivatives. This diverse catalytic reaction generated various biologically important phenol-substituted 2-oxindole derivatives directly without any skeleton rearrangement and was demonstrated with 19 examples in high yield. The regiospecificity and the reaction pathways were explained with the support of density functional theory (DFT).

}, issn = {0022-3263}, doi = {10.1021/acs.joc.2c01701}, author = {Shaikh, Moseen A. and Samal, Pragnya Paramita and Ubale, Akash S. and Krishnamurty, Sailaja and Gnanaprakasam, Boopathy} } @article {48071, title = {Ligand dynamics time scales identify the surface-ligandinteractions in thiocyanate-capped cadmium sulfide nanocrystals}, journal = {Journal of Physical Chemistry Letters}, volume = {13}, year = {2022}, month = {APR }, pages = {3059-3065}, type = {Article}, abstract = {

The nanocrystal surface, which acts as an interface between thesemiconductor lattice and the capping ligands, plays a significant role in theattractive photophysical properties of semiconductor nanocrystals for use in awide range of applications. Replacing the long-chain organic ligands with shortinorganic variants improves the conductivity and carrier mobility of nanocrystal-based devices. However, our current understanding of the interactions betweenthe inorganic ligands and the nanocrystals is obscure due to the lack ofexperiments to directly probe the inorganic ligands. Herein, using two-dimensional infrared spectroscopy, we show that the variations in the inorganicligand dynamics within the heterogeneous nanocrystal ensemble can identifythe diversities in the inorganic ligand-nanocrystal interactions. The liganddynamics time scale in SCN-capped CdS nanocrystals identifies three distinctligand populations and provides molecular insight into the nanocrystal surface.Our results demonstrate that the SCN-ligands engage in a dynamic equilibriumand stabilize the nanocrystals by neutralizing the surface charges through both direct binding and electrostatic interaction.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.2c00493}, author = {Deshmukh, Samadhan H. and Chatterjee, Srijan and Ghosh, Deborin and Bagchi, Sayan} } @article {48220, title = {Lignocellulose degradation by Penicillium janthinellum enzymes is influenced by its variable secretome and a unique set of feedstock characteristics}, journal = {Bioresource Technology}, volume = {365}, year = {2022}, month = {DEC}, pages = {128129}, type = {Article}, abstract = {

Substrate characteristics and proteins that affect lignocellulose-hydrolysis by the hypercellulolytic fungus Peni-cillium janthinellum NCIM 1366 (PJ-1366) were investigated. The hydrolysis rate of PJ-1366 enzymes was very high, with upto 75 \% of the reaction being completed in initial 4 h. Comparison of the hydrolytic efficiencies on differently pretreated biomass indicated that the greatest (negative) effect was imparted by lignin, suggesting that improving ligninase activity of the PJ-1366 enzymes may help to improve hydrolysis. Larger pore sizes and higher crystallinity of substrates, which favor enzyme penetration and processive hydrolysis, positively influ-enced hydrolysis efficiency. For alkali-pretreated substrates, 16 FPU/g of PJ-1366 cellulases released the sugar -equivalent of using 10 FPU/g of a commercial biomass hydrolyzing enzyme. By correlation analysis, 41 proteins, including 20 CAZymes were identified, whose abundance in the secretome positively correlated with the cellulase activities of the culture filtrate. These proteins may be considered as the primary drivers of FPase/ CMCase/pNPGase/xylanase activity in PJ-1366.

}, keywords = {Biofuel, CAZyme, Cellulase, Penicillium, Secretome}, issn = {0960-8524}, doi = {10.1016/j.biortech.2022.128129}, author = {Christopher, Meera and Sreeja-Raju, Athiraraj and Sankar, Meena and Gokhale, Digambar Vitthal and Pandey, Ashok and Sukumaran, Rajeev K.} } @article {48150, title = {Luminescence turn-off detection of metal ions and explosives using graphene quantum dots}, journal = {MRS Communications}, volume = {12}, year = {2022}, month = {APR}, pages = {168-174}, type = {Article}, abstract = {

Green luminescent graphene quantum dots (GQDs) obtained from combustion of white printing paper were used for detection of fourteen different metal ions and six different explosives in an aqueous medium. These were obtained using a microwave-assisted synthesis process. After optimizing the experimental conditions (pH 6; quantum yield (QY) similar to 38.2\%), a sensitive sensing system was developed to detect explosives and free residual metal ions in the environment based on fluorescence quenching of GQDs. The as-synthesized GQDs, as a sensing system, is most sensitive for Cu2+ ion and 2,4-DNP with a detection limit of 0.62 mu M and 0.50 mu M, respectively.

}, issn = {2159-6859}, doi = {10.1557/s43579-022-00157-w}, author = {Jyotsna, Shubhra and Sadhu, Subha and Sharma, Vinay and Gupta, Preeti and Sharma, Geeta and Poddar, Pankaj} } @article {48154, title = {Luminescent magnesium complexes with intra- and inter-ligand charge transfer}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {OCT}, pages = {11843-11846}, type = {Article}, abstract = {

Herein, we report two 2,2{\textquoteright}-pyridylpyrrolide (PyPyrH) ligand supported magnesium complexes (1 and 2), which demonstrate bright luminescence with a quantum yield of 22\% and 14\% in the solid state, respectively. Theoretical calculations reveal that their emissive properties originate from the intra- and inter-ligand charge transfer.

}, issn = {1359-7345}, doi = {10.1039/d2cc04142a}, author = {Kumar, Rohit and Pahar, Sanjukta and Chatterjee, Joy and Dash, Soumya Ranjan and Gonnade, Rajesh G. and Vanka, Kumar and Sen, Sakya S.} } @article {48236, title = {Machine learning-based approach to determine infection status in recipients of BBV152 (Covaxin) whole-virion inactivated SARS-CoV-2 vaccine for serological surveys}, journal = {Computers in Biology and Medicine}, volume = {146}, year = {2022}, month = {JUL}, pages = {105419}, type = {Article}, abstract = {

Data science has been an invaluable part of the COVID-19 pandemic response with multiple applications, ranging from tracking viral evolution to understanding the vaccine effectiveness. Asymptomatic breakthrough infections have been a major problem in assessing vaccine effectiveness in populations globally. Serological discrimination of vaccine response from infection has so far been limited to Spike protein vaccines since whole virion vaccines generate antibodies against all the viral proteins. Here, we show how a statistical and machine learning (ML) based approach can be used to discriminate between SARS-CoV-2 infection and immune response to an inactivated whole virion vaccine (BBV152, Covaxin). For this, we assessed serial data on antibodies against Spike and Nucleocapsid antigens, along with age, sex, number of doses taken, and days since last dose, for 1823 Covaxin recipients. An ensemble ML model, incorporating a consensus clustering approach alongside the support vector machine model, was built on 1063 samples where reliable qualifying data existed, and then applied to the entire dataset. Of 1448 self-reported negative subjects, our ensemble ML model classified 724 to be infected. For method validation, we determined the relative ability of a random subset of samples to neutralize Delta versus wild-type strain using a surrogate neutralization assay. We worked on the premise that antibodies generated by a whole virion vaccine would neutralize wild type more efficiently than delta strain. In 100 of 156 samples, where ML prediction differed from self-reported uninfected status, neutralization against Delta strain was more effective, indicating infection. We found 71.8\% subjects predicted to be infected during the surge, which is concordant with the percentage of sequences classified as Delta (75.6\%-80.2\%) over the same period. Our approach will help in real-world vaccine effectiveness assessments where whole virion vaccines are commonly used.

}, keywords = {BBV152, Covaxin, COVID-19, Ensemble methods, Infection, machine learning, SARS-CoV-2}, issn = {0010-4825}, doi = {10.1016/j.compbiomed.2022.105419}, author = {Singh, Prateek and Ujjainiya, Rajat and Prakash, Satyartha and Naushin, Salwa and Sardana, Viren and Bhatheja, Nitin and Singh, Ajay Pratap and Barman, Joydeb and Kumar, Kartik and Gayali, Saurabh and Khan, Raju and Rawat, Birendra Singh and Tallapaka, Karthik Bharadwaj and Anumalla, Mahesh and Lahiri, Amit and Kar, Susanta and Bhosale, Vivek and Srivastava, Mrigank and Mugale, Madhav Nilakanth and Pandey, C. P. and Khan, Shaziya and Katiyar, Shivani and Raj, Desh and Ishteyaque, Sharmeen and Khanka, Sonu and Rani, Ankita and Promila and Sharma, Jyotsna and Seth, Anuradha and Dutta, Mukul and Saurabh, Nishant and Veerapandian, Murugan and Venkatachalam, Ganesh and Bansal, Deepak and Gupta, Dinesh and Halami, Prakash M. and Peddha, Muthukumar Serva and Veeranna, Ravindra P. and Pal, Anirban and Singh, Ranvijay Kumar and Anandasadagopan, Suresh Kumar and Karuppanan, Parimala and Rahman, Syed Nasar and Selvakumar, Gopika and Venkatesan, Subramanian and Karmakar, Malay Kumar and Sardana, Harish Kumar and Kothari, Anamika and Parihar, Devendra Singh and Thakur, Anupma and Saifi, Anas and Gupta, Naman and Singh, Yogita and Reddu, Ritu and Gautam, Rizul and Mishra, Anuj and Mishra, Avinash and Gogeri, Iranna and Rayasam, Geethavani and Padwad, Yogendra and Patial, Vikram and Hallan, Vipin and Singh, Damanpreet and Tirpude, Narendra and Chakrabarti, Partha and Maity, Sujay Krishna and Ganguly, Dipyaman and Sistla, Ramakrishna and Balthu, Narender Kumar and Kumar, Kiran A. and Ranjith, Siva and Kumar, B. Vijay and Jamwal, Piyush Singh and Wali, Anshu and Ahmed, Sajad and Chouhan, Rekha and Gandhi, Sumit G. and Sharma, Nancy and Rai, Garima and Irshad, Faisal and Jamwal, Vijay Lakshmi and Paddar, Masroor Ahmad and Khan, Sameer Ullah and Malik, Fayaz and Ghosh, Debashish and Thakkar, Ghanshyam and Barik, S. K. and Tripathi, Prabhanshu and Satija, Yatendra Kumar and Mohanty, Sneha and Khan, Md Tauseef and Subudhi, Umakanta and Sen, Pradip and Kumar, Rashmi and Bhardwaj, Anshu and Gupta, Pawan and Sharma, Deepak and Tuli, Amit and Chaudhuri, Saumya Ray and Krishnamurthi, Srinivasan and Prakash, L. and Rao, V. Ch and Singh, B. N. and Chaurasiya, Arvindkumar and Chaurasiya, Meera and Bhadange, Mayuri and Likhitkar, Bhagyashree and Mohite, Sharada and Patil, Yogita and Kulkarni, Mahesh and Joshi, Rakesh and Pandya, Vaibhav and Mahajan, Sachin and Patil, Amita and Samson, Rachel and Vare, Tejas and Dharne, Mahesh and Giri, Ashok and Mahajan, Sachin and Paranjape, Shilpa and Sastry, G. Narahari and Kalita, Jatin and Phukan, Tridip and Manna, Prasenjit and Romi, Wahengbam and Bharali, Pankaj and Ozah, Dibyajyoti and Sahu, RaviKumar and Dutta, Prachurjya and Singh, Moirangthem Goutam and Gogoi, Gayatri and Tapadar, Yasmin Begam and Babu, Elapavalooru V. S. S. K. and Sukumaran, Rajeev K. and Nair, Aishwarya R. and Puthiyamadam, Anoop and Valappil, Prajeesh Kooloth and Prasannakumari, Adrash Velayudhan Pillai and Chodankar, Kalpana and Damare, Samir and Agrawal, Ved Varun and Chaudhary, Kumardeep and Agrawal, Anurag and Sengupta, Shantanu and Dash, Debasis} } @article {47810, title = {Mathematical model of the multi-amino acid multi-transporter system predicts uptake flux in CHO cells}, journal = {Journal of Biotechnology}, volume = {344}, year = {2022}, month = {JAN}, pages = {40-49}, type = {Article}, abstract = {Supply and uptake of amino acids is of great importance to mammalian cell culture processes. Mammalian cells such as Chinese hamster ovary (CHO) cells express several amino acid (AA) transporters including uniporters and exchangers. Each transporter transports multiple AAs, making prediction of the effect of changed medium composition or transporter levels on individual AA transport rate challenging. A general kinetic model for such combinatorial amino acid transport, and a simplified analytical expression for the uptake rate as a function of amino acid concentrations and transporter levels is presented. From this general model, a CHO cell-specific AA transport model, to our knowledge the first such network model for any cell type, is constructed. The model is validated by its prediction of reported uptake flux and dependencies from experiments that were not used in model construction or parameter estimation. The model defines theoretical conditions for synergistic/repressive effect on the uptake rates of other AAs upon external addition of one AA. The ability of the CHO-specific model to predict amino acid interdependencies experimentally observed in other mammalian cell types suggests its robustness. This model will help formulate testable hypotheses of the effect of process changes on AA initial uptake, and serve as the AA transport component of kinetic models for cellular metabolism.}, keywords = {Amino acid transport, CHO cell, Exchanger, mathematical model, Multiple transporters}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2021.12.003}, author = {Sreejan, Ashley and Gadgil, Mugdha and Gadgil, Chetan J.} } @article {47984, title = {Methanol-to-light olefins reaction using Zn-Ag modified SSZ-13 catalyst}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {SEP}, pages = {e202201476}, type = {Article}, abstract = {

The 2 wt.\% of Zn and Ag (Zn1-x-Ag-x; x=0.2, 0.4, 0.6 \%) modified SSZ-13 (SZ-13) zeolite was prepared by wet-impregnation method, and its catalytic activity was demonstrated for methanol-to-olefin (MTO). The Zn-0.6-Ag-0.4/SZ-13 catalyst exhibited high catalytic activity due to change in properties of catalyst. The Zn particles were highly dispersed inside the SZ-13; while Ag particles were dispersed on the surface of SZ-13, confirmed by HRTEM and surface area. The small \% of Ag over SZ-13 promotes ethylene production via aromatization of reaction, and highly dispersed Zn on SZ-13 help to produce stable ethylene and propylene. The Zn-0.6-Ag-0.4/SZ-13 catalyst showed (similar to 10 \%) higher light olefin (87 \%) selectivity than parent SZ-13 as well as mono metal incorporated SZ-13. The higher catalytic activity was attributed due to effect of both metals (Zn and Ag), where Ag promotes partial aromatization on the surface, and Zn increases the Lewis acidity in the zeolite pore. This catalyst can help to improve the selectivity of light olefin using MTO reaction.

}, keywords = {Ethylene, Methanol-to-Olef, Propyl, Silver, SSZ, zinc}, issn = {2365-6549}, doi = {10.1002/slct.202201476}, author = {Dange, Rutvija M. and Gawali, Chirag B. and Niphadkar, Prashant S. and Bokade, Vijay V. and Nandanwar, Sachin U.} } @article {48021, title = {Microwave-assisted selective N-alkylation of aniline over molybdenum supported catalyst}, journal = {Catalysis Communications}, volume = {168}, year = {2022}, month = {AUG}, pages = {106464}, type = {Article}, abstract = {

Selective N-alkylation of aniline is a tough and challenging reaction due to over alkylation, therefore, catalyst with specific characteristics is needed to accomplish such transformations. In this work, a series of catalysts with molybdenum supported on alumina are prepared and subjected to various reaction conditions, out of which 30 PMA (Phosphomolybdic acid) showed the best result due to its proper combination of acidic sites. This reaction is sustainable and environmentally friendly as it is carried out with methanol as an alkylating source in the presence of microwave radiation at low temperature. The reaction data was compared with various other reactor systems too.

}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106464}, author = {Bhatkar, Akash and Mane, Samruddhi and Mekala, Siva Prasad and Gogoi, Pranjal and Mohapatra, Gourab and Ramakrishnan, Archana and Marimuthu, Prabu and Thirumalaiswamy, Raja} } @article {47118, title = {Molecular elucidation of pancreatic elastase inhibition by baicalein}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {40}, year = {2022}, month = {JUL}, pages = {5759-5768}, type = {Article}, abstract = {

The serine protease, elastase exists in various forms and plays diverse roles in the human body. Pharmacological inhibition of elastase has been investigated for its therapeutic role in managing conditions such as diabetes, pneumonia and arthritis. Sivelestat, a synthetic molecule, is the only elastase inhibitor to have been approved by any major drug regulatory authority (PMDA, in this case) - but still has failed to attain widespread clinical usage owing to its high price, cumbersome administration and obscure long-term safety profile. In order to find a relatively better-suited alternative, screening was conducted using plant flavonoids, which yielded baicalein, a molecule that showed robust inhibition against Pancreatic Elastase inhibition (IC50: 3.53 mu M). Other than having a considerably lower IC(50)than sivelestat, baicalein is also cheaper, safer and easier to administer. While MicroScale Thermophoresis validated baicalein-elastase interaction, enzyme-kinetic studies, molecular docking and molecular dynamic simulation revealed the mode of inhibition to be non-competitive. Baicalein exhibited binding to a distinct allosteric site on the enzyme. The current study demonstrates the elastase inhibition properties of baicalein in an in-vitro and in-silico environment.

}, keywords = {Baicalein, elastase, Enzyme inhibition, molecular interaction, sivelestat}, issn = {0739-1102}, doi = {10.1080/07391102.2021.1873189}, author = {Ghosh, Debajeet and Bansode, Sneha and Joshi, Rakesh and Kolte, Baban and Gacche, Rajesh} } @article {48141, title = {Monomeric magnesium catalyzed alkene and alkyne hydroboration}, journal = {Chemistry-A European Journal}, volume = {28}, year = {2022}, month = {OCT }, type = {Article}, abstract = {

In this work, two monomeric magnesium alkyl complexes (1 and 2) were prepared using bis(phosphino)carbazole framework and among them 1 has been used as a catalyst for hydroboration of alkenes and alkynes with pinacolborane (HBpin). A broad variety of aromatic and aliphatic alkenes and alkynes were efficiently reduced. Anti-Markovnikov regioselective hydroboration of alkenes and alkynes was achieved, which was confirmed by deuterium-labelling experiments. The work represents the first example of the use of magnesium in homogeneous catalytic hydroboration of alkene with broad substrate scope. Experimental mechanistic investigations and DFT calculations provided insights into the reaction mechanism. Finally, the hydroboration protocol was extended to terpenes.

}, keywords = {carbazole, Magnesium, monomeric complexes, phosphorous, X-ray Structure}, issn = {0947-6539}, doi = {10.1002/chem.202201896}, author = {Kumar, Rohit and Dutta, Sayan and Sharma, Vishal and Singh, Praval P. and Gonnade, Rajesh G. and Koley, Debasis and Sen, Sakya S.} } @article {47770, title = {Novel 3-fluoro-4-morpholinoaniline derivatives: synthesis and assessment of anti-cancer activity in breast cancer cells}, journal = {Journal of Molecular Structure}, volume = {1253}, year = {2022}, month = {APR }, pages = {132127}, type = {Article}, abstract = {Heterocyclic morpholine compounds are well-known for their anti-cancer activity. In this study, novel morpholine and its sulfonamide derivatives were designed and synthesized as potential anti-tumor agents. The new compounds were obtained from amine derivatives via nucleophilic addition reactions, providing the desired products in 70 to 90\% yield. The docking analysis was performed for all thirty-one compounds. Out of them, we represent the docking poses for compounds NAM-5 and NAM-7 as representatives. After docking analysis, compounds NAM-5 and NAM- 7 were tested for in vitro antitumor activity against breast cancer cell lines (MCF-7 and MDA-MB-231) and healthy mouse embryonic fibroblast cell line (3T3L-1). Amongst these, sulfonamide group-containing compound NAM-5 showed significant anti-proliferative activity with IC50 of 1.811 mu M and 2.143 mu M for MCF-7 and MDA-MB-231 cells, respectively. On the other hand, NAM-7 showed good anti-proliferative activity against MCF-7 (IC50 1.883 mu M) but slightly lower activity against MDA-MB-231 cells (IC50 4.688 mu M). The activity of both the compound was also tested on 3T3L-1 Cell line which showed activity similar to clinically approved anti-cancer drug doxorubicin (DOX). The cell death analysis by flow-cytometry confirmed apoptosis mediated cell death in 3T3L-1, MCF-7 and MDA-MB-231 cells when treated with the NAM-5 and NAM-7, respectively. The results demonstrated that the synthesized sulfonamide derivatives have significant potential as anti-cancer agents and have a substantial importance in cancer therapeutics with favourable safety profile. Structural analysis of docked poses of sulfonamide derivatives attempts to shed light on the structural basis of sulfonamide derivatives based anti-cancer effect. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Anticancer activity, Apoptosis, Breast cancer, Heterocyclic compounds, Morpholine, Sulfonamide}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2021.132127}, author = {More, Namita A. and Jadhao, Nitin L. and Meshram, Rohan J. and Tambe, Prajakta and Salve, Rajesh A. and Sabane, Jagjivan K. and Sawant, Sanskruti N. and Gajbhiye, Virendra and Gajbhiye, Jayant M.} } @article {48175, title = {Novel crystal forms of Entresto: a supramolecular complex of trisodium sacubitril/valsartan hemi-pentahydrate}, journal = {Crystengcomm}, volume = {24}, year = {2022}, month = {OCT}, pages = {7387-7393}, type = {Article}, abstract = {

Entresto is a salt-cocrystal supramolecular complex with the chemical name trisodium sacubitril/valsartan hemi-pentahydrate for treating chronic heart failure and was approved by the US FDA in 2015. This multidrug complex was synthesized in our laboratory to investigate its polymorphic behavior. Different crystallization conditions, including various solvent systems, yielded different novel solid forms of Entresto (Form-I to Form-VI), including the reported form. All the novel solids are solvent-dependent and were reproducibly crystallized on a 10 g scale quantity. The 1H NMR spectra confirmed the 1 : 1 stoichiometry of the two drugs, namely, sacubitril and valsartan, in all the solid forms of the crystalline products. Powder X-ray diffraction and DSC analysis of the crystalline solids established that they are distinct crystalline forms. Stability studies under ambient conditions carried out over a one-year period showed higher stability for Form-I and Form-III compared to the other forms, including the innovator crystal form (labelled as Form-II). The novel crystal forms (notably Form-I and Form-III) exhibit higher stability and less hygroscopicity than the reported Form-II.

}, doi = {10.1039/d2ce01009g}, author = {Shaikh, Tabrez R. and George, Christy P. and Bhukya, Priyanka and Shelke, Nikita and Pawar, Komal and Garai, Abhijit and Dandela, Rambabu and Gonnade, Rajesh G. and Nangia, Ashwini K.} } @article {48167, title = {On-off infrared absorption of the S=O vibrational probe of dimethyl sulfoxide}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {JUN}, pages = {4501-4508}, type = {Article}, abstract = {

Dimethyl sulfoxide (DMSO), a polar solvent molecule, is used in a wide range of therapeutic and such as dimerization and hydrogen bonding with water, are crucial to understanding the role of DMSO in applications. Herein, we study DMSO in various solvation environments to decipher the environment-dependent dimerization and hydrogen-bonding propensity. We use a combination of infrared spectroscopy, quantum mechanical calculations, and molecular dynamics simulations to reach our conclusions. Although DMSO can exist in a dynamic equilibrium between monomers and dimers, our results show that the relative intensity of the S=O stretch and the CH3 rocking modes is a spectroscopic indicator of the extent of DMSO dimerization in solution. The dimerization (self-association) is seen to be maximum in neat DMSO. When dissolved in different solvents, the dimerization propensity decreases with increasing solvent polarity. In the presence of a protic solvent, such as water, DMSO forms a hydrogen bond with the solvent molecules, thereby reducing the extent of dimerization. Further, we estimate the hydrogen-bond occupancy of DMSO. Our results show that DMSO predominantly exists as doubly hydrogen-bonded in water.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c105584501J}, author = {Chakrabarty, Suranjana and Deshmukh, Samadhan H. and Barman, Anjan and Bagchi, Sayan and Ghosh, Anup} } @article {48072, title = {Perception of glycerol carbonate as green chemical: synthesis and applications}, journal = {Catalysis Communications}, volume = {172}, year = {2022}, month = {DEC}, pages = {106542}, type = {Article}, abstract = {

Glycerol carbonate (GC) is a prominent component in industrial practice and has a remarkable potential for the sophisticated applications. While GC has come into prominence due to the perceived overflow of glycerol (GLY) as a coproduct of biodiesel industry, its contemporary and future downstream applications are driving tremendous interest in recent years. This review comprises strategies for glycerol carbonate synthesis, properties and its applications. The conversion of GLY to GC via transesterification has appeared in consensus to be the most promising route. A detailed explanation of the effect of the catalysts and operating conditions on the GC yield to provide an updated understanding of the process are summarized. Future directions for GC production through catalytic transesterification are also discussed.

}, keywords = {Biodiesel, biofuels, catalysis, Glycerol, Glycerol carbonate, green chemistry, transesterification}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106542}, author = {Gade, Swapna M. and Saptal, Vitthal B. and Bhanage, Bhalchandra M.} } @article {48063, title = {Pharmaceutical standardization and physicochemical characterization of traditional ayurvedic mineral drug red ochre roasted in cow{\textquoteright}s ghee (Shuddha Gairik)}, journal = {Indian Journal of Traditional Knowledge}, volume = {21}, year = {2022}, month = {APR}, pages = {303-316}, type = {Article}, abstract = {

Rasashastra is a pharmaceutics branch of Ayurveda describing scientific methods to convert metals and minerals into bio-compatible formulations used individually or plant admixed to enhance their bioavailability and efficacy. In the present study, red ochre (Gairik) powder was processed in cow{\textquoteright}s ghee by textual method of roasting. The steps of preparation and changes in the properties therein were documented and validated in triplicate batches to develop a monograph. Ayurvedic and basic tests were performed to determine the properties of Shuddha Gairik. The physical characterization included Scanning Electron Microscopy (SEM), X-ray Diffraction (XRD), Fourier Transform Infra-red (FT-IR), Dynamic Light Scattering (DLS) and Thermo-gravimetric Analysis (TGA). Elemental composition was estimated by titration and gravimetric analysis while heavy metal limits were assessed using Inductively Coupled Plasma Optical Emission Spectrophotometry (ICPOES). This study depicted that crude red ochre, containing Kaolinite with high iron percentage, on roasting in cow{\textquoteright}s ghee led to the formation of fatty acids adsorbed red ochre particles. The developed monograph will be a guideline to the Ayurvedic industry for precise formulation of Shuddha Gairik. This will help researchers for better understanding the importance of Ayurvedic methods of pharmaceutical preparations and carry out their mechanistic studies in various diseases.

}, keywords = {Ferric oxide, Gairik, Kaolinite, Monograph, Red ochre, Roasting}, issn = {0972-5938}, author = {Chavan, S. B. and Gupta, V. S. and Deshmukh, V. V. and Sardeshmukh, S. P.} } @article {48124, title = {Polymorphs of green fluorescence protein chromophore analogue: fluorescence switching with thermal stimuli}, journal = {Crystal Growth \& Design}, volume = {22}, year = {2022}, month = {MAR }, pages = {1892-1905}, type = {Article}, abstract = {

Polymorphs of fluorescent organic materials offer significant implications in optoelectronics and advanced materials as they modulate photoluminescence properties. A slight alteration in the conformation/packing of molecules in the crystals shows variation in photoluminescence. This necessitates the polymorph screening of these materials to develop novel crystalline forms with distinct fluorescence emissions for broader application. In continuation of our work on the polymorph screening of Green Fluorescence Protein Chromophore (GFPc), we have synthesized a new imidazoline derivative, ethyl (Z)-2-(2-methyl-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-imi dazol-1- yl)acetate (1). Polymorph screening of 1 under different crystallization conditions revealed three polymorphs, Form I (needle), Form II (block), and Form III (polycrystalline material). Forms I and II are the outcome of solution crystallization, whereas Form III was produced from the melt crystallization of Forms I and II. DSC, HSM, and powder and single-crystal XRD studies indicate the conversion of Form I and Form III crystals to Form II crystals on thermal stimuli. The photoluminescence studies revealed cyan, yellow, and yellowish-green fluorescence emission for Forms I, II, and III crystals, respectively. The difference in photoluminescence could be due to the variance in aggregation modes like H-aggregation in Form I and J-aggregation in Form II crystals. Form I, Form II, and Form III crystals also showed irreversible thermal fluorescent switching from cyan-yellow-green due to polymorphic phase transitions. The study correlates the direct observation of the modulation of the excited-state transition under thermal stimuli in the crystalline phase. It will help augment the pace in the research of thermally responsive fluorescent materials.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.1c01459}, author = {Mali, Bhupendra P. and Dash, Soumya Ranjan and Biswas, Anupam and Vanka, Kumar and Manoj, Kochunnoonny and Gonnade, Rajesh G.} } @article {48345, title = {Possible fine-tuning of methane activation toward C2 oxygenates by 3d-transition metal-ions doped nano-ceria-zirconia}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {DEC }, pages = {19577-19587}, type = {Article}, abstract = {

In this work, we demonstrate a simple sol-gel technique to prepare metal-ion(s)-doped ceria-zirconia solid solution for efficient catalytic methane activation. The cation -depicting formula units are Ce0.80Zr0.20 (CZ), Ce0.79Zr0.20M0.01 (CZM), and Ce0.79Zr0.20M0.005M10.005 (CZMM1) (M and M1 = V, Mn, Fe, Co, and Cu), employed for undoped, mono-metal-ion -doped, and bi-metal-ion-doped solid solutions, respectively. Methane activation with Mn, Fe, Cu mono-metal-ion-doped CZ favors the C1 product, while CZCo assists C-C coupling with the formation of acetaldehyde. On the other hand, the Co-and Fe -doped bi-metal-ion combination catalyst (CZCoFe) shows significant ethanol but predominant formic acid formation. This is further promoted by the Co + V bi-metal-ion combination (CZCoV) catalyst, and it shows ethanol as the major product along with methyl hydrogen peroxide, methanol, and formic acid as minor products. An impressive ethanol yield of 93 mu mol/g h with 76\% selectivity obtained with the CZCoV catalyst is at par with that obtained with noble-metal-based catalysts under comparable reaction conditions. When Co and V content was increased two and four times from 0.005 to 0.01 and 0.02, ethanol yield increased at the expense of formic acid. The 213 mu mol/g h ethanol yield (86\% selectivity) observed with Ce0.76Zr0.20Co0.02V0.02 is probably the highest observed. The partial oxidation of CH4 in Co-based bi-metal combinations (Co + V or Co + Fe) suggests the synergistic effect of doped metal ions owing to the heterogeneous near -neighbor environment. The present results are attributed to the surface heterogeneity between the host and the dopants, which selectively promotes methane activation as well as C-C coupling. This indicates a large scope to tune the activity of partial oxidation of methane and product selectivity with different metal-ion(s) combinations.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c03493}, author = {Kanungo, Subhashree S. and Mishra, Abhaya Kumar and Mhamane, Nitin B. and Marelli, Udaya Kiran and Kumar, Dharmesh and Gopinath, Chinnakonda S.} } @article {48057, title = {Predicting the redox potentials of phenazine derivatives using DFT-assisted machine learning}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {APR }, pages = {11742-11755}, type = {Article}, abstract = {

This study investigates four machine-learning (ML) models to predict the redox potentials of phenazine derivatives in dimethoxyethane using density functional theory (DFT). A small data set of 151 phenazine derivatives having only one type of functional group per molecule (20 unique groups) was used for the training. Prediction accuracy was improved by a combined strategy of feature selection and hyperparameter optimization, using the external validation set. Models were evaluated on the external test set containing new functional groups and diverse molecular structures. High prediction accuracies of R2 \> 0.74 were obtained on the external test set. Despite being trained on the molecules with a single type of functional group, models were able to predict the redox potentials of derivatives containing multiple and different types of functional groups with good accuracies (R2 \> 0.7). This type of performance for predicting redox potential from such a small and simple data set of phenazine derivatives has never been reported before. Redox flow batteries (RFBs) are emerging as promising candidates for energy storage systems. However, new green and efficient materials are required for their widespread usage. We believe that the hybrid DFT-ML approach demonstrated in this report would help in accelerating the virtual screening of phenazine derivatives, thus saving computational and experimental costs. Using this approach, we have identified promising phenazine derivatives for green energy storage systems such as RFBs.

}, issn = {2470-1343}, doi = {10.1021/acsomega.1c06856}, author = {Ghule, Siddharth and Dash, Soumya Ranjan and Bagchi, Sayan and Joshi, Kavita and Vanka, Kumar} } @article {48104, title = {Process development for crystalline xylitol production from corncob biomass by Pichia caribbica}, journal = {Food and Bioproducts Processing}, volume = {133}, year = {2022}, month = {MAY}, pages = {45-56}, type = {Article}, abstract = {

Xylitol, a commodity chemical, is widely used in nutraceutical and pharmaceutical formulations. Microbial xylitol production is a promising alternative to mitigate current industrial practice issues and offers an environment-friendly sustainable conversion route. This study demonstrates a bioprocess for xylitol production from corncob using a mesophilic yeast Pichia caribbica. Corncob was hydrolyzed by dilute acid and steam explosion to recover fermentable xylose and used as the feed for xylitol production. Activated carbon treatment (3\% w/v) completely removed the biomass-derived inhibitors furfural and hydroxymethyl furfural from the liquid hydrolysate. The fermenting yeast Pichia caribbica produced 124.1 +/- 0.45 g/L xylitol from the detoxified and concentrated corncob hydrolysate with a high yield of 0.80 +/- 0.02 g/g. The crystallized xylitol with 96.5\% purity demonstrated no harmful effects on the cell line used as a control for the in-vitro toxicity studies. This proof of concept can be applied to help scale up for bio-refinery-based large-scale production of xylitol from corncob biomass.(c) 2022 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Biomass, Corncob, Detoxification, Fermentation, Toxicity analysis, xylitol}, issn = {0960-3085}, doi = {10.1016/j.fbp.2022.02.006}, author = {Dasgupta, Diptarka and Sidana, Arushdeep and Sarkar, Bipul and More, Snehal and Ghosh, Debashish and Bhaskar, Thallada and Ray, Anjan} } @article {47762, title = {Process development for detoxification of corncob hydrolysate using activated charcoal for xylitol production}, journal = {Journal of Environmental Chemical Engineering}, volume = {10}, year = {2022}, month = {FEB}, pages = {107097}, type = {Article}, abstract = {The work describes process development for detoxification of corncob hydrolysate using activated carbon for microbial xylitol production. Activated carbon was used as an adsorbent to completely remove the major fermentation inhibitors obtained during dilute acid and steam explosion of biomass. A xylitol yield of 0.78 g/g was achieved from the detoxified hydrolysate in a 5 L fermenter by Pichia caribbica. The spent carbon was effectively regenerated and used for three consecutive cycles of operation. The successive regeneration and reuse of carbon could reduce the operational cost by similar to 38\% and be used as a reference dataset for process scale-up and cost-effective xylitol production.}, keywords = {Activated charcoal, Detoxification, Fermentation, Regeneration, xylitol}, issn = {2213-2929}, doi = {10.1016/j.jece.2021.107097}, author = {Ahuja, Vishal and Kshirsagar, Siddheshwar and Ghosh, Prasenjit and Sarkar, Bipul and Sutar, Ajit and More, Snehal and Dasgupta, Diptarka} } @article {48006, title = {Rapid synthesis of the epi-biotin sulfone via tandem S,N-carbonyl migration/aza-michael/spirocyclization and haller-bauer reaction}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {MAY }, pages = {17215-17222}, type = {Article}, abstract = {

A synthesis of 2-epi-biotin sulfone was accomplished from commercially available L-cysteine. The synthesis features an unprecedented tandem S,N-carbonyl migration/aza-Michael/spirocyclization reaction from an L-cysteine-derived enone with aq. ammonia, in which three new sigma bonds and two rings are formed. In addition, the synthesis includes a highly diastereoselective late-stage Haller-Bauer reaction of sulfone for direct introduction of the carbon side chain.

}, issn = {2470-1343}, doi = {10.1021/acsomega.2c01030}, author = {Chavan, Subhash P. and Kalbhor, Dinesh B. and Gonnade, Rajesh G.} } @article {48203, title = {Reactive extraction of gluconic acid using trioctylamine in different diluents}, journal = {Chemical Engineering \& Technology}, volume = {45}, year = {2022}, month = {MAR}, pages = {417-424}, type = {Article}, abstract = {

Reactive extraction of gluconic acid (GA) from aqueous solutions was investigated using trioctylamine (TOA) as extractant in the presence of benzyl alcohol (BA) and 1-decanol (DE) as diluents. Physical extraction of GA with pure diluents in the absence of TOA was found to be poor. Reactive extraction with an amine-diluent mixture enhanced the separation process. Higher extraction efficiencies and distribution coefficients were achieved in the presence of BA as compared to DE. Further optimization studies were carried out to determine the synergistic effect of amine/diluent ratio. Loading ratios higher than 0.5 suggested 3:1 complex formation of GA with the amine. A reactive extraction mechanism of GA in TOA was proposed, and the equilibrium complexation constant was determined.

}, keywords = {1-Decanol, Benzyl alcohol, Gluconic acid, reactive extraction, Trioctylamine}, issn = {0930-7516}, doi = {10.1002/ceat.202100373}, author = {Kakku, Sivasankar and Gaikwad, Shripal M. and Gaikwad, Shashank and Taralkar, Suyogkumar V. and Billa, Sarath Babu and Chakinala, Anand Gupta and Chakinala, Nandana} } @article {48058, title = {Regioselective synthesis of 1,4,5-trisubstituted 1,2,3-triazole derivatives from alpha,beta-unsaturated carbonyls}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {JUL}, pages = {e202200317}, type = {Article}, abstract = {

The copper-catalyzed oxidative azide-olefin cycloaddition (OAOC) reaction of differently substituted alpha,beta-unsaturated carbonyls with azides provided an efficient method for preparing biologically active 1,4,5-trisubstituted 1,2,3-triazoles. In this study, the cycloaddition reaction was found to be a simple and powerful method for constructing diverse mono- and bis-(1,4,5-trisubstituted 1,2,3-triazole) functionalized heterocyclic compounds in moderate to high yields with great regioselectivity. The XRD-analysis data of one of the bis-triazole derivatives supported the regioselectivity as well as the conformity of the method in the construction of the triazole nucleus. The preliminary antifungal profile against C. albicans was observed with cinnamaldehyde-based triazole derivatives demonstrating promising results.

}, keywords = {alpha, antifungal, beta-Unsaturated carbonyls, Cycloaddition, Dibenzalacetone, Triazole}, issn = {1434-193X}, doi = {10.1002/ejoc.202200317}, author = {Verma, Naimish K. and Bera, Smritilekha and Gonnade, Rajesh and Mondal, Dhananjoy} } @article {48037, title = {Remarkable effect of Fe and Se composition on magnetic properties-comparative study of the Fe-Se system at the nanoscale}, journal = {Journal of Physical Chemistry C}, volume = {126}, year = {2022}, month = {MAR}, pages = {4655-4663}, type = {Article}, abstract = {

Herein, for the first time, the correlation between the phase structure and the magnetic properties of the Fe-Se system has been presented for FexSey compounds-where x/y ranges from 1:2 to 1:1. These phases-orthorhombic (FeSe2), monoclinic (Fe3Se4), hexagonal (Fe7Se8), and tetragonal (beta-FeSe)-were synthesized using a one-pot thermal decomposition route at the nanoscale. The magnetic properties vary enormously with change in the Fe/Se ratio due to the change in the Fe2+/Fe3+ ratio, crystal field environment around the Fe ions, magnetocrystalline anisotropy, Fe vacancies, and so forth. Among the four Fe-Se phases studied, two of them, Fe3Se4 and Fe7Se8, are ferrimagnetic below similar to 300 K and show semihard magnetic properties. The other two phases FeSe2 and beta-FeSe exhibiting weaker magnetism are less known for their magnetic properties. All these phases are prone to surface oxidation despite surface passivation, and its effect on the magnetic moment will be pronounced for the phases with weak magnetization such as FeSe2 and beta-FeSe.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.1c10286}, author = {Ghalawat, Monika and Poddar, Pankaj} } @article {48075, title = {Revisiting classical pummerer cyclization reaction: a key strategy for the synthesis of (+/-)-quinagolide}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {JUL}, pages = {e202201600}, type = {Article}, abstract = {

A formal synthesis of (+/-)-quinagolide using beta-alanine as a starting material has been achieved. Late stage intramolecular classical Pummerer reaction has been used as a key synthetic tool to construct octahydrobenzo[g]quinoline skeleton of quinagolide. Conjugative reduction of olefin, regioselective C-alkylation over O-alkylation of beta-ketoester followed by retro-Dieckmann/ Dieckmann reaction sequence has been used as a key reaction sequence to achieve prerequisite sulfoxide for the Pummerer reaction. While revisiting the classical Pummerer reaction, the one-pot sequential thionium ion induced cyclocarbamation followed by N-carbamate deprotection and Friedel-Crafts type Pummerer cyclization was observed as an important finding of the present work.

}, keywords = {Alkylation, Cyclocarbamation, Hyperprolactinemia, rearrangement, Thionium ion}, issn = {2365-6549}, doi = {10.1002/slct.202201600}, author = {Chavan, Subhash P. and Kawale, Sanket A. and Tripathi, Anupam and Kadam, Appasaheb L. and Gonnade, Rajesh G.} } @article {48102, title = {Room temperature chemoselective hydrogenation of C=C, C=O and C=N bonds by using a well-defined mixed donor Mn(I) pincer catalyst}, journal = {Chemical Science}, volume = {13}, year = {2022}, month = {NOV }, pages = {13764-13773}, type = {Article}, abstract = {

Chemoselective hydrogenation of C=C, C=O and C=N bonds in alpha,beta-unsaturated ketones, aldehydes and imines is accomplished at room temperature (27 degrees C) using a well-defined Mn(I) catalyst and 5.0 bar H-2. Amongst the three mixed-donor Mn(I) complexes developed, kappa(3)-((PNNPyz)-P-R2-N-3)Mn(CO)(2)Br (R = Ph, Pr-i, Bu-t); the Bu-t -substituted complex ((PNNPyz)-P-tBu2-N-3)Mn(CO)(2)Br shows exceptional chemoselective catalytic reduction of unsaturated bonds. This hydrogenation protocol tolerates a range of highly susceptible functionalities, such as halides (-F, -Cl, -Br, and -I), alkoxy and hydroxy, including hydrogen-sensitive moieties like acetyl, nitrile, nitro, epoxide, and unconjugated alkenyl and alkynyl groups. Additionally, the disclosed method applies to indole, pyrrole, furan, thiophene, and pyridine-containing unsaturated ketones leading to the corresponding saturated ketones. The C=C bond is chemoselectively hydrogenated in alpha,beta-unsaturated ketones, while the aldehyde{\textquoteright}s C=O bond and imine{\textquoteright}s C=N bond are preferentially reduced over the C=C bond. A detailed mechanistic study highlighted the non-innocent behavior of the ligand in the ((PNNPyz)-P-tBu2-N-3) Mn(I) complex and indicated a metal-ligand cooperative catalytic pathway. The molecular hydrogen (H-2) acts as a hydride source, whereas MeOH provides a proton for hydrogenation. DFT energy calculations supported the facile progress of most catalytic steps, involving a crucial turnover-limiting H-2 activation.

}, issn = {2041-6520}, doi = {10.1039/d2sc05274a}, author = {Shabade, Anand B. and Sharma, Dipesh M. and Bajpai, Priyam and Gonnade, Rajesh G. and Vanka, Kumar and Punji, Benudhar} } @article {48118, title = {Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts}, journal = {Catalysis Science \& Technology}, volume = {12}, year = {2022}, month = {MAR }, pages = {1843-1849}, type = {Article}, abstract = {

Hemilabile and phosphine-free quinolinyl-based NNN-type pincer and non-pincer cobalt complexes were developed for the room temperature catalytic transfer semi-hydrogenation of alkynes to Z-alkenes. Treatment of the quinolinyl-amine ligand, [C9H6N(NH)CH2CH2NEt2] ((NNN2NEt2)-N-Q-N-CH)-H with CoX2 afforded the pincer complexes kappa(3)-((NNN2NEt2)-N-Q-N-CH)CoX2 (X = Cl, Br), whereas, the quinolinyl-amide ligand, [C9H6N(NH)C(O)CH2NEt2] ((NNNNEt2)-N-Q-N-C(O))-H gave chelate anionic complexes kappa(2)-((NN)-N-Q)CoX2((NHNEt2)-H-C(O)) (X = Cl, Br). The well-defined anionic non-pincer cobalt complexes efficiently catalyzed the semi-hydrogenation of diverse alkynes to deliver highly chemoselective and stereodivergent Z-alkenes at room temperature. This hydrogenation exhibited broad substrate scope with the tolerance of sensitive functional groups, such as -Cl, -Br, -I, -OH, -NH2, -COOMe, and pyridinyl, employing a stable and user-friendly ammonia borane hydrogen source.

}, issn = {2044-4753}, doi = {10.1039/d2cy00027j}, author = {Sharma, Dipesh M. and Gouda, Chandrakant and Gonnade, Rajesh G. and Punji, Benudhar} } @article {48163, title = {Ru, Pd doped WO3 nanomaterials: a synergistic effect of noble metals to enhance the acetone response properties}, journal = {Ceramics International}, volume = {48}, year = {2022}, month = {JUN}, pages = {17923-17933}, type = {Article}, abstract = {

Noble metals (NMs) have an enormous impact on the intrinsic properties of the metal oxides. We report the synergistic effect of Ruthenium (Ru) and Palladium (Pd) noble metals on the enhancement of gas sensing properties of pure tungsten oxide (WO3). The gas sensing material is synthesized by simple and straight forward precipitation route, and its physico-chemical analyses are determined using XRD, FESEM, TEM/HRTEM, FFT, UV-Vis, XPS, EDAX, and BET measurements. Use of the developed material as a gas sensor is evaluated using several target gases (oxidizing as well as reducing), with acetone showing the best selectivity. The noble metal doping and hence catalytic action improved the gas response qualities. The synergistic effect of Ru and Pd on WO3 gas response properties are identified, where the effect is 99.80\% sensitivity, and lower response/recovery time (10 s and 2 min) at 300 degrees C operating temperature. Nonetheless, the sensors displayed better gas sensing properties even at lower operating temperatures ranging from 200 to 275 degrees C. In addition, the synergistic effect has displayed the dramatic enhancement in the sensitivity to 76.44\% at barely 10 ppm acetone concentration. This particular result will undoubtedly be helpful for diagnostic purpose of diabetic patients, and a strong candidate for prospective gas sensing applications, particularly acetone.

}, keywords = {Acetone vapours, Precipitation route, Ru -Pd doping, synergistic effect, WO3}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2022.03.065}, author = {Kodam, Pavan M. and Ghadage, Pandurang A. and Nadargi, Digambar Y. and Shinde, K. P. and Mulla, Imtiaz S. and Park, J. S. and Suryavanshi, Sharad S.} } @article {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 {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 {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 {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 {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 {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 {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 {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 {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 {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 {48015, title = {Tailoring diradicaloid properties of expanded isophlorinoids with systematic core-modification}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {AUG}, pages = {8946-8949}, type = {Article}, abstract = {

Herein, we describe the synthesis, structural diversity and diradicaloid characteristics of 38 pi core-modified aromatic expanded isophlorins with eight heterocyclic rings. The diradicaloid character of expanded isophlorinoid macrocycles was engineered by systematic structural modification. Depending on the nature of the link between the heteroatoms, they adopt planar and non-planar conformations. This large structural variation with a significant difference in the extent of aromaticity is correlated with the magnitude of their respective diradical character.

}, issn = {1359-7345}, doi = {10.1039/d2cc02970g}, author = {Ambhore, Madan D. and Shukla, Pragati and Gonnade, Rajesh G. and Anand, Venkataramanarao G.} } @article {48403, title = {Temporal analysis of melanogenesis identifies fatty acid metabolism as key skin pigment regulator}, journal = {Plos Biology}, volume = {20}, year = {2022}, month = {MAY}, pages = {e3001634}, type = {Article}, abstract = {

Therapeutic methods to modulate skin pigmentation has important implications for skin cancer prevention and for treating cutaneous hyperpigmentary conditions. Towards defining new potential targets, we followed temporal dynamics of melanogenesis using a cell-autonomous pigmentation model. Our study elucidates 3 dominant phases of synchronized metabolic and transcriptional reprogramming. The melanogenic trigger is associated with high MITF levels along with rapid uptake of glucose. The transition to pigmented state is accompanied by increased glucose channelisation to anabolic pathways that support melanosome biogenesis. SREBF1-mediated up-regulation of fatty acid synthesis results in a transient accumulation of lipid droplets and enhancement of fatty acids oxidation through mitochondrial respiration. While this heightened bioenergetic activity is important to sustain melanogenesis, it impairs mitochondria lately, shifting the metabolism towards glycolysis. This recovery phase is accompanied by activation of the NRF2 detoxication pathway. Finally, we show that inhibitors of lipid metabolism can resolve hyperpigmentary conditions in a guinea pig UV-tanning model. Our study reveals rewiring of the metabolic circuit during melanogenesis, and fatty acid metabolism as a potential therapeutic target in a variety of cutaneous diseases manifesting hyperpigmentary phenotype.

}, issn = {1544-9173}, doi = {10.1371/journal.pbio.3001634}, author = {Sultan, Farina and Basu, Reelina and Murthy, Divya and Kochar, Manisha and Attri, Kuldeep S. and Aggarwal, Ayush and Kumari, Pooja and Dnyane, Pooja and Tanwar, Jyoti and Motiani, Rajender K. and Singh, Archana and Gadgil, Chetan and Bhavesh, Neel Sarovar and Singh, Pankaj K. and Natarajan, Vivek T. and Gokhale, Rajesh S.} } @article {48113, title = {Thallium(III) p-tosylate (TTS) mediated oxidative rearrangement of 2-naphthyl and 2-heteroarylchromanones}, journal = {Indian Journal of Chemistry}, volume = {61}, year = {2022}, month = {SEP}, pages = {923-927}, type = {Article}, abstract = {

A practical and effective approach towards the synthesis of 3-hetroaryl-4H-chromen-4-ones by the oxidative rearrangement of the respective 2-hetroaryl chroman-4-ones using thallium(III) p-tosylate is described. The oxidative rearrangement of alpha and beta-naphthyl and thiophene behave like aryl groups. However, pyridyl groups give only the dehydrogenated product.

}, keywords = {2-(3-pyridyl)chromones, 2-(4-pyridyl)chromones, 2-and 3-(2-theinyl)chromones, 2-and 3-(3-theinyl)chromones, 2-and 3-(?-naphthyl) chromones, Dehydrogenation, Oxidative rearrangements, thallium(III) acetate, thallium(III) p-tosylate}, issn = {0019-5103}, doi = {10.56042/ijc.v61i9.66341}, author = {Kurapati, Chidvilas and Muthukrishnan, M. and Singh, V. Om and Gundla, Rambabu} } @article {47675, title = {Thallium(III) p-tosylate-mediated oxidative [1,2] rearrangement of 2-naphthyl and 2-heteroarylchromanones}, journal = {Journal of Heterocyclic Chemistry}, volume = {59}, year = {2022}, month = {JAN}, pages = {172-177}, type = {Article}, abstract = {A practical and effective approach towards the synthesis of 3-heteroaryl-4H-chromen-4-ones by the oxidative [1,2] rearrangement of the respective 2-heteroaryl chroman-4-ones using thallium(III) p-tosylate is presented. The oxidative rearrangement of alpha- and beta-naphthyl and thiophene substituents behaves like aryl groups; However, pyridyl substituents gave only dehydrogenated products.}, issn = {0022-152X}, doi = {10.1002/jhet.4377}, author = {Kurapati, Chidvilas and Muthukrishnan, Murugan and Singh, V. Om and Gundla, Rambabu} } @article {48390, title = {Toughening poly(l-lactide) blends: effectiveness of sequence-controlled six-arm star-branched block copolymers of poly(L-lactide) and poly(epsilon-caprolactone)}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {MAR}, pages = {9118-9129}, type = {Article}, abstract = {

Well-defined six-arm star-branched bio-degradable block copolymers of L-lactide and epsilon-caprolactone were prepared using controlled ring-opening polymerization and a sequential monomer addition method using dipentaerythritol as the initiator core and organocatalysts at low temperatures in solution. Sequence of enchainment was changed by reversing the order of monomer addition giving, either, a crystalline PLA block or an amorphous PCL block as the outer segment. Well-defined six-arm poly(epsilon-caprolactone-b-L-lactide, 6s-PCL-b-PLA) block copolymers were obtained with a range of segment molecular weights. However, in the case of six-arm poly(L-lactide-b-epsilon-caprolactone, 6s-PLA-b-PCL), disruption of the block structure was observed on account of competing transesterification reactions accompanying a chain-growth reaction. Such sequence-controlled block copolymers showed interesting phase morphologies, as evidenced by differential scanning calorimetry (DSC) studies. 6s-PCL-b-PLA showed two glass-transition temperatures and two melting temperatures characteristic of the amorphous and crystalline blocks. 6s-PCL-b-PLA and 6s-PLA-b-PCL with different segment chain lengths were solution blended (10 wt \%) with a commercially sourced PLA. All the blends were highly transparent. The structure and properties of the blend were examined by DSC, measurement of mechanical properties, and scanning electron microscopy. The results show that a phase-separated 6s-PCL-b-PLA copolymer results in two- to three-fold improvement in tensile toughness without the loss of modulus. A possible hypothesis for the mechanism of tensile toughness in the blend has been proposed.

}, issn = {2470-1343}, doi = {10.1021/acsomega.1c04486}, author = {Deokar, Megha D. and Garnaik, Baijayantimala and Sivaram, Swaminathan} } @article {48230, title = {Transcriptional and translational perturbation in abiotic stress induced physiological activities and metabolic pathway networks in spongy tissue disorder of mango fruit}, journal = {Postharvest Biology and Technology}, volume = {188}, year = {2022}, month = {JUN}, pages = {111880}, type = {Article}, abstract = {

Spongy tissue formation is economically the most detrimental but agriculturally less focused physiological disorder in mango. {\textquoteleft}Alphonso{\textquoteright} cultivar is highly prone to oxidative stress induced spongy tissue disorder impacting biochemical and metabolic profile, thereby affecting pulp quality and nutritional value of the fruit. In the present study, comparative analysis of spongy and healthy mesocarp tissues of {\textquoteleft}Alphonso{\textquoteright} mango by transcriptomics using Illumina sequencing and proteomics using LC-MS approaches, respectively identified and quantified many genes and proteins in the metabolic pathways responsible for the spongy tissue development. The table green and the mid ripe stages of {\textquoteleft}Alphonso{\textquoteright} fruit ripening were evaluated by the transcriptomic study and outcomes were validated using proteomic investigations for all the four ripening stages. Colossal amount of data including 30,582 transcripts, 10,800 gene ontologies and 387 putative proteins was generated from this analysis. Current multi-omics exploration revealed the development of abiotic stress (mainly oxidative stress) induced perturbations in various metabolic pathways and their interconnections, leading to the spongy tissue formation in mango. This further unfolded the altered cell wall degradation, ethylene and flavonoid biosynthesis, fruit ripening and flavor formation, thus hampering the fruit specific characteristics in mango with spongy tissue disorder.

}, keywords = {Oxidative stress, Proteome, spongy tissue disorder, Transcriptome, {\textquoteleft} Alphonso {\textquoteleft} mango}, issn = {0925-5214}, doi = {10.1016/j.postharvbio.2022.111880}, author = {Oak, Pranjali and Jha, Vineet and Deshpande, Ashish and Tanpure, Rahul and Dawkar, Vishal and Mundhe, Swapnil and Ghuge, Sandeep and Prabhudesai, Shrikant and Krishanpal, Anamika and Jere, Abhay and Giri, Ashok and Gupta, Vidya} } @article {47896, title = {Transition metal- and oxidant-free regioselective synthesis of 3,4,5-trisubstituted pyrazoles by means of [3+2] cycloaddition reactions}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {MAR}, pages = {e202200605}, type = {Article}, abstract = {

A highly efficient regioselective synthesis of 3,4,5-trisubstituted pyrazoles via transition metal- and oxidant-free, three component [3+2] cycloaddition with thiazolidinedione chalcones, benzaldehydes and N-tosylhydrazine is described. The reaction proceeds through C-C and C-N bond formations under mild reaction conditions to produce structurally diverse polysubstituted pyrazoles in moderate to good yields.

}, keywords = {3, 4, 5-trisubstituted pyrazoles, Cycloaddition, Multicomponent reaction, Oxidant free, Regioselectivity, Transition metal free}, issn = {2365-6549}, doi = {10.1002/slct.202200605}, author = {Allaka, Bhargava Sai and Basavoju, Srinivas and Gamidi, Rama Krishna} } @article {48153, title = {Trap inlaid cationic hybrid composite material for efficient segregation of toxic chemicals from water (vol 61, e202203385, 2022)}, journal = {Angewandte Chemie-International Edition}, volume = {61}, year = {2022}, month = {OCT}, pages = {e202212921}, type = {Correction}, issn = {1433-7851}, doi = {10.1002/anie.202212921}, author = {Fajal, Sahel and Mandal, Writakshi and Mollick, Samraj and More, Yogeshwer D. and Torris, Arun and Saurabh, Satyam and Shirolkar, Mandar M. and Ghosh, Sujit K.} } @article {48144, title = {Trap inlaid cationic hybrid composite material for efficient segregation of toxic chemicals from water}, journal = {Angewandte Chemie-International Edition}, volume = {61}, year = {2022}, month = {AUG }, pages = {e202203385}, type = {Article}, abstract = {

Metal-based oxoanions are potentially toxic pollutants that can cause serious water pollution. Therefore, the segregation of such species has recently received significant research attention. Even though several adsorbents have been employed for effective management of chemicals, their limited microporous nature along with non-monolithic applicability has thwarted their large-scale real-time application. Herein, we developed a unique anion exchangeable hybrid composite aerogel material (IPcomp-6), integrating a stable cationic metal-organic polyhedron with a hierarchically porous metal-organic gel. The composite scavenger demonstrated a highly selective and very fast segregation efficiency for various hazardous oxoanions such as, HAsO42-, SeO42-, ReO4-, CrO42-, MnO4-, in water, in the presence of 100-fold excess of other coexisting anions. The material was able to selectively eliminate trace HAsO42- even at low concentration to well below the As-v limit in drinking water defined by WHO.

}, keywords = {Aerogel, Chemical Separation, Hybrid composite, Metal-Organic Gel, Metal-Organic Polyhedra}, issn = {1433-7851}, doi = {10.1002/anie.202203385}, author = {Fajal, Sahel and Mandal, Writakshi and Mollick, Samraj and More, Yogeshwer D. and Torris, Arun and Saurabh, Satyam and Shirolkar, Mandar M. and Ghosh, Sujit K.} } @article {48051, title = {Tridentate NacNac stabilized tin and nickel complexes: access to a monomeric nickel hydride and its catalytic application}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {OCT}, pages = {17370-17377}, type = {Article}, abstract = {

The transmetalation reaction of picolyl-supported tridentate nacnac germylene monochloride [2,6-iPr2-C6H3NC-(Me)CHC(Me)NH(CH2py)]GeCl (1) (py = pyridine) with SnCl2 results in an analogous stannylene chloride (2). The three -coordinated stannylenium cation [{2,6-iPr2-C6H3NC(Me)CHC-(Me)NH(CH2py)}Sn]+ with SnCl3- as a counteranion (3) has been generated through the abstraction of chloride ligand from 2 using an additional equivalent of SnCl2. Instead of forming a donor-acceptor complex, 2 undergoes a facile redox trans-metalation reaction with Ni(COD)2 (COD = cyclooctadiene) and CuCl to afford analogous nickel and copper complexes [2,6-iPr2-C6H3NC(Me)CHC(Me)NH(CH2py)]MCl [M = Ni (4) and Cu (5)]. The reactions of 4 with potassium tri-sec-butylborohydride (commonly known as K-selectride) and AgSbF6 provide access to monomeric Ni(II) hydride, [2,6-iPr2-C6H3NC(Me)CHC(Me)NH(CH2py)]NiH (6) and a Ni(II) cation, [{2,6-iPr2- C6H3NC(Me)CHC(Me)NH(CH2py)}Ni][SbF6] (7), respectively. 6 was found to be an effective catalyst for the hydroboration of amides.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c03227}, author = {Pahar, Sanjukta and Sharma, Vishal and Mahata, Biplab and George, Christy P. and Sharma, Himanshu and Vanka, Kumar and Sen, Sakya S.} } @article {48181, title = {Tuning the hybridization and charge polarization in metal nanoparticles dispersed over Schiff base functionalized SBA-15 enhances CO2 capture and conversion to formic acid}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {SEP}, pages = {18354-18362}, type = {Article}, abstract = {

Different Schiff base functionalized SBA-15 materials were synthesized through condensation reactions between 3-aminopropyltriethoxysilane (APTES) and different aldehydes (glutaraldehyde and butyraldehyde) over a mesoporous silica, SBA-15 (APTES-GLU/SBA-15 and APTES-BUT/SBA-15). Both static and dynamic experiments have been used for testing the CO2 capture efficiency of these materials. The hybridization of the N atom in APTES has been tuned from sp(3) to sp(2) upon condensation facilitating optimum CO2 capture in the direct synthesis of APTES-GLU/SBA-15. The undesirable oxides of nitrogen have been removed during the synthesis process to improve the CO2 capture efficiency. These materials were employed as supports for Pd-Ag and Pd-Ni bimetallic systems for the selective conversion of the captured CO2 to formic acid (FA) in 0.5 M KHCO3 solution. The Pd-Ni catalyst system exhibited enhanced CO2 to FA conversion activity compared to other heterogeneous systems, which is similar to 4 times better than that of the Pd-Ag system in this study. The X-ray absorption studies over the catalyst material confirmed that the relatively electron-deficient Ni in Pd-Ni compared to Ag in Pd-Ag favoured higher charge polarization between the metals in the Pd-Ni system enhancing the CO2 to FA conversion. The experimental observations are well supported by the DFT calculations.

}, issn = {2050-7488}, doi = {10.1039/d2ta03690h}, author = {Cherevotan, Arjun and Ray, Bitan and Yadav, Anish and Bagchi, Debabrata and Singh, Ashutosh Kumar and Riyaz, Mohd and Churipard, Sathyapal R. and Naral, Vinay and Kaur, Komalpreet and Gautam, Ujjal K. and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {47829, title = {Ultrathin twisty PdNi alloy nanowires as highly active ORR electrocatalysts exhibiting morphology-induced durability over 200 K cycles}, journal = {Nano Letters}, volume = {22}, year = {2022}, month = {JAN}, pages = {246-254}, type = {Article}, abstract = {Even though the anion exchange membrane fuel cells have many advantages, the stability of their electrocatalysts for oxygen reduction reaction (ORR) has remained remarkably poor. We report here on the ultrathin twisty PdNi-alloy nanowires (NWs) exhibiting a very low reaction overpotential with an E1/2 \~{} 0.95 V versus RHE in alkaline media maintained over 200 K cycles, the highest ever recorded for an electrocatalyst. The mass activity of the used NWs is >10 times higher than fresh commercial Pt/C. Therein, Ni improves the Pd d-band center for a more efficient ORR, and its leaching continuously regenerates the surface active sites. The twisty nanowire morphology imparts multiple anchor points on the electrode surface to arrest their detachment or coalescence and extra stability from self-entanglement. The significance of the NW morphology was further confirmed from the high-temperature durability studies. The study demonstrates that tailoring the number of contact points to the electrode-surface may help realize commercial-grade stability in the highly active electrocatalysts.}, doi = {10.1021/acs.nanolett.1c03704}, author = {Sahoo, Lipipuspa and Garg, Reeya and Kaur, Komalpreet and Vinod, C. P. and Gautam, Ujjal K.} } @article {48081, title = {Understanding unfolding and refolding of the antibody fragment (Fab) III: mapping covalent and non-covalent interactions during in-vitro refolding of light chain, heavy chain, and Fab.}, journal = {Biochemical Engineering Journal}, volume = {187}, year = {2022}, month = {NOV}, pages = {108644}, type = {Article}, abstract = {

In-vitro refolding of the antibody fragments from inclusion bodies is a critical manufacturing bottleneck. We have previously reported that Fab refolding involves the formation of an intermediate. To further decode the refolding pathway, we have mapped the covalent and non-covalent interactions during in-vitro refolding of individual light chain (LC), heavy chain (HC), and intact Fab. Intrinsic fluorescence analysis was performed to map the non -covalent interactions, whereas time-dependent disulfide mapping was performed using LC-MS/MS analysis under non-reducing and reducing atmospheres. Refolding of purified LC, HC, and intact Fab (Biosimilar rHu Ranibi-zumab) was investigated in the study. Under the reducing condition, LC, HC, and intact Fab required around 96, 30, and 70 h, respectively, whereas, under non-reducing conditions, they required only 48, 10, and 48 h, respectively, to acquire the native conformation. The disulfide bond mapping revealed that the bond between LC_Cys23/Cys88 is more unstable. The peptides mapped with the inter-chain disulfide bond were identified at 48 h during the refolding and can be considered as the rate-limiting step in (Fab) refolding. We have also studied a new refolding strategy involving assembly of separately refolded LC and HC into Fab molecule. In this case the Fab refolding yield was low (18.0 +/- 1.36\%), indicating inefficient assembly of refolded LC and HC chain into native Fab molecule.

}, keywords = {Antibody fragment, Disulfide bond formation, In-vitro refolding, Light and heavy chain, rHu Ranibizumab}, issn = {1369-703X}, doi = {10.1016/j.bej.2022.108644}, author = {Gani, Kayanat and Chirmade, Tejas and Ughade, Santosh and Thulasiram, Hirekodathakallu and Bhambure, Rahul} } @article {48011, title = {Understanding unfolding and refolding of the antibody fragments (Fab). II. Mapping intra and inter-chain disulfide bonds using mass spectrometry}, journal = {Biochemical Engineering Journal}, volume = {182}, year = {2022}, month = {MAY}, pages = {108439}, type = {Article}, abstract = {

Disulfide bond formation in recombinant protein therapeutics has a significant impact on the integrity and biological activity of the drug product. Formation of the disulfide linkage is the key rate-limiting step in in vitro refolding and overall manufacturing of the antibody fragments (Fab). This investigation is focused on mapping the intra, and inter-chain disulfide bonds in the in vitro refolded antibody fragments by using mass spectrometry (MS). Biosimilar rHu Ranibizumab and rHu Certolizumab expressed using E. coli were selected for the study. Both Fabs contain ten cysteine residues leading to two intra-chain disulfide bonds on each subunit and a single interchain disulfide linkage. rHu Certolizumab has an additional cysteine which is unpaired and used for pegylation. The amino acid sequence in the disulfide-bonded peptides was confirmed by Collision-induced dissociation (CID), Electron transfer dissociation (ETD) and High-energy collision dissociation (HCD). The light chain (LC) intra-chain disulfide is formed between Cys23-Cys88 and Cys134-Cys194 in both the Fabs. The heavy chain (HC) intra-chain disulfides are formed between Cys22-Cys96 and Cys150-Cys206 in rHu Ranibizumab. LC and HC subunits of rHu Ranibizumab are covalently linked by disulfide linkage formed between Cys214 of LC and Cys226 of HC. This study suggests that information from multiple MS platforms and orthogonal methods for peptide fragmentation can be effectively used to map disulfide linkages in biosimilar therapeutic proteins.

}, keywords = {Antibody fragments (Fab), Collision-induced dissociation, Electron transfer dissociation, High-energy collision dissociation, in vitro refolding, Ranibizumab}, issn = {1369-703X}, doi = {10.1016/j.bej.2022.108439}, author = {Nainwal, Neeraj and Chirmade, Tejas and Gani, Kayanat and Rana, Sunil and Bhambure, Rahul} } @article {47732, title = {Unraveling the reaction mechanism of selective C9 monomeric phenols formation from lignin using Pd-Al2O3-activated biochar catalyst}, journal = {Bioresource Technology}, volume = {344}, year = {2022}, month = {JAN}, pages = {126204}, type = {Article}, abstract = {The conversion of biomass-derived lignin to valuable monomeric phenols at high selectivity is of paramount importance for sustainable biorefineries. In this study, a novel Pd-Al2O3 supported on activated biochar catalyst is developed for lignin hydrogenolysis. The catalyst characterization revealed that the (1 1 1) planes of both of Pd-0 and Al2O3 were exposed to the surface. The maximum lignin conversion of 70.4\% along with high liquid yield (similar to 57 wt\%) was obtained at 240 degrees C, 3 h and 3 MPa H-2 pressure. The total monomeric phenols yield in the liquid was 51.6 wt\%, out of which C9 monomeric guaiacols constituted similar to 30.0 wt\% with 38.0\% selectivity to 4-propyl guaiacol. Using the reaction intermediate, coniferyl alcohol, chemoselective hydrogenation of C-alpha=C-beta is proved to occur over the Pd site, while dehydroxylation of C-gamma-OH is shown to occur over the alumina site. An impressive carbon atom economy of 60\% was achieved for the production of monomeric phenols.}, keywords = {Hydrogenolysis, lignin, Mechanism, Pd-Al/activated biochar, Propanol guaiacol, Propyl guaiacol}, issn = {0960-8524}, doi = {10.1016/j.biortech.2021.126204}, author = {Gurrala, L. and Kumar, M. M. and Yerrayya, Attada and Kandasamy, Prabu and Castano, Pedro and Raja, T. and Pilloni, Giovanni and Paek, C. and Vinu, R.} } @article {48196, title = {Well-defined hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst for superior water oxidation}, journal = {Sustainable Energy \& Fuels}, volume = {6}, year = {2022}, month = {DEC}, pages = {5491-5502}, type = {Article}, abstract = {

The development of a robust and efficient electrocatalyst for water oxidation is challenging due to the large overpotential requirement to transfer four electrons. Herein, a novel spinel-type hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst was synthesized through the facile solvothermal process and evaluated for the challenging and demanding oxygen evolution reaction (OER) in the water electrolysis process. The teddy bear sunflower-like NiCo2O4 supported on nickel foam (NF) delivers a current density of 50 mA cm(-2) at a small water oxidation overpotential (eta(50) = 319 mV) which is significantly lower than that of the corresponding spherical NiO/NF (eta(50) = 338 mV), and sea-urchin like Co3O4/NF (eta(50) = 357 mV). A large specific and electroactive surface area, as well as a high TOF value exhibited by the hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst, demonstrates the potential of NiCo2O4 to catalyze the water oxidation reaction efficiently. The impact of the near-Fermi-level d-orbital states in NiCo2O4 electrocatalyst for boosting OER activity was unveiled by the density functional theory calculation. The stable performance even after 16 h and high catalyst utilization of the hierarchical teddy bear sunflower-like NiCo2O4 through the OER indicates that the catalyst is highly suitable for the large-scale water oxidation process.

}, issn = {2398-4902}, doi = {10.1039/d2se01111e}, author = {Bodhankar, Pradnya M. M. and Dhawale, Dattatray S. S. and Giddey, Sarbjit and Kumar, Ravi and Sarawade, Pradip B. B.} } @article {48335, title = {2D layered nanomaterials as fillers in polymer composite electrolytes for lithium batteries}, journal = {Advanced Energy Materials}, volume = {13}, year = {2023}, month = {APR}, type = {Review}, abstract = {

Polymer composite electrolytes (PCEs), i.e., materials combining the disciplines of polymer chemistry, inorganic chemistry, and electrochemistry, have received tremendous attention within academia and industry for lithium-based battery applications. While PCEs often comprise 3D micro- or nanoparticles, this review thoroughly summarizes the prospects of 2D layered inorganic, organic, and hybrid nanomaterials as active (ion conductive) or passive (nonion conductive) fillers in PCEs. The synthetic inorganic nanofillers covered here include graphene oxide, boron nitride, transition metal chalcogenides, phosphorene, and MXenes. Furthermore, the use of naturally occurring 2D layered clay minerals, such as layered double hydroxides and silicates, in PCEs is also thoroughly detailed considering their impact on battery cell performance. Despite the dominance of 2D layered inorganic materials, their organic and hybrid counterparts, such as 2D covalent organic frameworks and 2D metal-organic frameworks are also identified as tuneable nanofillers for use in PCE. Hence, this review gives an overview of the plethora of options available for the selective development of both the 2D layered nanofillers and resulting PCEs, which can revolutionize the field of polymer-based solid-state electrolytes and their implementation in lithium and post-lithium batteries.

}, keywords = {2D materials, clay minerals, covalent organic frameworks, metal-organic frameworks, MXene, polymer composite electrolyte, solid-state batteries}, issn = {1614-6832}, doi = {10.1002/aenm.202203326}, author = {Vijayakumar, Vidyanand and Ghosh, Meena and Asokan, Kiran and Sukumaran, Santhosh Babu and Kurungot, Sreekumar and Mindemark, Jonas and Brandell, Daniel and Winter, Martin and Nair, Jijeesh Ravi} } @article {48317, title = {Accelerated Rauhut-Currier dimerization enabled the synthesis of (+/-)-incarvilleatone and anticancer studies}, journal = {Beilstein Journal of Organic Chemistry}, volume = {19}, year = {2023}, month = {FEB}, pages = {204-211}, type = {Article}, abstract = {

The total synthesis of racemic incarvilleatone has been achieved by utilizing unexplored accelerated Rauhut-Currier (RC) dimeriza-tion. The other key steps of the synthesis are oxa-Michael and aldol reactions in a tandem sequence. Racemic incarvilleatone was separated by chiral HPLC and the configuration of each enantiomer was determined by single-crystal X-ray analysis. In addition, a one-pot synthesis of (+/-)-incarviditone has been achieved from rac-rengyolone by using KHMDS as a base. We have also assessed the anticancer activity of all the synthesized compounds in breast cancer cells nonetheless, they exhibited very limited growth suppression activity.

}, keywords = {dimerization, incarviditone, incarvilleatone, oxa-Michael, Rauhut-Currier}, issn = {1860-5397}, doi = {10.3762/bjoc.19.19}, author = {Kotammagari, Tharun K. and Misra, Sweta and Paul, Sayantan and Kunte, Sunita and Gonnade, Rajesh G. and Santra, Manas K. and Bhattacharya, Asish K.} } @article {48753, title = {Activation of the olefinic C-H bond of NHC and NHO by perimidine-based silicon and germanium compounds}, journal = {Organometallics}, volume = {42}, year = {2023}, month = {JUL}, pages = {1909-1917}, type = {Article}, abstract = {

In this manuscript, several backbonegermylene-functionalized zwitterioniccompounds were prepared conveniently from the corresponding N-heterocycliccarbenes or N-heterocyclic olefins in a single step through backboneC-H activation. Our initial motivation was to generate a silylenefrom C10H6(Me3SiN)(2)SiHCl(2) using ItBu [ItBu= (1,3-ditert-butyl)imidazol-2-ylidene], but instead, the reactionled to deprotonation from the imidazolium backbone of ItBu, forming the imidazolium salt with a silyl backbone at the C4position (3). We presumed that the reaction proceededthrough the generation of an ephemeral silylene. We subsequently preparedthe analogous germylene (4) and reacted it with IDipp[IDipp = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene], ItBu, and IDipp=CH2. Spectroscopic and crystallographicanalysis of these complexes revealed that, in all cases, there wasdeprotonation from the backbone and formation of zwitterionic products(5-7). When the hydrogen in the NHCbackbone was replaced with methyl groups such as IDipp(Me) (1,3-bis(2,6-diisopropylphenyl)-4,5-dimethylimidazol-2-ylidene),simple adduct formation occurred, exemplified by the isolation ofIDipp(Me)\& BULL;Ge(NSiMe3)(2)C10H6 (8).

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.3c00167}, author = {Gour, Kritika and Pramanik, Debjit and Dash, Soumya Ranjan and Tothadi, Srinu and Vanka, Kumar and Sen, Sakya S.} } @article {48439, title = {Amino acid abundance and composition in cell culture medium affects trace metal tolerance and cholesterol synthesis}, journal = {Biotechnology Progress}, volume = {39}, year = {2023}, month = {JAN}, type = {Article}, abstract = {

Amino acid compositions of cell culture media are empirically designed to enhance cell growth and productivity and vary both across media formulations and over the course of culture due to imbalance in supply and consumption. The interconnected nature of the amino acid transporters and metabolism suggests that changes in amino acid composition can affect cell physiology. In this study, we explore the effect of a step change in amino acid composition from a DMEM: F12-based medium to a formulation varying in relative abundances of all amino acids, evaluated at two amino acid concentrations (lean LAA vs. rich HAA). Cell growth was inhibited in LAA but not HAA. In addition to the expected effects on expression of the cell cycle, amino acid response and mTOR pathway genes in LAA, we observed an unanticipated effect on zinc uptake and efflux genes. This was accompanied by a lower tolerance to zinc supplementation in LAA but not in the other formulations. Histidine was sufficient but not necessary to prevent such zinc toxicity. Additionally, an unanticipated downregulation of genes in the cholesterol synthesis pathway was observed in HAA, accompanied by an increase in cellular cholesterol content, which may depend on the relative abundances of glutamine and other amino acids. This study shows that changes in the amino acid composition without any evident effect on growth may have profound effects on metabolism. Such analyses can help rationalize the designing of medium and feed formulations for bioprocess applications beyond replenishment of consumed components.

}, keywords = {Amino acids, cell culture medium, CHO cells, Cholesterol, zinc}, issn = {8756-7938}, doi = {10.1002/btpr.3298}, author = {Rawat, Jyoti and Bhambri, Aksheev and Pandey, Ujjiti and Banerjee, Sanchita and Pillai, Beena and Gadgil, Mugdha} } @article {48810, title = {Aptamer tethered bio-responsive mesoporous silica nanoparticles for efficient targeted delivery of paclitaxel to treat ovarian cancer cells}, journal = {Journal of Pharmaceutical Sciences}, volume = {112}, year = {2023}, month = {MAY}, pages = {1450-1459}, type = {Article}, abstract = {

Ovarian cancer is the leading cause of cancer deaths in female patients. The current therapeutics in ovarian cancer are limited and inefficient in curing the disease. To tackle this, we have synthesized tetrasulfide deriv-ative of silica doped, biodegradable, glutathione-responsive targeted mesoporous silica nanoparticles modi-fied with heterobifunctional polyethylene glycol as a linker and mucin-1 aptamer for triggered paclitaxel delivery to the ovarian cancer cells. Degradable mesoporous silica nanoparticles were synthesized by a modi-fied sol-gel method with tetraethyl orthosilicate and Bis (triethoxysilylpropyl) tetrasulfide. The degradable mesoporous silica nanoparticles were characterized by dynamic light scattering, Fourier-transform infrared spectroscopy, Scanning electron microscopy and Transmission electron microscopy. The degradable mesopo-rous silica nanoparticles had good paclitaxel encapsulation efficiency and glutathione-responsive paclitaxel release ability. The glutathione utilization assay and visual destruction observed within 10 days in transmis-sion electron microscopy images confirmed the degradation of the mesoporous silica nanoparticles in the tumor cell environment. The targeted degradable mesoporous silica nanoparticles were efficiently taken up by ovarian cancer cell lines OVACAR-3 and PA-1. The cytotoxicity of bare mesoporous silica nanoparticles evaluated on NIH-3T3 cell line showed good biocompatibility (\>90\% cell viability). Significant toxicity on OVACAR-3 (IC50 25.66 nM) and PA-1 (IC50 42.93 nM) cell lines was observed when treated with paclitaxel-loaded targeted degradable mesoporous silica nanoparticles. Results of this study demonstrated that mucin-1 targeted, glutathione-responsive mesoporous silica nanoparticles loaded with paclitaxel had a significant antitumor effect on ovarian cancer cells. All these findings demonstrated that developed nano-formulation could be suitable for ovarian cancer treatment. \& COPY; 2023 American Pharmacists Association. Published by Elsevier Inc. All rights reserved.

}, keywords = {Degradable, GSH, Mesoporous silica nanoparticles, Mucin-1, Ovarian cancer, Paclitaxel, Stimuli-responsive}, issn = {0022-3549}, doi = {10.1016/j.xphs.2023.01.011}, author = {Salve, Rajesh and Kumar, Pramod and Chaudhari, Bhushan P. and Gajbhiye, Virendra} } @article {48704, title = {Baby step in assembling and integrating the components of an artificial photosynthesis device with forced heterojunctions towards improved efficiency}, journal = {Journal of Materials Chemistry A}, volume = {11}, year = {2023}, month = {JUL }, pages = {15168-15182}, type = {Article}, abstract = {

How to achieve unassisted, economical, scalable, and sustainable artificial photosynthesis for liquid fuels/products with improved solar-to-fuel efficiency (STFE) to address a carbon-neutral economy remains a big question. To a large degree, the extent of charge separation at heterojunction interfaces and charge utilization determine the STFE. Towards this, BiVO3 is assembled from ionic-precursors into TiO2 pores, and integrated structurally and electronically with TiO2 on calcination as BiVO4 quantum dots (BVQDs). BVQDs in TiO2 (BVT) pores lead to an all-inorganic system with a sub-quadrillion number of heterojunctions in a 1 cm(2) device (contains similar to 25 mu g of BiVO4 (similar to 2.5 wt\%) in the nanopores of similar to 975 mu g of TiO2 (similar to 97.5 wt\%)) and facilitate artificial photosynthesis. We demonstrate 31-38\% STFE with a photon to chemical conversion turn over frequency (ToF(P2C)) of 2.73 s(-1) with a 1 cm(2) wireless BiVO4-TiO2 artificial leaf (BVT-AL) device for HCHO and CH3OH. The sequential nature of CO2 reduction to HCHO and then to CH3OH is evident from the reaction results. (CO2)-C-13 isotopic labeling experiments confirm that the input CO2 is the source for product formation. A large increase in the photocurrent density and incident photon-to-current efficiency (IPCE) of BVT, over 100\% for the BiVO4 photoanode in visible light, demonstrates and supports efficient visible light absorption, charge separation and migration to the redox sites. A device has been demonstrated to show sustainable activity in direct sunlight, and addresses scalability from 1 to 9 cm(2). Assuming no change (50\% decrease) in the STFE, a 6.74 m(2) device is expected to convert 1 (0.5) kg h(-1) CO2 into C1-oxygenates in sunlight. DFT calculations carried out with anatase TiO2 (101) and BiVO4 (121) interfaces support many of the experimental findings, including electron flow from the latter to the former, and interaction of the oxygen of TiO2 with BiVO4 and vice versa at the interface towards forced heterojunctions.

}, issn = {2050-7488}, doi = {10.1039/d3ta01850d}, author = {Salgaonkar, Kranti N. and Bajpai, Himanshu and Mhamane, Nitin B. and Nalajala, Naresh and Chauhan, Inderjeet and Thakkar, Kavita and Joshi, Kavita and Gopinath, Chinnakonda S.} } @article {48473, title = {Bacterial communities and diversity of western ghats soil: a study of a biodiversity hotspot}, journal = {Current Microbiology}, volume = {80}, year = {2023}, month = {APR}, pages = {108}, type = {Article}, abstract = {

The Western Ghats is one of India{\textquoteright}s mega-diversity hotspots and an ecologically and geologically important area for the diversity of endemic plants and animals. The present study provides insights into the aerobic bacterial diversity and composition of the soils of North Western Ghats located in Maharashtra state (NWGM), India. The samples for the culture-dependent study were collected from 6 different locations namely Malshej Ghat, Bhimashankar, Lonavala, Mulshi, Tail-Baila, and Mahabaleshwar. A total of 173 isolates were obtained from the different samples, which belonged to Proteobacteria (43\%), Firmicutes (36\%), and Actinobacteria (19\%). Sequences of 15 strains shared \<= 98.7\% similarity (a species cut-off) which represent potential novel species. Metagenomic analysis revealed the presence of Actinobacteria and Proteobacteria as the most dominant phyla at both MB and MG. However, both sites showed variation in the composition of rare phyla and other dominant phyla. This difference in bacterial community composition could be due to differences in altitude or other physicochemical properties. The functional prediction from the amplicon sequencing showed the abundance of carbohydrate, protein, and lipid metabolism which was corroborated by screening the isolated bacterial strains for the same. The present study has a unique take on microbial diversity and defines the importance of community assembly processes such as drift, dispersal, and selection. Such processes are relatively important in controlling community diversity, distribution, as well as succession. This study has shown that the microbial community of NWGM is a rich source of polysaccharide degrading bacteria having biotechnological potential.

}, issn = {0343-8651}, doi = {10.1007/s00284-023-03207-1}, author = {Ghare, Uma and Narvekar, Simran and Lodha, Tushar and Mallebhari, Rubiya and Dastager, Syed and Barvkar, Vitthal T. and Dhotre, Dhiraj and Karmalkar, Nitin R. and Pable, Anupama A.} } @article {48816, title = {BAHD-type acyltransferase concludes the biosynthetic pathway of non-bitter glycoalkaloids in ripe tomato fruit}, journal = {Nature Communications}, volume = {14}, year = {2023}, month = {JUL}, pages = {4540}, type = {Article}, abstract = {

During tomato fruit ripening, bitter and toxic steroidal glycoalkaloids (SGAs) are converted to nonbitter and less toxic forms, but proposed acylating enzyme in pathway remain unknown. Here, authors report BAHD-type acyltransferase that catalyze acylation step in biosynthesis of non-bitter SGAs in tomato. Tomato is the highest value fruit and vegetable crop worldwide, yet produces \& alpha;-tomatine, a renowned toxic and bitter-tasting anti-nutritional steroidal glycoalkaloid (SGA) involved in plant defense. A suite of modifications during tomato fruit maturation and ripening converts \& alpha;-tomatine to the non-bitter and less toxic Esculeoside A. This important metabolic shift prevents bitterness and toxicity in ripe tomato fruit. While the enzymes catalyzing glycosylation and hydroxylation reactions in the Esculeoside A pathway have been resolved, the proposed acetylating step remains, to date, elusive. Here, we discovered that GAME36 (GLYCOALKALOID METABOLISM36), a BAHD-type acyltransferase catalyzes SGA-acetylation in cultivated and wild tomatoes. This finding completes the elucidation of the core Esculeoside A biosynthetic pathway in ripe tomato, allowing reconstitution of Esculeoside A production in heterologous microbial and plant hosts. The involvement of GAME36 in bitter SGA detoxification pathway points to a key role in the evolution of sweet-tasting tomato as well as in the domestication and breeding of modern cultivated tomato fruit.

}, doi = {10.1038/s41467-023-40092-5}, author = {Sonawane, Prashant D. and Gharat, Sachin A. and Jozwiak, Adam and Barbole, Ranjit and Heinicke, Sarah and Almekias-Siegl, Efrat and Meir, Sagit and Rogachev, Ilana and O{\textquoteright}Connor, Sarah E. and Giri, Ashok P. and Aharoni, Asaph} } @article {48685, title = {BF3.Et2O-catalyzed selective C-4 alkylation of isoquinolin1(2H)-ones employing p-quinone methides}, journal = {Chemistry-an Asian Journal}, volume = {18}, year = {2023}, month = {Sep}, type = {Article}, abstract = {

The direct C-4 alkylation of isoquinolin-1(2H)-one moiety is a challenging transformation in organic synthesis. Here we present a practical and efficient synthesis of C-4 alkylated isoquinolin-1(2H)-ones through conjugate addition of isoquinolin-1(2H)-ones to p-quinone methides for the first time. The process is facilitated by Lewis acid catalysis and this operationally straightforward, mild, metal-free and one-pot transformation provides a wide range of C-4 alkylated isoquinolin-1(2H)ones at ambient temperature in good to excellent yields.

}, issn = {1861-4728}, doi = {10.1002/asia.202300546}, author = {More, Devidas A. and Ghotekar, Ganesh S. and Muthukrishnan, M.} } @article {48692, title = {Binder-free and flexible VOPO4/CNT film as cathode for aqueous rechargeable Zn-metal battery}, journal = {Advanced Sustainable Systems}, volume = {7}, year = {2023}, month = {SEP}, type = {Article}, abstract = {

Aqueous rechargeable Zn-metal batteries (AZMBs) are promising energy storage aids due to their inherent safety, low cost, and competent performance, with prospects in stationary and portable applications. In this regard, one of the critical requirements is developing electrodes that can adapt to mechanical deformation without compromising the charge storage performance. The current work demonstrates the development of a binder-free and mechanically flexible composite cathode film (VP/fCNT-F, where {\textquoteleft}F{\textquoteright} stands for the film) based on VOPO4 (VP) and functionalized carbon nanotubes (fCNTs). The VP/fCNT-F film processing involves simple vacuum filtration of the composite obtained from the in-situ reaction of the fCNTs and the VP precursor in an aqueous medium. The functionalization of carbon nanotube (CNT) is important for the homogenous dispersion of VP and fCNT. The VP/fCNT-F electrode is used as a monolithic electrode in AZMB cells in combination with both liquid and quasi-solid-state gel polymer electrolytes. Besides, the utility of the VP/fCNT-F electrode in a flexible battery configuration is also demonstrated. Interestingly, in both the coin-cell and flexible configurations, the VP/fCNT-F electrode delivers a comparable discharge capacity of 90 and 78 mAh g(-1), respectively (at 0.1 A g(-1)), validating the advantage of the binder-free VP/fCNT-F electrode for AZMBs.

}, keywords = {binder-free cathodes, flexible batteries, layered VOPO4, polymer gel electrolytes, self-standing flexible films}, issn = {2366-7486}, doi = {10.1002/adsu.202300141}, author = {Dilwale, Swati and Babu, Athira and Puthiyaveetil, Priyanka Pandinhare and Kurian, Maria and Ghosh, Meena and Kurungot, Sreekumar} } @article {48794, title = {Carbohydrate recognition using metal-ligand assemblies}, journal = {Organic \& Biomolecular Chemistry}, volume = {21}, year = {2023}, month = {JUL }, pages = {5492-5505}, type = {Review}, abstract = {

Carbohydrate-binding proteins, known as lectins, play a wide range of vital roles in cellular and pathological processes. Mimicking lectins to achieve specific molecular recognition of carbohydrates in organic and aqueous media using artificial receptors is challenging due to the synthetic hurdles of receptors and structural similarities between sugars. Carbohydrate recognition using non-covalent interactions remains a vast topic. This review summarises the recognition of carbohydrates using metal-ligand assemblies, including metallosupramolecules, macrocycles, and cages. It also highlights the challenges and future directions in the field.

}, issn = {1477-0520}, doi = {10.1039/d3ob00649b}, author = {Ahamed, Rafiq and Venkatesh, Jayashree and Srithar, Rakshantha and Gaikwad, Sudhakar and Pramanik, Susnata} } @article {48678, title = {Catalyst-assisted selective vinylation and methylallylation of a quaternary carbon center using tert-butyl acetate}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {JUL}, pages = {9686-9703}, type = {Article}, abstract = {

The In-(OTf)(3)-catalyzed \& alpha;-vinylationof varioushydroxy-functionalized quaternary carbon centers using in situ generatedisobutylene from tert-butyl acetate is presentedas a novel synthetic methodology. Moreover, tert-butylacetate is a nonflammable feed stock and is a readily available sourcefor the in situ production of vinyl substituents, as demonstratedby the vinylation reaction with quaternary hydroxy/methoxy compounds.Moreover, an excellent selectivity for methylallylation over vinylationwas obtained with Ni-(OTf)(2) as a catalyst. In the case ofperoxyoxindole, methylallyl-functionalized 1,4-benzoxazin-3-one derivativeswere formed through the sequential rearrangement of peroxyoxindolefollowed by the nucleophilic attack by isobutylene. The detailed mechanismfor this reaction and rationalization for the selectivity are providedusing kinetics and density functional theory studies.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.2c03072}, author = {Mohanta, Nirmala and Samal, Pragnya Paramita and Pandey, Akanksha M. and Mondal, Shankhajit and Krishnamurty, Sailaja and Gnanaprakasam, Boopathy} } @article {48318, title = {Challenges and emerging strategies for next generation liposomal based drug delivery: an account of the breast cancer conundrum}, journal = {Chemistry and Physics of Lipids}, volume = {250}, year = {2023}, month = {JAN}, pages = {105258}, type = {Article}, abstract = {

The global cancer burden is witnessing an upsurge with breast cancer surpassing other cancers worldwide. Furthermore, an escalation in the breast cancer caseload is also expected in the coming years. The conventional therapeutic regimens practiced routinely are associated with many drawbacks to which nanotechnological in-terventions offer a great advantage. But how eminent could liposomes and their advantages be in superseding these existing therapeutic modalities? A solution is reflected in this review that draws attention to a decade-long journey embarked upon by researchers in this wake. This text is a comprehensive discussion of liposomes, the front runners of the drug delivery systems, and their active and passive targeting approaches for breast cancer management. Active targeting has been studied over the decade by many receptors overexpressed on the breast cancer cells and passive targeting with many drug combinations. The results converge on the fact that the actively targeted formulations exhibit a superior efficacy over their non-targeted counterparts and the all lipo-somal formulations are efficacious over the free drugs. This undoubtedly underlines the dominion of liposomal formulations over conventional chemotherapy. These investigations have led to the development of different liposomal formulations with active and passive targeting capacities that could be explored in depth. Acknowl-edging and getting a deeper insight into the liposomal evolution through time also unveiled many imperfections and unchartered territories that can be explored to deliver dexterous liposomal formulations against breast cancer and more in the clinical trial pipeline.

}, keywords = {Breast cancer, Liposomal metamorphosis, Receptor-ligand dynamics, Targeted Drug Delivery}, issn = {0009-3084}, doi = {10.1016/j.chemphyslip.2022.105258}, author = {Moudgil, Aliesha and Salve, Rajesh and Gajbhiye, Virendra and Chaudhari, Bhushan P.} } @article {48293, title = {Chemodivergent coupling of azoarenes with benzyl alcohols via a borrowing hydrogen strategy using a well-defined nickel catalyst}, journal = {Catalysis Science \& Technology}, volume = {13}, year = {2023}, month = {MAY }, pages = {2705-2713}, type = {Article}, abstract = {

Chemodivergent (de)hydrogenative coupling of azoarenes with benzyl alcohols is achieved via the N=N bond activation using an inexpensive and well-defined (6-OH-bpy)NiCl2 catalyst. This protocol highlights the construction of C-N bonds via a borrowing hydrogen strategy that offers substituted imines and amines. A range of azo compounds couple with various substituted benzyl alcohols in a tandem hydrogenation/dehydrogenation process. The nickel catalyst along with the K2CO3 or (KOBu)-Bu-t base governed the selectivity in imine and amine formation. A preliminary mechanistic study establishes the crucial role of metal-ligand cooperation (MLC) comprising the distinct radical pathways.

}, issn = {2044-4753}, doi = {10.1039/d3cy00090g}, author = {Bansal, Sadhna and Gonnade, Rajesh G. and Punji, Benudhar} } @article {48459, title = {CO2 electrolysis towards large scale operation: rational catalyst and electrolyte design for efficient flow-cell}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {JUN}, pages = {6774-6795}, type = {Article}, abstract = {

The electrochemical CO2 reduction reaction (CO2RR) to renewable fuels/chemicals is a potential approach towards addressing the carbon neutral economy. To date, a comprehensive analysis of key performance indicators, such as an intrinsic property of catalyst, reaction environment and technological advancement in the flow cell, is limited. In this study, we discuss how the design of catalyst material, electrolyte and engineering gas diffusion electrode (GDE) could affect the CO2RR in a gas-fed flow cell. Significant emphasis is given to scale-up requirements, such as promising catalysts with a partial current density of \>= 100 mA cm(-2) and high faradaic efficiency. Additional experimental hurdles and their potential solutions, as well as the best available protocols for data acquisition for catalyst activity evaluation, are listed. We believe this manuscript provides some insights into the making of catalysts and electrolytes in a rational manner along with the engineering of GDEs towards CO2RR.

}, issn = {1359-7345}, doi = {10.1039/d3cc01231j}, author = {Patra, Kshirodra Kumar and Gopinath, Chinnakonda S.} } @article {48696, title = {Co3O4 for sustainable CO2 reduction and possible fine-tuning towards selective CO production}, journal = {Chemical Engineering Journal}, volume = {471}, year = {2023}, month = {SEP}, pages = {144459}, type = {Article}, abstract = {

Two main challenges involved in heterogeneous catalytic CO2 reduction are: (a) decreasing the consumption of H2 to the minimum required level with possibly the maximum CO2 conversion, and (b) concurrently enhancing the selectivity of the desired CO, at the cost of methane. Towards meeting these two challenges, Co3O4 spinel has been identified as a potential catalyst and it exhibits predominant CO selectivity \> 673 K at atmospheric pressure. CO2 conversion begins \> 523 K, with 100\% CO selectivity observed \> 673 K with CO2:H2 = 3:2. Current work shows a sustainable catalytic CO2 conversion to 100\% CO selectivity with Co3O4-Nanocube (NC). Critically, CO selectivity and yield is observed to increase at the cost of methane with smaller amount of H2. 1:1 and 3:2 CO2:H2 ratio exhibits 88-100\% CO selectivity with 24-32.5\% CO2 conversion between 623 and 823 K. Irrespective of the input CO2:H2, ratio of CO2:H2 uptake changes from around 1:3 at 523 K to 1:1-1.5 at 823 K with concurrent production of significant methane to predominant CO, respectively. Surface electronic state changes was explored by near ambient pressure photoelectron spectroscopy, and the results suggests that Co3O4 is the active phase that promotes CO2 reduction selectively to CO. Broadening observed with the vibrational feature of the CO2 molecules at high temperature underscores the heterogeneous character of the catalyst surface, under operating conditions, due to changing electron density. By optimizing the gas hourly space velocity (GHSV), H2-lean CO2:H2 ratio, and the reaction temperature/pressure, 100\% CO selectivity could be broadened to a range of operating conditions.

}, keywords = {Carbon neutral economy, heterogeneous catalysis, RWGS, SDG, Surface Science}, issn = {1385-8947}, doi = {10.1016/j.cej.2023.144459}, author = {Ranjan, Ravi and Tekawadia, Jyoti and Jain, Ruchi and Mhamane, Nitin B. and Raja, Thirumalaiswamy and Gopinath, Chinnakonda S.} } @article {48793, title = {Cocrystal approach to modulate the photoluminescent properties of a GFP chromophore analogue: role of halogen/hydrogen bonding in achieving a wide range of solid-state fluorescence emissions}, journal = {Crystal Growth \& Design}, volume = {23}, year = {2023}, month = {JUN }, pages = {5052-5065}, type = {Article}, abstract = {

Fine-tuning the photophysical properties of fluorescentorganicsolids is essential to attain multicolor displays and meet the demandfor futuristic light-emitting materials. Here, we report the tunableluminescence of a green fluorescent protein (GFP) chromophore analogue,3,4,5-TIA (A), based on the formation of two-component molecular cocrystalswith six different coformers. Coformers selected to synthesize thebinary cocrystals include 1,4-diiodotetrafluorobenzene (B), perfluoronaphthalene(C), 1,4-dibromotetrafluorobenzene (D), 2,3,5,6-tetrafluoroterephthalicacid (E), benzene-1,2,4,5-tetracarbonitrile (F), and benzene-1,2,4,5-tetracarboxylicacid (G). Interestingly, the cocrystals A center dot C and A center dot Fshowed molecular crystal polymorphism with a slight variation in fluorescence,revealing an aggregation-induced emission (AIE). A crystal structureanalysis showed the interplay of hydrogen bonding, halogen bonding,and aromatic pi-stacking interactions in associating neutralsolid components in the cocrystal. All of the novel cocrystals displayeda wide range of photoluminescence ranging from blue to dark orange.The time-dependent density functional theory (TD-DFT) calculationsindicate the changes in the energy level structures (HOMO to LUMO)in cocrystals that resulted in variations in fluorescence emission.The study aims to further understand the structure-propertyrelationship between molecular arrangement and photoluminescence. Cocrystals of a GFPc analogue with differentcoformers displayeda wide range of fluorescence emissions ranging from blue to dark orangewith varying quantum yields. With similar geometries of pi-stackinginteractions, hydrogen and halogen bonding have played a vital rolein fine-tuning the photoluminescence; halogen bonding leads to a blueshift, and hydrogen bonding results in a red shift.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.3c00307}, author = {Mali, Bhupendra P. and Dash, Soumya Ranjan and Annadhasan, Mari and Biswas, Anupam and Manoj, Kochunnoonny and Vanka, Kumar and Gonnade, Rajesh G.} } @article {48812, title = {Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration}, journal = {CrystEngComm}, volume = {25}, year = {2023}, month = {OCT }, pages = {5565-5574}, type = {Article}, abstract = {

A multi-kinase inhibitor, pazopanib (PAZ) is cocrystallized with cyclooxygenase (COX) inhibitor fenamic acids to investigate the dissolution rate and inhibition of cell migration in VEGF-triggered HUVEC cells to test the efficacy of stoichiometric drug-drug combinations. Crystallization experiments at the sub-milligram level in an acetonitrile-methanol mixture yielded two drug-drug salt forms of PAZ with flufenamic acid (FFA) and niflumic acid (NFA) as PAZ+center dot FFA-center dot ACN (an acetonitrile solvate named as form I) and PAZ+center dot NFA-. Structures of the crystal forms were characterized by single crystal X-ray diffraction (SC-XRD) method. Crystal structures revealed that the presence of a 2-aminopyrimidine group in PAZ is a strong partner for the carboxyl group in all solid forms, forming an acidMIDLINE HORIZONTAL ELLIPSISpyrimidine heterosynthon with COX inhibitor fenamic acids. To perform dissolution experiments and cell line analysis, the scale-up of both salt forms were done in the acetonitrile-methanol mixture through crystallization, which showed a polymorphic transformation in the case of PAZ+center dot FFA-center dot ACN (an acetonitrile solvate named form II). The thermodynamic stability of PAZ+center dot FFA-center dot ACN (form II) and PAZ+center dot NFA- were analysed using slurry experiment under ambient conditions in pH 1.2 (0.1 N HCl) buffer medium and the residual solid phase was characterized by powder XRD, which showed that PAZ+center dot FFA-center dot ACN (form II) was a metastable solid form while PAZ+center dot NFA- was a stable solid form. The dissolution experiments at gastric pH 1.2 showed that the rate of dissolution of PAZ+center dot FFA-center dot ACN was 10 times higher than PAZ+center dot NFA-. The cell migration assay suggested that PAZ+center dot FFA-center dot ACN inhibited similar to 25\% and PAZ+center dot NFA- inhibited similar to 20\% migration of HUVEC cells compared to PAZ alone. These investigations suggested that the drug-drug salts PAZ+center dot FFA- and PAZ+center dot NFA- would be potential combo drug candidates for clinical trials. Multi-drug crystalline salts of pazopanib with fenamic acids exhibit enhanced dissolution and 20\% higher inhibition in the migration of HUVEC cells compared to the reference drug.

}, doi = {10.1039/d3ce00773a}, author = {Rai, Sunil K. and Gunnam, Anilkumar and Roy, Debopriya and Rajput, Raveena and Kulkarni, Kiran and Nangia, Ashwini K.} } @article {48302, title = {Comparison of the solid-state and submerged fermentation derived secretomes of hyper-cellulolytic Penicillium janthinellum NCIM 1366 reveals the changes responsible for differences in hydrolytic performance}, journal = {Bioresource Technology}, volume = {371}, year = {2023}, month = {MAR}, pages = {128602}, type = {Article}, abstract = {

better hydrolytic performance along with a higher initial rate of reaction. Secretome analyses of the SSF and SmF enzymes using LC/MS-MS, indicated that while the type of proteins secreted were similar in both modes, the abundance of specific beta glucosidases, lytic polysaccharide monooxygenases and hemicellulolytic enzymes were very high in SSF resulting in efficient initiation, low accumulation of cellobiose and high initial reaction rates. Key enzymes that catalyse lignocellulose breakdown under SSF and SmF are therefore different and the fungus may be speculated to have regulation mechanisms that aid differential expression under different culti

}, keywords = {Cellulase, Solid -state fermentation}, issn = {0960-8524}, doi = {10.1016/j.biortech.2023.128602}, author = {Sankar, Meena and Mathew, Reshma M. and Puthiyamadam, Anoop and Sreeja-Raju, Athiraraj and Christopher, Meera and Gokhale, Digambar Vitthal and Sukumaran, Rajeev K.} } @article {48687, title = {On the competition between six-membered and five-membered NHC towards alane centered ring expansion}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {JUL}, pages = {8540-8543}, type = {Article}, abstract = {

The combination of 6-SIDipp center dot AlH3 (1) and 5-IDipp resulted in the ring expansion of 6-NHC, while the five-membered NHC remained unchanged, which was subsequently explained by DFT studies. Besides, the substitution chemistry of 1 was also studied with TMSOTf and I-2, which gave rise to the substitution of a hydride by triflate or iodide ligands.

}, issn = {1359-7345}, doi = {10.1039/d3cc02063k}, author = {Balayan, Kajal and Sharma, Himanshu and Vanka, Kumar and Ravindranathan, Sapna and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {48319, title = {Comprehensive molecular and clinical investigation of approved Anti-HCV drugs repurposing against SARS-CoV-2 infection: a glaring gap between benchside and bedside medicine}, journal = {Vaccines}, volume = {11}, year = {2023}, month = {MAR}, pages = {515}, type = {Article}, abstract = {

The limited availability of effective treatment against SARS-CoV-2 infection is a major challenge in managing COVID-19. This scenario has augmented the need for repurposing anti-virals for COVID-19 mitigation. In this report, the anti-SARS-CoV-2 potential of anti-HCV drugs such as daclatasvir (DCV) or ledipasvir (LDP) in combination with sofosbuvir (SOF) was evaluated. The binding mode and higher affinity of these molecules with RNA-dependent-RNA-polymerase of SARS-CoV-2 were apparent by computational analysis. In vitro anti-SARS-CoV-2 activity depicted that SOF/DCV and SOF/LDP combination has IC50 of 1.8 and 2.0 mu M, respectively, comparable to remdesivir, an approved drug for COVID-19. Furthermore, the clinical trial was conducted in 183 mild COVID-19 patients for 14 days to check the efficacy and safety of SOF/DCV and SOF/LDP compared to standard of care (SOC) in a parallel-group, hybrid, individually randomized, controlled clinical study. The primary outcomes of the study suggested no significant difference in negativity after 3, 7 and 14 days in both treatments. None of the patients displayed any worsening in the disease severity, and no mortality was observed in the study. Although, the post hoc exploratory analysis indicated significant normalization of the pulse rate showed in SOF/DCV and SOF/LDP treatment vs. SOC. The current study highlights the limitations of bench side models in predicting the clinical efficacy of drugs that are planned for repurposing.

}, keywords = {antiviral, COVID-19, daclatasvir, ledipasvir, SARS-CoV-2, sofosbuvir}, doi = {10.3390/vaccines11030515}, author = {Bansode, Sneha and Singh, Pawan Kumar and Tellis, Meenakshi and Chugh, Anita and Deshmukh, Narendra and Gupta, Mahesh and Verma, Savita and Giri, Ashok and Kulkarni, Mahesh and Joshi, Rakesh and Chaudhary, Dhruva} } @article {48833, title = {Covalent organic framework thin-film photodetectors from solution-processable porous nanospheres}, journal = {Journal of the American Chemical Society}, volume = {145}, year = {2023}, month = {JAN}, pages = {1649-1659}, type = {Article}, abstract = {

The synthesis of homogeneous covalent organic framework (COF) thin films on a desired substrate with decent crystallinity, porosity, and uniform thickness has great potential for optoelectronic applications. We have used a solution-processable sphere transmutation process to synthesize 300 +/- 20 nm uniform COF thin films on a 2 x 2 cm2 TiO2-coated fluorine-doped tin oxide (FTO) surface. This process controls the nucleation of COF crystallites and molecular morphology that helps the nanospheres to arrange periodically to form homogeneous COF thin films. We have synthesized four COF thin films (TpDPP, TpEtBt, TpTab, and TpTta) with different functional backbones. In a close agreement between the experiment and density functional theory, the TpEtBr COF film showed the lowest optical band gap (2.26 eV) and highest excited-state lifetime (8.52 ns) among all four COF films. Hence, the TpEtBr COF film can participate in efficient charge generation and separation. We constructed optoelectronic devices having a glass/FTO/TiO2/COF-film/Au architecture, which serves as a model system to study the optoelectronic charge transport properties of COF thin films under dark and illuminated conditions. Visible light with a calibrated intensity of 100 mW cm-2 was used for the excitation of COF thin films. All of the COF thin films exhibit significant photocurrent after illumination with visible light in comparison to the dark. Hence, all of the COF films behave as good photoactive substrates with minimal pinhole defects. The fabricated out-of-plane photodetector device based on the TpEtBr COF thin film exhibits high photocurrent density (2.65 +/- 0.24 mA cm-2 at 0.5 V) and hole mobility (8.15 +/- 0.64 x10-3 cm2 V-1 S-1) compared to other as synthesized films, indicating the best photoactive characteristics.

}, issn = {0002-7863}, doi = {10.1021/jacs.2c09838}, author = {Bag, Saikat and Sasmal, Himadri Sekhar and Chaudhary, Sonu Pratap and Dey, Kaushik and Blaette, Dominic and Guntermann, Roman and Zhang, Yingying and Poloz, Miroslav and Kuc, Agnieszka and Shelke, Ankita and Vijayaraghavan, Ratheesh K. and Ajithkumar, Thalasseril G. and Bhattacharyya, Sayan and Heine, Thomas and Bein, Thomas and Banerjee, Rahul} } @article {48261, title = {Covalently interconnected layers in g-C3N4: toward high mechanical stability, catalytic efficiency and sustainability}, journal = {Applied Catalysis B: Environmental}, volume = {322}, year = {2023}, month = {MAR}, pages = {122069}, type = {Article}, abstract = {

The grim prospects for the industrial utilization of g-C3N4 nanosheets arise from multi-step processing resulting in low material yields and poor visible light response due to quantum confinement. Herein, we introduce a strategy for linking the adjacent layers of g-C3N4 covalently to realize a high surface area without excess mass loss in a one-step process by introducing diethylene glycol as a precursor that produces-(CH2)2-O-(CH2)2-linkers in-situ. Their presence increases interlayer spacing and introduces surface curvatures, discouraging the stacking of a larger number of layers to produce nanosheets with-3 times higher surface area. Interestingly, unlike other layered materials, the linkers also provide extraordinary mechanical stability against exfoliating forces. In addition, the process instills sub-bandgap states and a considerable visible light response at 500 nm to slow down the picosecond exciton recombination dynamics, resulting in-5 times enhancement in H2 generation efficiency from photocatalytic water-splitting over the bulk sample.

}, keywords = {Layer-linkers, Sustainable synthesis, Transient absorption spectroscopy, water-splitting}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2022.122069}, author = {Roy, Raj Sekhar and Mondal, Sanjit and Mishra, Samita and Banoo, Maqsuma and Sahoo, Lipipuspa and Kumar, Amit and Vinod, C. P. and De, Arijit K. and Gautam, Ujjal K.} } @article {48825, title = {Dabrafenib-panobinostat salt: improving the dissolution rate and inhibition of BRAF melanoma cells}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {MAY }, pages = {18255-18265}, type = {Article}, abstract = {

Cocrystallization of the drug-drug salt-cocrystal of the histone deacetylase inhibitor (HDACi) panobinostat (PAN) and b-rapidly accelerated fibrosarcoma (BRAF) inhibitor dabrafenib (DBF) afforded single crystals of a two-drug salt stabilized by N+-H center dot center dot center dot O and N+-H center dot center dot center dot N- hydrogen bonds between the ionized panobinostat ammonium donor and dabrafenib sulfonamide anion acceptor in a 12-member ring motif. A faster dissolution rate for both drugs was achieved through the salt combination compared to the individual drugs in an aqueous acidic medium. The dissolution rate exhibited a peak concentration (Cmax) of approximately 310 mg cm-2 min-1 for PAN and 240 mg cm-2 min-1 for DBF at a Tmax of less than 20 min under gastric pH 1.2 (0.1 N HCl) compared to the pure drug dissolution values of 10 and 80 mg cm-2 min-1, respectively. The novel and fast-dissolving salt DBF-center dot PAN+ was analyzed in BRAFV600E melanoma cells Sk-Mel28. DBF-center dot PAN+ reduced the dose-response from micromolar to nanomolar concentrations and lowered IC50 (21.9 +/- 7.2 nM) by half compared to PAN alone (45.3 +/- 12.0 nM). The enhanced dissolution and lower survival rate of melanoma cells show the potential of novel DBF-center dot PAN+ salt in clinical evaluation.

}, issn = {2470-1343}, doi = {10.1021/acsomega.3c01881}, author = {Rai, Sunil K. and Marverti, Gaetano and Gunnam, Anilkumar and Allu, Suryanarayana and Nangia, Ashwini K.} } @article {48300, title = {Design and synthesis of 1,3-diynes as potent antifungal agents against aspergillus fumigatus}, journal = {ChemMedChem}, volume = {18}, year = {2023}, month = {MAY }, type = {Article}, abstract = {

Eugenol and isoeugenol, secondary metabolites isolated from the plant Myristica fragrans have displayed antifungal activities against Aspergillus fumigatus (IC50 1900 mu M). Compounds having conjugated unsaturation have been of great use as antifungals i. e. amphotericin B, nystatin and terbinafine etc. Hence, in the present study, we have designed and synthesised 1,3-diynes by utilizing Glaser-Hay and Cadiot-Chodkiewicz coupling reactions to furnish possible antifungal agents. Synthesis of 1,6-diphenoxyhexa-2,4-diyne derivatives was achieved by Cu(I) catalysed coupling of propargylated eugenol, isoeugenol, guaiacol, vanillin and dihydrogenated eugenol or eugenol in good to excellent yields. All the synthesized compounds were evaluated against pathogenic fungus A. fumigatus. Among all the synthesized compounds, one of the compounds was found to be exhibiting promising antifungal activity with IC50 value of 7.75 mu M thereby suggesting that this type of scaffold could pave the way for developing new antifungal agents. The most active compound was found to be low cytotoxic when assayed against L-132 cancer cell line. Effect of the most active compound on ergosterol biosynthesis has also been studied. Also, the most active compound exhibited significant anti-biofilm activity although the concentration was found to be higher than its anti-fungal activity. Morphological changes in the biofilm were remarkable under confocal laser scanning microscopy.

}, keywords = {1, 3-Diynes, Antifungal agents, Aspergillus fumigatus, Cadiot-Chodkiewicz, Glaser-Hay}, issn = {1860-7179}, doi = {10.1002/cmdc.202300013}, author = {Goswami, Lakshmi and Gupta, Lovely and Paul, Sayantan and Vijayaraghavan, Pooja and Bhattacharya, Asish K.} } @article {48474, title = {Design and synthesis of piano-stool ruthenium(II) complexes and their studies on the inhibition of amyloid ? (1-42) peptide aggregation}, journal = {International Journal of Biological Macromolecules}, volume = {239}, year = {2023}, month = {JUN }, pages = {124197}, type = {Article}, abstract = {

Misfolding , protein aggregation have been linked to numerous human neurodegenerative disorders such as Alzheimer{\textquoteright}s, prion , Parkinson{\textquoteright}s diseases. Ruthenium (Ru) complexes have received considerable attention in studying protein aggregation due to their interesting photophysical and photo properties. In this study, we have synthesized the novel Ru complexes ([Ru(p-cymene)Cl(L-1)][PF6](Ru-1), and [Ru(p-cymene)Cl(L-2)][PF6](Ru-2)) and investigated their inhibitory activity against the bovine serum albumin (BSA) aggregation and the A beta 1-42 peptides amyloid formation. Several spectroscopic methods were used to characterize these complexes, and the molecular structure of the complex was determined by X-ray crystallography. Amyloid aggregation and inhi-bition activities were examined using the Thioflavin-T (ThT) assay, and the secondary structures of the protein were analyzed by circular dichroism (CD) spectroscopy and transmission electron microscopy (TEM). The cell viability assay was carried out on the neuroblastoma cell line, revealing that the complex Ru-2 showed better protective effects against A beta 1-42 peptide toxicity on neuro-2a cells than the complex Ru-1. Molecular docking studies elucidate the binding sites and interactions between the Ru-complexes and A beta 1-42 peptides. The exper-imental studies revealed that these complexes significantly inhibited the BSA aggregation and A beta 1-42 amyloid fibril formation at 1:3 and 1:1 molar concentrations, respectively. Antioxidant assays demonstrated that these complexes act as antioxidants, protecting from amyloid-induced oxidative stress. Molecular docking studies with the monomeric A beta 1-42 (PDB: 1IYT) show hydrophobic interaction, and both complexes bind preferably in the central region of the peptide and coordinate with two binding sites of the peptide. Hence, we suggest that the Ru-based complexes could be applied as a potential agent in metallopharmaceutical research against Alzheimer{\textquoteright}s disease.

}, keywords = {Aggregation, Amyloid ?(1-42) peptide, DFT computation, Fibrillization, Molecular docking, Ruthenium complexes}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2023.124197}, author = {Singh, Sain and Navale, Govinda R. and Agrawal, Sonia and Singh, Haobam Kisan and Singla, Labhini and Sarkar, Dhiman and Sarma, Manabendra and Choudhury, Anghuman Roy and Ghosh, Kaushik} } @article {48757, title = {Direct deoxygenation of α-hydroxy and α,β-dihydroxy ketones using a silyl lithium reagent}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {SEP}, pages = {14227-14235}, type = {Article}, abstract = {

A reliable method for the one-step direct deoxygenation of alpha-hydroxy ketones has been developed using a silyl lithium reagent and acetic anhydride. The method is metal-catalyst-free and does not require prefunctionalization of the hydroxy group prior to its removal. Deoxygenation of different primary, secondary, and tertiary alcohols was carried out with up to 98\% isolated yield. Additionally, double deoxygenation was achieved when the present method was applied to alpha,beta-dihydroxy ketones to access the corresponding enones in a single step.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c01613}, author = {Zade, Vishal M. and Gangnale, Laxmikant D. and Athawale, Paresh R. and Reddy, D. Srinivasa} } @article {48694, title = {Domain shuffling and site-saturation mutagenesis for the enhanced inhibitory potential of amaranthaceae α-amylase inhibitors}, journal = {Protein Journal}, volume = {42}, year = {2023}, month = {OCT}, pages = {519-532}, type = {Article}, abstract = {

Amaranthaceae a-amylase inhibitors (AAIs) are knottin-type proteins with selective inhibitory potential against coleopteran a-amylases. Their small size and remarkable stability make them exciting molecules for protein engineering to achieve superior selectivity and efficacy. In this report, we have designed a set of AAI pro- and mature peptides chimeras. Based on in silico analysis, stable AAI chimeras having a stronger affinity with target amylases were selected for characterization. In vitro studies validated that chimera of the propeptide from Chenopodium quinoa a-AI and mature peptide from Beta vulgaris a-AI possess 3, 7.6, and 4.26 fold higher inhibition potential than parental counterparts. Importantly, recombinant AAI chimera retained specificity towards target coleopteran a-amylases. In addition, to improve the inhibitory potential of AAI, we performed in silico site-saturation mutagenesis. Computational analysis followed by experimental data showed that substituting Asparagine at the 6th position with Methionine had a remarkable increase in the specific inhibition potential of Amaranthus hypochondriacus a-AI. These results provide structural-functional insights into the vitality of AAI propeptide and a potential hotspot for mutagenesis to enhance the AAI activity. Our investigation will be a toolkit for AAI{\textquoteright}s optimization and functional differentiation for future biotechnological applications.

}, keywords = {\& alpha, -Amylase, -Amylase inhibitors, Amaranthaceae, Coleoptera, Peptide, Pest control}, issn = {1572-3887}, doi = {10.1007/s10930-023-10148-y}, author = {Rane, Ashwini S. and Nair, Vineetkumar S. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {48771, title = {Donor strapped perylene bisimide macrocycle and its lemniscate dimer with extended charge separation}, journal = {Inorganic Chemistry Frontiers}, volume = {10}, year = {2023}, month = {OCT }, pages = {5099-5107}, type = {Article}, abstract = {

Macrocyclic structures are fascinating due to their unique design and capability to place chromophores in specific orientations, resulting in exciting optoelectronic properties. However, the synthetic challenges limit the broad exploration of such systems. Herein, we report a thiophene-diacetylene-based ring strapped perylene bisimide macrocycle and its notably different electron transfer features. Single-crystal analysis of the macrocycle pointed to the nearly orthogonal placement of donor-acceptor units, facilitating better electronic communication between them. Interestingly, introduction of an alkyl substituent on the peripheral thiophene ring opened the possibility of forming a higher oligomer macrocycle consisting of two strapped perylene bisimide units. Diffusion and two-dimensional NMR experiments provided insight into the structure of the figure-eight-shaped lemniscate dimer. Transient absorption measurements showed faster electron transfer and extended stabilization of the charge-separated state. The thiophene-diacetylene-based ring is a better donor unit to facilitate rapid electron transfer and extended charge separation in the macrocycle and its lemniscate dimer. The new macrocycle design enables the formation of higher analogs equally capable of stabilizing the charge-separated state. Donor-acceptor (D-A) macrocycle designs position the respective units to achieve ultrafast electron transfer precisely and an extended charge-separated state. Here, we report a D-A macrocycle and its lemniscate dimer molecule with exciting electron transfer features.

}, issn = {2052-4129}, doi = {10.1039/d3qo01060k}, author = {Veer, Sairam Dnyaneshwar and Goswami, Tanmay and Ravindranathan, Sapna and Gonnade, Rajesh and Kharbanda, Nitika and Ghosh, Hirendra N. and Babu, Sukumaran Santhosh} } @article {48830, title = {Early cellular events and potential regulators of cellulase induction in Penicillium janthinellum NCIM 1366}, journal = {Scientific Reports}, volume = {13}, year = {2023}, month = {MAR}, pages = {5057}, type = {Article}, abstract = {

Cellulase production by fungi is tightly regulated in response to environmental cues, and understanding this mechanism is a key pre-requisite in the efforts to improve cellulase secretion. Based on UniProt descriptions of secreted Carbohydrate Active enZymes (CAZymes), 13 proteins of the cellulase hyper-producer Penicillium janthinellum NCIM 1366 (PJ-1366) were annotated as cellulases- 4 cellobiohydrolases (CBH), 7 endoglucanases (EG) and 2 beta glucosidases (BGL). Cellulase, xylanase, BGL and peroxidase activities were higher for cultures grown on a combination of cellulose and wheat bran, while EG was stimulated by disaccharides. Docking studies indicated that the most abundant BGL- Bgl2- has different binding sites for the substrate cellobiose and the product glucose, which helps to alleviate feedback inhibition, probably accounting for the low level of glucose tolerance exhibited. Out of the 758 transcription factors (TFs) differentially expressed on cellulose induction, 13 TFs were identified whose binding site frequencies on the promoter regions of the cellulases positively correlated with their abundance in the secretome. Further, correlation analysis of the transcriptional response of these regulators and TF-binding sites on their promoters indicated that cellulase expression is possibly preceded by up-regulation of 12 TFs and down-regulation of 16 TFs, which cumulatively regulate transcription, translation, nutrient metabolism and stress response.

}, issn = {2045-2322}, doi = {10.1038/s41598-023-32340-x}, author = {Christopher, Meera and Sreeja-Raju, Athiraraj and Abraham, Amith and Gokhale, Digambar Vitthal and Pandey, Ashok and Sukumaran, Rajeev K.} } @article {48762, title = {Effect of charge and solvation shell on non-radiative decay processes in s-block cationic metal ion water clusters}, journal = {Journal of Chemical Physics}, volume = {159}, year = {2023}, month = {AUG }, pages = {054304}, type = {Article}, abstract = {

Intermolecular Coulombic decay or electron transfer-mediated decay are the autoionization processes through which a molecule can relax. This relaxation is only possible if the inner valence{\textquoteright}s ionization potential (IP) exceeds the system{\textquoteright}s double ionization potential (DIP). To study the effects of charge and solvation shell, we have calculated the IP, DIP values, and lifetime of Na-2s and Mg-2s temporary bound states in various optimized structures of Na+-(H2O)(n) and Mg2+-(H2O)(n) (n = 1-5) micro-solvated clusters, where n water molecules are distributed in a way that some are directly bound to the metal ion and the rest to the water molecules. The first and second solvation shells are the names for the former and the latter water-binding positions, respectively. For a given n, the lifetime of decaying states is longer when water molecules are in the second solvation shell. We found that the Mg-2p state can decay for all n values in Mg2+-(H2O)(n) clusters, whereas the Na-2p state{\textquoteright}s decay is possible for n \>= 2 in Na+-(H2O)(n) clusters. Our findings highlight the influence of metal ions{\textquoteright} charge, different solvation shell structures, and the number of water molecules on the decay rate. These systems are relevant to the human body, which makes this study significant.

}, issn = {0021-9606}, doi = {10.1063/5.0153598}, author = {Kumar, Ravi and Ghosh, Aryya and Vaval, Nayana} } @article {48821, title = {The effect of substituents on the aggregation-induced emission of 9,10-phenanthraquinone-hydrazones}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {AUG }, pages = {15066-15075}, type = {Article}, abstract = {

Organic luminophores, particularly \& pi;-conjugated systems, have become crucial in modern optoelectronic devices that utilise luminescence as an output signal, requiring aggregate or solid-states, such as nanoparticles, thin films, or crystals. Herein, we report the one-step synthesis of six hydrazone derivatives using condensation reactions between 9,10-phenanthrenedione and different aromatic hydrazines, comprising electron-donating/electron-withdrawing groups and a quinoline moiety. The introduction of a conjugated \& pi;-system leads to complete co-planarization of molecules resulting in large bathochromic shifts in their absorption profile, the maximum red-shifts ever observed for the hydrazones. These hydrazones are weakly fluorescent in dilute acetonitrile solutions. However, they exhibit enhanced emissions of up to 300-fold in aggregated states. Dynamic light scattering (DLS) and scanning electron microscopy (SEM) studies support nanoaggregate formation. All the compounds exhibit red to NIR emissions in their crystalline state with as high as 75\% quantum efficiency.

}, issn = {1144-0546}, doi = {10.1039/d3nj02198j}, author = {Kumar, M. Naveen and Lyngkhoi, Deikrisha Lyngdoh and Gaikwad, Sudhakar and Samanta, Debabrata and Khatua, Snehadrinarayan and Pramanik, Susnata} } @article {48755, title = {Enhancing diradical character of chichibabin{\textquoteright}s hydrocarbon through fluoride substitution}, journal = {ChemPlusChem}, volume = {88}, year = {2023}, month = {AUG}, pages = {e202300273}, type = {Article}, abstract = {

In this work, 5-SIDipp [SIDipp=1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] (1) derived Chichibabin{\textquoteright}s hydrocarbon with an octafluorobiphenylene spacer (3) has been reported. The addition of two equivalents of 5-SIDipp with decafluorobiphenyl in presence of BF3 gives the double C-F bond activated imidazolium salt with two tetrafluoroborate anions, 2. Further reduction of 2 gives the fluorine substituted 5-SIDipp based Chichibabin{\textquoteright}s hydrocarbon, 3. Quantum chemical calculations suggested a singlet state of 3 with a singlet-triplet energy gap (?ES-T) of 3.7 kcal mol(-1), which is substantially lower with respect to the hydrogen substituted NHC-based Chichibabin{\textquoteright}s hydrocarbons (10.7 kcal mol(-1), B3LYP). As a result, the diradical character (y) of 3 (y=0.62) is also noticeably higher than the hydrogen substituted CHs (y=0.41-0.43). The ?ES-T was found to be higher in CASSCF (22.24 kcal mol(-1)) and CASPT2 (11.17 kcal mol(-1)) for 3 and the diradical character (d) is 44.6 \%.

}, keywords = {C-F Bond Activation, Chichibabin \& PRIME, DFT, N-Heterocyclic carbene, s Hydrocarbon}, issn = {2192-6506}, doi = {10.1002/cplu.202300273}, author = {Kundu, Gargi and Dash, Soumya Ranjan and Kumar, Ravi and Vanka, Kumar and Ghosh, Aryya and Sen, Sakya S.} } @article {48682, title = {Evaluation of the adhesive properties of vanillin-derived polyhydroxy urethanes}, journal = {Journal of Applied Polymer Science}, volume = {140}, year = {2023}, month = {Dec}, pages = {e54647}, type = {Article}, abstract = {

Poly(hydroxy urethanes) (PHUs) have been considered attractive and safer variants of conventional polyurethanes (PUs). To improve the prerequisites of green and sustainable chemistry herein, we propose the synthesis and utilization of cyclic carbonate monomers majorly derived from vanillin, a lignin derivative, and CO2 for the development of PHUs. Kinetic evaluation on the polymerization temperature ascertained 80 degrees C as the optimum condition for PHU synthesis. The structural evaluation of PHUs was carried out by various spectroscopic techniques, such as FTIR, (HNMR)-H-1, and C-13-NMR, molar masses were determined by gel permeation chromatography (Mn varied between 2500 and 11,100 g/mol), and thermal properties evaluated by differential scanning calorimeter (Tg in the ranges of 28-42 degrees C), and thermogravimetric analysis (stable above 180 degrees C). Since the PHUs are enriched with pendant hydroxyl groups on their backbone which can promote adhesion, lap shear studies on the aluminum substrate exhibited a maximum shear strength of 1.65 +/- 0.37 MPa. This study demonstrates an attractive and environment-friendly pathway for developing novel PHUs network using renewable biobased resources and further explores its applicability as adhesives.

}, keywords = {adhesive, biobased cyclic dicarbonate, diamines, poly(hydroxyurethane)s, Vanillin}, issn = {0021-8995}, doi = {10.1002/app.54647}, author = {Ghuge, Gorakh Hiraman and Kambikanam, Karthika Vayalachery and Nair, Kiran Sukumaran} } @article {48747, title = {Exploration of different solid variants of the anticancer medication Panobinostat (PNB) with improved physicochemical attributes}, journal = {Journal of Molecular Structure}, volume = {1292}, year = {2023}, month = {NOV }, pages = {136086}, type = {Article}, abstract = {

Panobinostat (PNB), is a medication used for the treatment of multiple myeloma. It is a BCS Class II drug with strong permeability and poor solubility. Therefore, it is highly desirable to investigate novel PNB variants with improved physiochemical properties. In this regard, several solid forms of PNB have been produced employing mechanochemistry and solution crystallisation techniques using a variety of GRAS (Generally Recognized as Safe) salt formers, notably oxalic acid (OA), fumaric acid (FA), maleic acid (MA), and succinic acid (SA). Powder X-Ray Diffraction (PXRD), Single Crystal X-Ray Diffraction (SCXRD), and thermal analysis such as Thermogravimetric analysis (TGA) and Differential Scanning Calorimetry (DSC) were used to characterize all the synthesised molecular adducts. Hirshfeld surfaces and fingerprint plots demonstrate that the molecular entities are stabilized by O \& BULL;\& BULL;\& BULL;H, C \& BULL;\& BULL;\& BULL;H, C \& BULL;\& BULL;\& BULL;C and H \& BULL;\& BULL;\& BULL;H intermolecular interactions. Moreover, the solubility of parent PNB and its molecular adducts in pH 1.2/pH 6.8 was evaluated at room temperature. In every instance, an increase in the solubility of molecular salts relative to the parent medication is seen, notably PNB.MA exhibits enhanced solubility of 0.294 mg/ml, a 73fold increase over the parent PNB. Furthermore, it is observed that this upsurge in solubility of all the forms is static at pH 1.2. A thorough analysis of the recovered residue after solubility showed that most of the molecular adducts were stable at pH 6.8 and did not display any phase change or dissociation (with the exception of PNB.MA), but at pH 1.2 they transferred into a new stable form and extensive analysis confirmed that it converted into PNB.Cl salt. To the best of our knowledge, this is the first report on novel solid forms of PNB with enhanced physicochemical properties which implies that the obtained PNB molecular adduct may help in the development of improved PNB formulations.

}, keywords = {Hydrogen bond, Molecular adducts, solubility, Solvates}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2023.136086}, author = {Kenguva, Gowtham and Giri, Lopamudra and Rout, Smruti Rekha and Acharya, Achyuta Nanda and Dandela, Rambabu} } @article {48266, title = {FeCl2-catalyzed rearrangement of aryl peroxyoxindole into 1,3-benzooxazin-4-One}, journal = {Advanced Synthesis \& Catalysis}, volume = {365}, year = {2023}, month = {FEB}, pages = {515-521}, type = {Article}, abstract = {

We report an FeCl2-catalyzed radical rearrangement of aryl peroxyoxindoles into 1,3-benzooxazin-2-ones to obtain a variety of aryl substituted 1,3-benzooxazin-4-ones in moderate to good yields. Mechanistically, this skeletal rearrangement of peroxyoxindoles proceeded via radical pathway and was well supported with a series of experimental findings and DFT studies.

}, keywords = {1, 3-Benzooxazin-4-one, FeCl2, Peroxyoxindole, rearrangement, Ring expansion}, issn = {1615-4150}, doi = {10.1002/adsc.202201308}, author = {Mohanta, Nirmala and Samal, PragnyaParamita and Krishnamurty, Sailaja and Gnanaprakasam, Boopathy} } @article {48338, title = {G4-binding drugs, chlorpromazine and prochlorperazine, repurposed against COVID-19 infection in hamsters}, journal = {Frontiers in Molecular Biosciences}, volume = {10}, year = {2023}, month = {MAR }, pages = {1133123}, type = {Article}, abstract = {

The COVID-19 pandemic caused by SARS-CoV-2 has caused millions of infections and deaths worldwide. Limited treatment options and the threat from emerging variants underline the need for novel and widely accessible therapeutics. G-quadruplexes (G4s) are nucleic acid secondary structures known to affect many cellular processes including viral replication and transcription. We identified heretofore not reported G4s with remarkably low mutation frequency across \>5 million SARS-CoV-2 genomes. The G4 structure was targeted using FDA-approved drugs that can bind G4s - Chlorpromazine (CPZ) and Prochlorperazine (PCZ). We found significant inhibition in lung pathology and lung viral load of SARS-CoV-2 challenged hamsters when treated with CPZ or PCZ that was comparable to the widely used antiviral drug Remdesivir. In support, in vitro G4 binding, inhibition of reverse transcription from RNA isolated from COVID-infected humans, and attenuated viral replication and infectivity in Vero cell cultures were clear in case of both CPZ and PCZ. Apart from the wide accessibility of CPZ/PCZ, targeting relatively invariant nucleic acid structures poses an attractive strategy against viruses like SARS-CoV-2, which spread fast and accumulate mutations quickly.

}, keywords = {Conserved motif, FDA-approved drugs, G-quadruplex binding drugs, hamster model of COVID-19, RNA G-quadruplex}, doi = {10.3389/fmolb.2023.1133123}, author = {Roy, Shuvra Shekhar and Sharma, Shalu and Rizvi, Zaigham Abbas and Sinha, Dipanjali and Gupta, Divya and Rophina, Mercy and Sehgal, Paras and Sadhu, Srikanth and Tripathy, Manas Ranjan and Samal, Sweety and Maiti, Souvik and Scaria, Vinod and Sivasubbu, Sridhar and Awasthi, Amit and Harshan, Krishnan H. and Jain, Sanjeev and Chowdhury, Shantanu} } @article {48446, title = {Genomic determinants of entomopathogenic fungi and their involvement in pathogenesis}, journal = {Microbial Ecology}, volume = {85}, year = {2023}, month = {JAN}, pages = {49-60}, type = {Article}, abstract = {

Entomopathogenic fungi offer an effective and eco-friendly alternative to curb insect populations in biocontrol strategy. The evolutionary history of selected entomopathogenic fungi indicates their ancestral relationship with plant endophytes. During this host shifting, entomopathogenic fungi must have acquired multiple mechanisms, including a combination of various biomolecules that make them distinguishable from other fungi. In this review, we focus on understanding various biochemical and molecular mechanisms involved in entomopathogenesis. In particular, we attempt to explain the indispensable role of enlarged gene families of various virulent factors, viz. chitinases, proteases, lipases, specialized metabolites, and cytochrome P450, in entomopathogenesis. Our analysis suggests that entomopathogenic fungi recruit a different set of gene products during the progression of pathogenesis. Knowledge of these bio-molecular interactions between fungi and insect hosts will allow researchers to execute pointed efforts towards the development of improved entomopathogenic fungal strains.

}, keywords = {Biocontrol, Chitinases, Endophytic fungi, Entomopathogenic fungi, Hydrolytic enzymes, Insect pests}, issn = {0095-3628}, doi = {10.1007/s00248-021-01936-z}, author = {Vidhate, Ravindra P. and Dawkar, Vishal V. and Punekar, Sachin A. and Giri, Ashok P.} } @article {48669, title = {Green, practical \& scalable approach towards the synthesis of valuable α-keto amides using a metal-free catalyst under solvent-free conditions}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {OCT}, pages = {19679-19687}, type = {Article}, abstract = {

alpha-Ketoamides are very important motifs as they are present in many natural products, drugs \& biologically important molecules. We synthesized a very simple, cheap, eco-friendly \& reusable glucose-based carbonaceous material (GCM), which showed high performance as a catalyst in the oxidative cross-dehydrogenative coupling (CDC) reaction of alpha-ketoaldehydes with amines for the synthesis of alpha-ketoamides. The GCM catalyst was also very efficient for one-pot two-step synthesis of alpha-ketoamides from alpha-ketoalcohols as well. The GCM catalyst was able to catalyze alcohol oxidation in alpha-ketoalcohols followed by CDC reaction with amines to form alpha-ketoalcohols. The reactions were found to proceed smoothly at a low temperature of 50 degrees C using a green \& economical metal-free catalyst under base-free, ligand-free \& solvent-free reaction conditions to get the corresponding alpha-ketoamides in good to excellent yields. The results demonstrated that the GCM catalyst showed acidic as well as superior oxidising catalytic activity due to the presence of a carboxylic acid (-COOH) and hydroxyl (-OH)-enriched carbonaceous framework, which enabled the synthesis of important alpha-ketoamide motifs. The applicability of the catalyst was also evaluated for the synthesis of an anti-HIV agent drug molecule. Greener, cheaper \& eco-friendly GCM catalyst as well as catalytic process for synthesis of alpha-Keto Amides.

}, issn = {1144-0546}, doi = {10.1039/d3nj03087c}, author = {Bankar, Shubham R. and Ghadge, Sambhaji S. and Jadhav, Vrushali H.} } @article {48791, title = {H-atom site exchange in an iridium trans-dihydrogen/hydride complex, trans-[Ir(H)(?2-H2)(iPr)4(POCOP)(DMAP)]+}, journal = {Dalton Transactions}, volume = {52}, year = {2023}, month = {OCT }, pages = {13858-13863}, type = {Article}, abstract = {

Treatment of trans-[Ir(H)(N)(2)((iPr)4)(POCOP)(DMAP)][BAr4f] (2) with H-2 (1 bar) under ambient conditions (298 K) results in the formation of a trans-[Ir(H)(?(2)-H-2)((iPr)4)(POCOP)(DMAP)][BAr4f] (3) complex. Complex 3 exhibits H-atom site exchange between the bound H-2 and the hydride ligands which are mutually trans to one another. A plausible mechanism of this exchange involves metal-ligand cooperativity as studied by computations.

}, issn = {1477-9226}, doi = {10.1039/d3dt02366d}, author = {Agrawal, Nisha K. and Gayathridevi, S. and Dash, Soumya R. and Vanka, Kumar and Jagirdar, Balaji R.} } @article {48815, title = {Hierarchical covalent organic framework-foam for multi-enzyme tandem catalysis}, journal = {Chemical Science}, volume = {14}, year = {2023}, month = {JUN }, pages = {6643-6653}, type = {Article}, abstract = {

Covalent organic frameworks (COFs) are ideal host matrices for biomolecule immobilization and biocatalysis due to their high porosity, various functionalities, and structural robustness. However, the porosity of COFs is limited to the micropore dimension, which restricts the immobilization of enzymes with large volumes and obstructs substrate flow during enzyme catalysis. A hierarchical 3D nanostructure possessing micro-, meso-, and macroporosity could be a beneficial host matrix for such enzyme catalysis. In this study, we employed an in situ CO2 gas effervescence technique to induce disordered macropores in the ordered 2D COF nanostructure, synthesizing hierarchical TpAzo COF-foam. The resulting TpAzo foam matrix facilitates the immobilization of multiple enzymes with higher immobilization efficiency (approximately 1.5 to 4-fold) than the COF. The immobilized cellulolytic enzymes, namely beta-glucosidase (BGL), cellobiohydrolase (CBH), and endoglucanase (EG), remain active inside the TpAzo foam. The immobilized BGL exhibited activity in organic solvents and stability at room temperature (25 degrees C). The enzyme-immobilized TpAzo foam exhibited significant activity towards the hydrolysis of p-nitrophenyl-beta-d-glucopyranoside (BGL@TpAzo-foam: K-m and V-max = 23.5 +/- 3.5 mM and 497.7 +/- 28.0 mu M min(-1)) and carboxymethylcellulose (CBH@TpAzo-foam: K-m and V-max = 18.3 +/- 4.0 mg mL(-1) and 85.2 +/- 9.6 mu M min(-1) and EG@TpAzo-foam: K-m and V-max = 13.2 +/- 2.0 mg mL(-1) and 102.2 +/- 7.1 mu M min(-1)). Subsequently, the multi-enzyme immobilized TpAzo foams were utilized to perform a one-pot tandem conversion from carboxymethylcellulose (CMC) to glucose with high recyclability (10 cycles). This work opens up the possibility of synthesizing enzymes immobilized in TpAzo foam for tandem catalysis.

}, issn = {2041-6520}, doi = {10.1039/d3sc01367g}, author = {Paul, Satyadip and Gupta, Mani and Dey, Kaushik and Mahato, Ashok Kumar and Bag, Saikat and Torris, Arun and Gowd, E. Bhoje and Sajid, Hasnain and Addicoat, Matthew A. and Datta, Supratim and Banerjee, Rahul} } @article {48323, title = {Histidinal-based potent antimalarial agents}, journal = {ChemMedChem}, volume = {18}, year = {2023}, month = {MAY }, type = {Article}, abstract = {

Herein we report the synthesis and evaluation of peptide-histidinal conjugated drug scaffolds, which have the potential to target the hemoglobin-degrading proteases falcipain-2/3 from the human malaria parasite. Scaffolds with various substitutions were tested for antimalarial activity, and compounds 8 g, 8 h, and 15 exhibited EC50 values of similar to 0.018 mu M, similar to 0.069 mu M, and similar to 0.02 mu M, respectively. Structure-based docking studies on falcipain-2/3 proteases (PDB:2GHU and PDB:3BWK) revealed that compounds 8 g, 8 h, and 15 interact strongly with binding sites of falcipain-2/3 in a substrate-like manner. In silico ADME studies revealed that the molecules of interest showed no or minimal violations of drug-likeness parameters. Further, phenotypic assays revealed that compound 8 g and its biotinylated version inhibit hemoglobin degradation in the parasite food vacuole. The identification of falcipain-2/3 targeting potent inhibitors of the malaria parasite can serve as a starting point for the development of lead compounds as future antimalarial drug candidates.

}, keywords = {artemisinin, chloroquine, digestive vacuole, docking, falcipains, falciparum, P}, issn = {1860-7179}, doi = {10.1002/cmdc.202200709}, author = {Meena, Chhuttan L. and Hingamire, Tejashri and Gupta, Tanya and Deshmukh, Bhagyashree and Karmodiya, Krishanpal and Joshi, Rakesh and Shanmugam, Dhanasekaran and Sanjayan, Gangadhar J.} } @article {48754, title = {Identification of G-quadruplex structures in MALAT1 lncRNA that interact with nucleolin and nucleophosmin}, journal = {Nucleic Acids Research}, volume = {51}, year = {2023}, month = {SEP}, pages = {9415-9431}, type = {Article}, abstract = {

Nuclear-retained long non-coding RNAs (lncRNAs) including MALAT1 have emerged as critical regulators of many molecular processes including transcription, alternative splicing and chromatin organization. Here, we report the presence of three conserved and thermodynamically stable RNA G-quadruplexes (rG4s) located in the 3 \& PRIME; region of MALAT1. Using rG4 domain-specific RNA pull-down followed by mass spectrometry and RNA immunoprecipitation, we demonstrated that the MALAT1 rG4 structures are specifically bound by two nucleolar proteins, Nucleolin (NCL) and Nucleophosmin (NPM). Using imaging, we found that the MALAT1 rG4s facilitate the localization of both NCL and NPM to nuclear speckles, and specific G-to-A mutations that disrupt the rG4 structures compromised the localization of both NCL and NPM in speckles. In vitro biophysical studies established that a truncated version of NCL (\& UDelta;NCL) binds tightly to all three rG4s. Overall, our study revealed new rG4s within MALAT1, established that they are specifically recognized by NCL and NPM, and showed that disrupting the rG4s abolished localization of these proteins to nuclear speckles

}, issn = {0305-1048}, doi = {10.1093/nar/gkad639}, author = {Ghosh, Arpita and Pandey, Satya Prakash and Joshi, Dheeraj Chandra and Rana, Priya and Ansari, Asgar Hussain and Sundar, Jennifer Seematti and Singh, Praveen and Khan, Yasmeen and Ekka, Mary Krishna and Chakraborty, Debojyoti and Maiti, Souvik} } @article {48761, title = {Identification of new modulator of DNA repairing pathways based on natural product ({\textpm})-peharmaline A}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {91}, year = {2023}, month = {AUG}, pages = {117365}, type = {Article}, abstract = {

The complex heterogenic environment of tumour mass often leads to drug resistance and facilitate chemo insensitivity triggering more malignant phenotypes among cancer patients. Major DNA-damaging cancer drugs have been consistently proven unsuccessful in terms of elevating chemo-resistance. (\& PLUSMN;)-peharmaline A, a hybrid natural product isolated from seeds of Peganum harmala L. possesses significant cytotoxic activities. Herein, we have described the design, and synthesis of a novel library of close and simplified analogues around the anticancer natural product (\& PLUSMN;)-peharmaline A and investigated their cytotoxic activities, which led to the identification of three structurally simplified lead compounds exhibiting better potency than parent natural product. Among them, demethoxy analogue of peharmaline A was further investigated for its anticancer potential eliciting demethoxy analogue as potent DNA-damage inducing agent attenuating the expression of the proteins responsible for the DNA damage repair. Therefore, this demethoxy analogue warrants detailed investigations for the confirmations of the molecular mechanism-based studies responsible for its anticancer activity.

}, keywords = {DNA damage, EMT, Pictet, Spengler reaction, Structure-activity relationship, Total synthesis}, issn = {0968-0896}, doi = {10.1016/j.bmc.2023.117365}, author = {Kulkarni, Akshay S. and Dash, Anshurekha and Shingare, Rahul D. and Chand, Jagdish and Manhas, Diksha and Singh, Aman and Nandi, Utpal and Goswami, Anindya and Reddy, D. Srinivasa} } @article {48680, title = {In silico identification and characterization of the SNPs in the human ASTL gene and their probable role in female infertility}, journal = {Frontiers in Cell and Developmental Biology}, volume = {11}, year = {2023}, month = {JUN}, pages = {1151672}, type = {Article}, abstract = {

Ovastacin (ASTL), a zinc metalloprotease, is released from a fertilized egg during exocytosis of cortical granules which occurs minutes after the sperm and egg fuse. ASTL cleaves ZP2, one of the four primary glycoproteins of human zona pellucida, and this cleavage prevents polyspermy, causes zona pellucida hardening, and also protects the pre-implantation embryo. Any perturbation in the activity of ASTL can thus disturb this process and may lead to infertility without changing the gross morphology of the oocyte. A small amount of ASTL is also released by unfertilized oocytes but its catalytic activity is absent as it is bound by its inhibitor, Fetuin-B (FETUB). Pre-mature release of ASTL when FETUB is absent also causes infertility. To identify and understand the structural and functional effects of deleterious SNPs of ASTL on its interaction with ZP2 and FETUB and hence on fertility, a total of 4,748 SNPs from the dbSNP database were evaluated using a variety of in silico tools. All of the 40 shortlisted nsSNPs were present in the catalytic domain of the protein. Comparison of the wild type with mutants using MutPred2 suggests an alteration in the catalytic activity/zinc binding site in many SNPs. Docking studies show the involvement of hydrophobic interactions and H bonding between ASTL and ZP2 and also between ASTL and FETUB. Four positions in ASTL involved in the hydrophobic interactions (P-105 and D-200 between ASTL and ZP2; D-198 and L-278 etween ASTL and FETUB) and 5 in H bonding (E-75 and R-159 between ASTL and ZP2; and K-93, R-159, and C-281 between ASTL and FETUB) have SNP{\textquoteright}s associated with them validating their importance. Interestingly, a cluster of multiple SNPs was found in the motif (DRD200)-D-198, which is also a well-conserved region among several species. Statistical Coupling Analysis (SCA) suggested that the deleterious SNPs were present in the functionally important amino acid positions of ASTL and are evolutionarily coupled. Thus, these results attempt to identify the regions in ASTL, mutations in which can affect its binding with ZP2 or FETUB and cause female infertility.

}, keywords = {ASTL, female infertility, fertilization, omics, ovastacin, single nucleotide polymorphism}, issn = {2296-634X}, doi = {10.3389/fcell.2023.1151672}, author = {Suri, Kapali and Rajput, Neha and Sharma, Priya and Omble, Aishwarya D. and Kulkarni, Kiran and Gahlay, Gagandeep K.} } @article {48808, title = {Inhibition of amyloid β1-42 peptide aggregation by newly designed cyclometallated palladium complexes}, journal = {International Journal of Biological Macromolecules}, volume = {248}, year = {2023}, month = {SEP }, pages = {125847}, type = {Article}, abstract = {

Uncontrolled amyloid aggregation is a frequent cause of neurodegenerative disorders such as prions and Alzheimer{\textquoteright}s disease (AD). As a result, many drug development approaches focus on evaluating novel molecules that can alter self-recognition pathways. Herein, we designed and synthesized the cyclometallated pyrene (Pd-1 and Pd-3) and anthracene (Pd-2) based palladium complexes ([Pd((L-1)Cl] Pd-1, [Pd(L-2)Cl](Pd-2), and [Pd(L-3)Cl] (Pd-3)). This study explores the effect of these complexes on the aggregation, fibrillation, and amyloid formation of bovine serum albumin (BSA) and A beta(1-42) peptide. Several spectroscopic methods were used to characterize all the Pd-complexes, and the molecular structure of Pd -3 was determined by X-ray crystallography. The secondary structures were studied using circular dichroism (CD) and transmission electron microscopy (TEM), while am-yloid aggregation and inhibitory activities were investigated using the Thioflavin-T (ThT) fluorescence assay. Molecular docking of the Pd-complex (Pd-3) was done using fibril (PDB: 2BEG) and monomeric (PDB: 1IYT) peptides using Auto-dock Vina. As a result, the hydrogen bonding and hydrophobic interaction between the aromatic rings of the Pd-complexes and the amino acids of amyloid-beta peptides significantly reduced the pro-duction of ordered beta-sheets of amyloid fibrils and protein aggregation in the presence of Pd-2 and Pd-3 complexes.

}, keywords = {A beta(1-42) peptide, Aggregation and molecular docking, Palladium complex}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2023.125847}, author = {Saini, Rahul and Navale, Govinda R. and Singh, Sain and Singh, Haobam Kisan and Chauhan, Rahul and Agrawal, Sonia and Sarkar, Dhiman and Sarma, Manabendra and Ghosh, Kaushik} } @article {48315, title = {Interactive study of Au-20 nanocluster and methyl substituted amide linked tyrosine/tryptophan to develop representative model for studying protein-nanoparticle interaction}, journal = {Journal of Molecular Structure}, volume = {1272}, year = {2023}, month = {JAN}, pages = {134177}, type = {Article}, abstract = {

Investigations on UV-vis, steady-state fluorescence and synchronous fluorescence properties of human hemoglobin (HHb) reveals greater spectral shifts in peaks arising due to alterations in microenvironment of Tyr-compared to Trp-during interactions with gold nanoparticle (GNP). Besides, interactions of Au-20 nanocluster with modified Tyr/Trp (possessing methyl substituted amide bonds) by quantum chemical calculations demonstrate significant role of amide bonds and the spectral shift, binding energy and alteration in bond distances appear to be higher for modified Tyr-compared to modified Trp. Moreover, close resemblance of frequency shift of modified Tyr/Trp-in presence of Au 20 is observed with respect to the experimental FT-IR study of HHb upon interaction with GNP, suggesting participation of amide bonds in both cases. Furthermore, CD DFT calculations using optimized helical stretch of HHbin presence of Au-20 and experimental CD results of HHb in presence of GNP further indicate participation amide bonds and biocompatibility of GNP. Apparently, the theoretical and experimental interactions are going in good agreement with each other. Overall, the study of interactions of modified Tyr/Trp-as representative models of protein microenvironment and Au-20 nanocluster as prototype of GNP to develop models for exploring protein nanoparticle interactions has been highlighted. (C) 2022 Elsevier B.V. All rights reserved.

}, keywords = {amide bonds, Au-20 nanocluster, Gold nanoparticle, Human hemoglobin, Modified Tyr/Trp}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2022.134177}, author = {Sen Banerjee, Nineesha and Ghosh, Deborin and Mitra, Ishani and Paul, Somnath and Show, Bibhutibhushan and Ganguly, Tapan and Chakraborty, Madhurima} } @article {48285, title = {Late-stage C(sp(2))-H arylation of artemisinic acid and arteannuin B: effect of olefin migration towards synthesis of C-13 arylated artemisinin derivatives}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {APR }, type = {Article}, abstract = {

In recent years, C-H bond functionalization has emerged as a pivotal tool for late-stage functionalization of complex natural products for the synthesis of potent biologically active derivatives. Artemisinin and its C-12 functionalized semi-synthetic derivatives are well-known clinically used anti-malarial drugs due to the presence of the essential 1,2,4-trioxane pharmacophore. However, in the wake of parasite developing resistance against artemisinin-based drugs, we conceptualized the synthesis of C-13 functionalized artemisinin derivatives as new antimalarials. In this regard, we envisaged that artemisinic acid could be a suitable precursor for the synthesis of C-13 functionalized artemisinin derivatives. Herein, we report C-13 arylation of artemisinic acid, a sesquiterpene acid and our attempts towards synthesis of C-13 arylated artemisinin derivatives. However, all our efforts resulted in the formation of a novel ring-contracted rearranged product. Additionally, we have extended our developed protocol for C-13 arylation of arteannuin B, a sesquiterpene lactone epoxide considered to be the biogenetic precursor of artemisinic acid. Indeed, the synthesis of C-13 arylated arteannuin B renders our developed protocol to be effective in sesquiterpene lactone as well.

}, keywords = {Arteannuin B, Artemisinic acid, artemisinin, C-H functionalization, Pd-catalysis}, issn = {1861-4728}, doi = {10.1002/asia.202300162}, author = {Paul, Sayantan and Ghodake, Balaji M. M. and Bhattacharya, Asish K. K.} } @article {48770, title = {Metal-free isoamyl nitrite mediated efficient synthesis of 1,2,4-oxadiazoles}, journal = {Tetrahedron Letters}, volume = {125}, year = {2023}, month = {JUL}, pages = {154616}, type = {Article}, abstract = {

We report herein, a metal-free isoamyl nitrite mediated efficient synthesis of 1,2,4-oxadiazoles by one pot cycloaddition reaction of aldoximes with nitriles. The structure of the 1,2,4-oxadiazole derivatives was confirmed by studies of spectral analysis. Current methodology provides a novel pathway to access 1,2,4-oxadiazole derivatives.\& COPY; 2023 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2, 4-Oxadiazole, Aldoxime, Cycloaddition, Isoamyl nitrite}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2023.154616}, author = {Galave, Sharad A. and Kadam, Kishorkumar S. and Sonawane, Amol D. and Pansare, Vaibhav R. and Garud, Dinesh R.} } @article {48765, title = {MnXWO4 nanostructure-based catalysts for single-step oxidation of cyclohexane and methane to oxygenates}, journal = {ACS Applied Nano Materials}, volume = {6}, year = {2023}, month = {APR}, pages = {7245-7258}, type = {Article}, abstract = {

Activation of the C-H bond in cyclohexane (CYH) and methane is a crucial step to obtain desirable oxygenated products using nanostructured catalyst and is a great challenge and an efficient route to mitigate the inauspicious effects of climate change. The active sites were identified using XRD, HR-TEM, SEM, N2 sorption analysis, TPR, Raman, XPS, TGA, in situ DRIFT, XAS, etc. In optimal reaction conditions, 46\% of CYH was converted into adipic acid (AA) on MnxWO4 nanostructures within 6 h. The recyclability test confirmed the catalyst heterogeneity, which revealed no appreciable loss of catalytic activity even after three consecutive reactions. In situ DRIFT study reveals that CYH is oxidized to cyclohexanone and cyclohexanol (KA oil) and is further oxidized to AA via carboxylate intermediates. DFT studies disclosed that MnOx species are responsible for the C-H activation of CYH, and the Mn2+/Mn3+ redox centers play a vital role in the absorption of KA oil to form AA. Herein, we demonstrated the significant role of the {\textquoteleft}{\textquoteleft}MnOx{\textquoteright}{\textquoteright} species and that adequate Lewis and Bronsted acidic sites, redox centers of (Mn2+/Mn3+), and lattice oxygen are accountable for the CYH conversion toward the AA. Additionally, we have reported the oxidation of methane to methanol (146 mu mole per gram of catalyst) in the presence of water at 75 degrees C without over-oxidation products.

}, keywords = {Adipic Acid, C-H bond activation, Cyclohexane oxidation, methane activation, MnOx chain, Redox center}, doi = {10.1021/acsanm.3c00319}, author = {Prabu, Marimuthu and Manikandan, Marimuthu and Samal, Pragnya Paramita and Gurrala, Lakshmi Prasad and Mekala, Siva Prasad and Archana, Ramakrishnan and Nayak, Chandrani and Bhattacharyya, D. and Jha, S. N. and Krishnamurty, Sailaja and Raja, Thirumalaiswamy} } @article {48778, title = {Morphology-dependent catalysis by Co3O4 nanostructures in atmospheric pressure carbon dioxide hydrogenation}, journal = {Journal of Physical Chemistry C}, volume = {127}, year = {2023}, month = {JUL}, pages = {13055-13064}, type = {Article}, abstract = {

In this work, three Co3O4 nanostructureswith different morphologies (cubes, rods, and sheets) were synthesizedusing a hydrothermal method and tested for the CO2 hydrogenationreaction. The physicochemical properties of the structured Co3O4 were well characterized by X-ray diffraction(XRD), Raman spectroscopy, field-emission scanning electron microscopy(FESEM), transmission electron microscopy (TEM), high-resolution transmissionelectron microscopy (HRTEM), hydrogen temperature-programmed reduction(H-2-TPR), and X-ray photoelectron spectroscopy (XPS) techniques.Based on the characterization, cube, rod, and sheet Co3O4 nanostructures were found to expose the (100), (110),and (112) planes, respectively. The effect of cobalt oxide morphologieswith different exposed surfaces on the activity and selectivity towardCO(2) hydrogenation reaction in a plug-flow reactor operatedbetween 200 and 400 \& DEG;C under atmospheric pressure conditionswas explored. The results establish a correlation of the catalyticactivity with morphological structures in the order rods \> sheets\> cubes. H-2-TPR and XPS studies demonstrated that thehighreducibility of Co3O4 rod makes it an excellentcatalyst for CO2 hydrogenation.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.3c02857}, author = {Gupta, Sharad and Jain, Preeti and Jagadeesan, Dinesh and Vinod, C. P.} } @article {48272, title = {Nanostructured Co-doped BiVO4 for efficient and sustainable photoelectrochemical chlorine evolution from simulated sea-water}, journal = {Dalton Transactions}, volume = {52}, year = {2023}, month = {FEB}, pages = {2051-2061}, type = {Article}, abstract = {

The co-production of hydrogen and chlorine from sea-water splitting could be a potential, sustainable and attractive route by any method. However, challenges to overcome are many, and critically, the sustainability and operating potential of the electrocatalyst are important. In this work, we report on Co-doping in the BiVO4 (Co-BV) crystal lattice and employed the same as the photoanode; Co-BV exhibits a photocurrent of 190 mu A cm(-2) at 1.1 V vs. RHE (the reversible hydrogen electrode) in the acidic sodium chloride solution (pH 2.3) under one sun illumination. The best-performing photoanode, with 0.05 mol\% of Co doping (0.05 Co-BV), selectively produced active chlorine with 92\% faradaic efficiency at 1.1 V vs. RHE by successfully suppressing the kinetically sluggish oxygen evolution reaction (OER) and the stability of the catalyst was demonstrated for up to 20 h. This is the lowest operating potential reported for the chlorine evolution reaction (CER), thus far. The overpotential required for CER with 0.05 Co-BV is lower than that of OER, which leads to selective CER at 1.1 V (vs. RHE). Co-doping into the BiVO4 lattice decreases the charge transfer resistance and enhances the CER kinetics due to its structural and electronic integration with the BV lattice. We demonstrate that Co-doping also improves the lifetime of the charge carrier and enhances the current density of CER and sustainability of the catalyst.

}, issn = {1477-9226}, doi = {10.1039/d2dt03369k}, author = {Chauhan, Inderjeet and Patra, Kshirodra Kumar and Bajpai, Himanshu and Mhamane, Nitin B. and Salgaonkar, Kranti N. and Gopinath, Chinnakonda S.} } @article {48760, title = {NHC-catalyzed enantioselective synthesis of tetracyclic δ-lactones by (4+2) annulation of ortho-quinodimethanes with activated ketones}, journal = {Organic Letters}, volume = {25}, year = {2023}, month = {OCT }, pages = {7852-7857}, type = {Article}, abstract = {

The N-heterocyclic carbene (NHC)-catalyzed generation of ortho-quinodimethanes (o-QDMs) from 9H-fluorene-1-carbaldehydes followed by the interception with activated ketones resulting in the enantioselective synthesis of tetracyclic delta-lactones is presented. High diastereoselectivity of products, remote C-(sp(3))-H functionalization, broad substrate scope, and mild reaction conditions are the notable features of the present (4 + 2) annulation.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.3c03076}, author = {Sarkar, Deeptanu and Barik, Shilpa and Shee, Sayan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48752, title = {N-heterocyclic carbene-catalyzed atroposelective synthesis of N-N axially chiral 3-amino quinazolinones}, journal = {ACS Catalysis}, volume = {13}, year = {2023}, month = {JUN }, pages = {8752-8759}, type = {Article}, abstract = {

Although the atroposelective synthesisof biaryls and related compoundsbearing axially chiral C-C bonds is well-known, the synthesisof axially chiral C-N bond-containing compounds is relativelyless explored, and the construction of axially chiral N-N bondshas received only scant attention. Demonstrated herein is the N-heterocycliccarbene (NHC)-catalyzed selective amidation reaction, leading to theatroposelective synthesis of N-N axially chiral 3-amino quinazolinones.The NHC-catalyzed reaction of quinazolinones containing a free N-Hmoiety with \& alpha;,\& beta;-unsaturated aldehydes under oxidativeconditions furnished the atropisomeric quinazolinone derivatives undermild conditions and broad scope. Preliminary studies on experimentaland density functional theory-based N-N rotational barrierdetermination are also presented.

}, keywords = {amino quinazolinones, asymmetriccatalysis, axial chirality, N-heterocycliccarbenes, organocatalysis}, issn = {2155-5435}, doi = {10.1021/acscatal.3c01709}, author = {Balanna, Kuruva and Barik, Soumen and Barik, Shilpa and Shee, Sayan and Manoj, Niket and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48451, title = {Oligothiophene-ring-strapped perylene bisimides: functionalizable coaxial donor-acceptor macrocycles}, journal = {Angewandte Chemie-International Edition}, volume = {62}, year = {2023}, month = {JAN}, type = {Article}, abstract = {

Aesthetic designs from nature enable new knowledge to be gained and, at the same time, inspire scientific models. In this context, multicomponent macrocycles embody the advantage of precisely positioning the structural units to achieve efficient communication between them. However, the construction of a functionalizable macrocycle for ultrafast charge separation and stabilization has not been attempted. Herein, we report the synthesis, crystal structure, and transient absorption of a new functionalizable macrocycle consisting of an oligothiophene-ring-strapped perylene bisimide. Transient absorption results point to a sequential improvement in charge separation and stabilization from the macrocycle to the corresponding linear dimer and 2D polymer due to the unique design. Our macrocycle design with a supportive spatial arrangement of the donor and acceptor units will inspire the development of more complex synthetic systems with exciting electron-transfer and charge-separation features.

}, keywords = {Charge Separation, Donor-Acceptor Systems, Electron Transfer, Macrocycles, Perylene Bisimides}, issn = {1433-7851}, doi = {10.1002/anie.202212934}, author = {Dnyaneshwar Veer, Sairam and Chandrakant Wakchaure, Vivek and Asokan, Kiran and Dixit, Ruchi and Goswami, Tanmay and Saha, Ramchandra and Gonnade, Rajesh and Ghosh, Hirendra N. and Santhosh Babu, Sukumaran} } @article {48681, title = {Organocatalysed one-pot three component synthesis of 3,3'-disubstituted oxindoles featuring an all-carbon quaternary center and [spiro 2H-pyran-3,4'-indoline]}, journal = {RSC Advances}, volume = {13}, year = {2023}, month = {APR}, pages = {13206-13212}, type = {Article}, abstract = {

A simple and efficient methodology for the one-pot synthesis of 3,3 {\textquoteleft}-disubstituted oxindoles featuring an all-carbon quaternary center has been demonstrated through l-proline catalysed three-component reaction based on sequential Knoevenagel condensation/Michael addition and also one-pot synthesis of spiro[2H-pyran-3,4 {\textquoteleft}-indoline] through consecutive Knoevenagel condensation/Michael addition/reduction/cyclization reactions from readily available isatin derivatives, malononitrile, and ketones. The present methodology presents several advantages, including simple reaction set-up, short reaction times, and easy to work-up. Also, this strategy offers broad substrate scope with excellent yields and high atom economy, under mild reaction conditions.

}, doi = {10.1039/d3ra00510k}, author = {Nichinde, Chandrakant B. and Patil, Baliram R. and Chaudhari, Suryakant S. and Mali, Bhupendra P. and Gonnade, Rajesh G. and Kinage, Anil K.} } @article {48270, title = {Palladium-catalyzed chemoselective oxygenation of C(sp2)-H and C(sp3)-H bonds in isatins}, journal = {Organic Letters}, volume = {25}, year = {2023}, month = {MAR}, pages = {1862-1867}, type = {Article}, abstract = {

The palladium-catalyzed chemoselective C(sp2)-H and C(sp3)-H bond oxygenation of substituted isatin derivatives is reported. This mild protocol exhibits the C5 C(sp2)-H oxygenation of isatins through electrophilic intermolecular C-H palladation in concentrated solutions using PhI(OAc)2 or Selectfluor as an oxidant, whereas it exhibits- N-CH3 C(sp3)-H oxygenation in dilute solutions via carbonyl-assisted intramolecular palladation in the presence of K2S2O8. This oxygenation reaction provides a direct and unified approach for synthesizing diverse oxygenated isatins with sensitive functionalities, including biorelevant compounds.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.3c00342}, author = {Vijaykumar, Muniyappa and Pradhan, Chandini and Gonnade, Rajesh G. and Punji, Benudhar} } @article {48460, title = {Palladium-catalyzed oxidative cyclization of ?-allenols in the presence of TBN: access to 3(2H)-furanones}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {APR}, pages = {4112-4122}, type = {Article}, abstract = {

A new palladium-catalyzed oxidative cyclization of alpha-allenols is described. The readily accessible alpha-allenols participate in intra-molecular oxidative cyclization in the presence of TBN to grant access to multisubstituted 3(2H)-furanones, which are common motifs in several biologically important natural products and pharmaceuticals.

}, keywords = {Alternatively, conditions, cumbersome workup, intramolecular electrophilic, multiple reaction steps, noted examples}, issn = {0022-3263}, doi = {10.1021/acs.joc.2c024574112}, author = {Ghotekar, Ganesh S. and Shinde, Ravi A. and Saswade, Sagar S. and Muthukrishnan, M.} } @article {48671, title = {Palladium-catalyzed polar solvent empowered synthesis of hyper-branched ethylene oligomers and their applications}, journal = {Polymer Chemistry}, volume = {14}, year = {2023}, month = {JUL}, pages = {3239-3251}, type = {Article}, abstract = {

In this contribution, we report the synthesis of two naphthoxy imine ligands, 2-(((2,6-dibenzhydryl-4-methoxyphenyl)imino)methyl)naphthalen-1-ol (L1) and 2-(((2,6-diisopropylphenyl)imino)methyl)naphthalen-1-ol (L2), with different steric and electronic features. L1 and L2 were treated with [(TMEDA)PdMe2] to obtain the corresponding neutral palladium(ii) complexes Cat.1 and Cat.2 in excellent yields. The identity of Cat.1 and Cat.2 was unambiguously ascertained using a combination of spectroscopic and analytical methods, including single-crystal X-ray diffraction. When exposed to 5 bar ethylene pressure, Cat.1 produced hyperbranched ethylene oligomers. The microstructure analysis of ethylene oligomers confirmed the existence of methyl, ethyl, propyl, and sec-butyl branches, with a molecular weight (M-n) of 500-1400 g mol(-1), a PDI of 1.46-2.10, and 67-106 branches per 1000 carbon atoms. The use of a polar solvent, tetrahydrofuran, led to a remarkable 3-fold increase in oligomerization activity without compromising the branching and molecular weight. The resultant hyperbranched ethylene oligomers were selectively monofunctionalized using industrially practiced hydroformylation, ozonolysis, and epoxidation, almost quantitatively. The hydroxy functionalized ethylene oligomer (F4) (5 wt\%) was melt-compounded with LLDPE and Nylon-6 to produce a tough yet flexible blend with a higher strain-to-failure as compared to an uncompatibilized blend.

}, issn = {1759-9954}, doi = {10.1039/d3py00311f}, author = {Birajdar, Rajkumar S. and Gonnade, Rajesh G. and Pol, Harshawardhan V. and Prabhu, M. Basava and Rokade, Dhammaraj and Nandimath, Sheetal and Chikkali, Samir H.} } @article {48308, title = {Pd loaded bismuth ferrite: a versatile perovskite for dual applications as acetone gas sensor and photocatalytic dye degradation of malachite green}, journal = {Ceramics International}, volume = {49}, year = {2023}, month = {FEB}, pages = {5738-5747}, type = {Article}, abstract = {

Herein we report the palladium loaded bismuth ferrite for its bidirectional application as acetone gas sensor and photocatalytic dye degradation of malachite green. The motivation for loading Pd on bismuth ferrite (BFO) is due to its fascinating catalytic redox reactions causing faster adsorption and desorption of the oxygen molecules over the metal oxide. The planned perovskites were developed via surfactant assisted sol-gel auto-combustion route, and characterized their physico-chemical properties using XRD, SEM, TEM, HRTEM, EDAX, XPS and BET. The developed BFO showed the best selectivity towards acetone, whose response was 69\% at 300 degrees C operating temperature for 500 ppm gas concentration. By tuning the surface area and catalytic behavior using CTAB and Pd loading, respectively, the enhancement in the gas response properties of BFO was achieved to 95\% with the response and recovery time of 75 s and 104 s. The 1 wt\% Pd loaded BFO showed the highest response (95\%) in comparison to rest of the Pd loadings (0.5, 1.5 and 2.0 wt\%). Moreover, the sunlight driven photocatalytic dye degradation of malachite green is carried out at 1 h exposure time. Here as well, 1 wt\% Pd loaded BFO exhibited the maximum dye degradation efficiency of 51\%. The results of this study demonstrate the developed perovskites have a significant potential for the use in dual applications such as acetone gas sensor and MG photocatalysis.

}, keywords = {Acetone sensor, Bismuth ferrite, Palladium loading, Photo dye -degradation}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2022.10.153}, author = {Ghadage, Pandurang and Kodam, Pavan and Nadargi, Digambar and Patil, Suraj and Tamboli, Mohaseen and Bhandari, Nagesh and Mulla, Imtiaz and Park, Chinho and Suryavanshi, Sharad} } @article {48469, title = {Photocatalytic setup for in situ and operando ambient-pressure X-ray photoelectron spectroscopy at MAX IV Laboratory}, journal = {Journal of Synchrotron Radiation}, volume = {30}, year = {2023}, month = {MAY}, pages = {613-619}, type = {Article}, abstract = {

The Ambient-Pressure X-ray Photoelectron Spectroscopy (APXPS) endstation at the SPECIES beamline at MAX IV Laboratory has been improved. The latest upgrades help in performing photo-assisted experiments under operando conditions in the mbar pressure range using gas and vapour mixtures whilst also reducing beam damage to the sample caused by X-ray irradiation. This article reports on endstation upgrades for APXPS and examples of scientific cases of in situ photocatalysis, photoreduction and photo-assisted atomic layer deposition (photo-ALD).

}, keywords = {APXPS, photo-ALD, Photocatalysis, solar simulator}, issn = {0909-0495}, doi = {10.1107/S1600577523002801}, author = {Klyushin, Alexander and Ghosalya, Manoj and Kokkonen, Esko and Eads, Calley and Jones, Rosemary and Nalajala, Naresh and Gopinath, Chinnakonda S. and Urpelainen, Samuli} } @article {48744, title = {Physiologically-based pharmacokinetic model for tuberculosis drug disposition at extrapulmonary sites}, journal = {CPT-Pharmacometrics \& Systems Pharmacology}, volume = {12}, year = {2023}, month = {SEP}, pages = {1274-1284}, type = {Article}, abstract = {

Tuberculosis (TB) is a leading cause of mortality attributed to an infectious agent. TB primarily targets the lungs, but in about 16\% cases can affect other organs as well, giving rise to extrapulmonary TB (EPTB). However, an optimal regimen for EPTB treatment is not defined. Although the recommended treatment for most forms of EPTB is the same as pulmonary TB, the pharmacokinetics of EPTB therapy are not as well studied. To address this gap, we formulate a whole-body physiologically-based pharmacokinetic (PBPK) model for EPTB that for the first time includes the ability to simulate drug concentrations in the pleura and lymph node, the most commonly affected sites of EPTB. Using this model, we estimate the time-dependent concentrations, at potential EPTB infection sites, of the following four first-line anti-TB drugs: rifampicin, ethambutol, isoniazid, and pyrazinamide. We use reported plasma concentration kinetics data to estimate model parameters for each drug and validate our model using reported concentration data not used for model formulation or parameter estimation. Model predictions match the validation data, and reported pharmacokinetic parameters (maximum plasma concentration, time to reach maximum concentration) for the drugs. The model also predicts ethambutol, isoniazid, and pyrazinamide concentrations in the pleura that match reported experimental values from an independent study. For each drug, the predicted drug concentrations at EPTB sites are compared with their critical concentration. Simulations suggest that although rifampicin and isoniazid concentrations are greater than critical concentration values at most EPTB sites, the concentrations of ethambutol and pyrazinamide are lower than their critical concentrations at most EPTB sites.

}, issn = {2163-8306}, doi = {10.1002/psp4.13008}, author = {Ramachandran, Aparna and Gadgil, Chetan J.} } @article {48479, title = {Polymorph II of hydroxyurea 150 years after its first synthesis}, journal = {Crystengcomm}, volume = {25}, year = {2023}, month = {MAY}, pages = {2712-2716}, type = {Article}, abstract = {

A new polymorph of hydroxyurea (HU) was crystallized 150 years after its first synthesis. Due to its medicinal use in neoplastic diseases and sickle cell anemia, a high throughput screen of HU binary cocrystals was attempted. Instead of a cocrystal, an isoenergetic form II crystallized concomitantly with urea in methanol.

}, doi = {10.1039/d3ce00163f}, author = {Rai, Sunil K. and Tothadi, Srinu and Arhangelskis, Mihails and George, Christy P. and Gonnade, Rajesh G. and Nangia, Ashwini K.} } @article {48800, title = {Possible handle for broadening the catalysis regime towards low temperatures: proof of concept and mechanistic studies with CO oxidation on surface modified Pd-TiO2}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {AUG }, pages = {22040-22054}, type = {Article}, abstract = {

The present work demonstrates the effect of temperature-dependent surface modification (SM) treatment and its influence in broadening the catalysis regime with Pd-TiO2 catalysts prepared by various methods. Due to SM induced changes, a shift in the onset of CO oxidation activity as well as broadening of the oxidation catalysis regime by 30 to 65 K to lower temperatures is observed compared to the temperature required for virgin counterparts. SM carried out at 523 K for Pd-Photo-TiO2 exhibits the lowest onset (10\% CO2 production - T-10) and T-100 for CO oxidation at 360 and 392 K, respectively, while its virgin counterpart shows T-10 and T-100 at 393 and 433 K, respectively. The SMd Pd-TiO2 catalysts were investigated using X-ray photoelectron spectroscopy (XPS), ultra-violet photoelectron spectroscopy (UPS) and atomic force microscopy (AFM). It is observed that diffusion of atomic oxygen into Pd-subsurfaces leads to SM and changes the nature of the surface significantly. These changes are demonstrated by work function (\& phi;), surface potential, catalytic activity, and correlation among them. UPS results demonstrate the maximum increase in \& phi; by 0.5 eV for Pd-Photo-TiO2 after SM, compared to all other catalysts. XPS study shows a moderate to severe change in the oxidation states of Pd due to atomic oxygen diffusion into the subsurface layers of Pd. Kelvin probe force microscopy (KPFM) study also reveals corroborating evidence that the surface potential increases linearly with increasing temperature deployed for SM up to 523 K, followed by a marginal decrease at 573 K. The \& phi; measured by KPFM and UPS shows a similar trend and correlates well with the changes in catalysis observed. Our results indicate that there is a strong correlation between surface physical and chemical properties, and \& phi; changes could be considered as a global marker for chemical reactivity.

}, issn = {1463-9076}, doi = {10.1039/d3cp01122d}, author = {Mhamane, Nitin B. B. and Panchal, Suresh and Kolekar, Sadhu K. K. and Ranjan, Ravi and Salgaonkar, Kranti N. N. and Burange, Anand S. S. and Nalajala, Naresh and Datar, Suwarna and Gopinath, Chinnakonda S. S.} } @article {48792, title = {Potential of Y. lipolytica epoxide hydrolase for efficient production of enantiopure (R)-1,2-octanediol}, journal = {AMB Express}, volume = {13}, year = {2023}, month = {JUL }, pages = {77}, type = {Article}, abstract = {

The recombinant Yleh from a tropical marine yeast Yarrowia lipolytica NCIM 3589 exhibited a high epoxide hydrolase activity of 9.34 +/- 1.80 mu mol min(-1) mg(-1) protein towards 1,2-epoxyoctane (EO), at pH 8.0 and 30 degrees C. The reaction product was identified as 1,2-Octanediol (OD) by GC-MS using EO and H2O18 as substrate, affirming the functionality of Yleh as an epoxide hydrolase. For EO, the K-m, V-max, and k(cat)/K-m values were 0.43 +/- 0.017 mM, 0.042 +/- 0.003 mM min(-1), and 467.17 +/- 39.43 mM(-1) min(-1), respectively. To optimize the reaction conditions for conversion of racemic EO by Yleh catalyst to enantiopure (R)-1,2-octanediol, initially, Response Surface Methodology was employed. Under optimized reaction conditions of 15 mM EO, 150 mu g purified Yleh at 30 degrees C a maximal diol production of 7.11 mM was attained in a short span of 65 min with a yield of 47.4\%. Green technology using deep eutectic solvents for the hydrophobic substrate (EO) were tested as co-solvents in Yleh catalyzed EO hydrolysis. Choline chloride-Glycerol, produced 9.08 mM OD with an increased OD yield of 60.5\%. Thus, results showed that deep eutectic solvents could be a promising solvent for Yleh-catalyzed reactions making Yleh a potential biocatalyst for the biosynthesis of enantiopure synthons. [GRAPHICS] .

}, keywords = {Deep Eutectic solvents, Optimization, Recombinant epoxide hydrolase, Response surface methodology, Yarrowia lipolytica}, issn = {2191-0855}, doi = {10.1186/s13568-023-01584-1}, author = {Godase, Vijaya P. P. and Kumar, V. Ravi and Kumar, Ameeta Ravi} } @article {48470, title = {Potential role of lewis acid-base adducts in enhancing stereoselectivity in ziegler-natta catalysts: a DFT study}, journal = {Journal of Physical Chemistry C}, volume = {127}, year = {2023}, month = {APR}, pages = {7220-7229}, type = {Article}, abstract = {

Ziegler-Natta (Z-N) systems have been well established as heterogeneous catalysts that produce isotactic polypropylene and polyethylene with great efficiency. Such systems benefit considerably from donors (Lewis bases), whose addition significantly improves the stereoselectivity of polymerization. There is a consensus that the primary role of the external donors is to coordinate at the vacant site created by the extraction of internal donors and thus maintain the stereoselectivity. However, the bite difference between internal donors such as phthalates or succinate derivatives and external donors such as alkoxysilanes raises the question of how external donors can effectively replace internal donors. In order to investigate this, we have chosen four external alkoxysilane donors: (1) diisopropyl dimethoxysilane, (2) dicyclopentyl dimethoxysilane, (3) disec-butyl dimethoxysilane, and (4) sec-butyl(methyl) dimethoxysilane. DFT studies reveal that the bite difference problem can be overcome by the favorable formation of adducts between the alkoxysilane external donors and AlEt2Cl in the Z-N systems. These adducts tend to coordinate in the vicinity of the active site. Furthermore, our findings demonstrate the potential of these Lewis acid-base adducts to enhance the stereoselectivity of Z-N catalysts significantly.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.3c00814}, author = {Raj, K. Vipin and Gupta, Virendra Kumar and Vanka, Kumar} } @article {48718, title = {Rapid bioinspired N-acyliminium ion strategy for the ABC core of the stemona alkaloids}, journal = {Asian Journal of Organic Chemistry}, volume = {12}, year = {2023}, month = {SEP}, type = {Article}, abstract = {

A concise and highly diastereoselective bioinspired key cationic cyclization strategy for the asymmetric synthesis of the tricyclic core of the (-)-stemoamide, together with 8,9-bis-epi-stemoamide has been described. The key N-acyliminium ion precursors were accessed from L-tartaric acid and L-malic acid respectively. The use of ethyl acetoacetate derived bifunctional allylidenetriphenylphosphorane reagent in the early stage of the synthetic strategy is advantageous for the rapid construction of highly functionalized key pyrrolo[1,2-\& alpha;]azepine frameworks.

}, keywords = {alkaloids, Biomimetic synthesis, Claisen rearrangement, cyclization, Regioselectivity}, issn = {2193-5807}, doi = {10.1002/ajoc.202300331}, author = {Chavan, Subhash P. and Kalbhor, Dinesh B. and Gonnade, Rajesh G.} } @article {48814, title = {Response of cardiac pulse parameters in humans at various inclinations via 360{\textdegree} rotating platform for simulated microgravity perspective}, journal = {NPJ Microgravity}, volume = {9}, year = {2023}, month = {JUL}, pages = {54}, type = {Article}, abstract = {

On the Earth, the human body is designed and adapted to function under uniform gravitational acceleration. However, exposure to microgravity or weightlessness as experienced by astronauts in space causes significant alterations in the functioning of the human cardiovascular system. Due to limitations in using real microgravity platforms, researchers opted for various ground-based microgravity analogs including head-down tilt (HDT) at fixed inclination. However, in the present study, an investigation of response of various cardiac parameters and their circulatory adaptation in 18 healthy male subjects was undertaken by using an indigenously developed 360 \& DEG; rotating platform. Cardiac pulse was recorded from 0 \& DEG; to 360 \& DEG; in steps of 30 \& DEG; inclination using piezoelectric pulse sensor (MLT1010) and associated cardiac parameters were analyzed. The results showed significant changes in the pulse shape while an interesting oscillating pattern was observed in associated cardiac parameters when rotated from 0 \& DEG; to 360 \& DEG;. The response of cardiac parameters became normal after returning to supine posture indicating the ability of the cardiovascular system to reversibly adapt to the postural changes. The observed changes in cardiac parameters at an inclination of 270 \& DEG;, in particular, were found to be comparable with spaceflight studies. Based on the obtained results and the proposed extended version of fluid redistribution mechanism, we herewith hypothesize that the rotation of a subject to head down tilt inclination (270 \& DEG;) along with other inclinations could represent a better microgravity analog for understanding the cumulative cardiac response of astronauts in space, particularly for short duration space missions.

}, doi = {10.1038/s41526-023-00301-3}, author = {Jagtap, Sagar and Kumar, Ajay and Mahale, Bhoopesh and Dixit, Jyotsana and Kalange, Ashok E. and Kanawade, Rajesh and Gangal, Shashikala and Vidyasagar, Pandit} } @article {48438, title = {Review on electrospun nanofibers for multiple biomedical applications}, journal = {Polymers for Advanced Technologies}, volume = {34}, year = {2023}, month = {JAN}, pages = {44-63}, type = {Review}, abstract = {

Electrospinning is a well-known technique since 1544 to fabricate nanofibers using different materials like polymers, metals oxides, proteins, and many more. In recent years, electrospinning has become the most popular technique for manufacturing nanofibers due to its ease of use and economic viability. Nanofibers have remarkable properties like high surface-to-volume ratio, variable pore size distribution (10-100 nm), high porosity, low density, and are suitable for surface functionalization. Therefore, electrospun nanofibers have been utilized for numerous applications in the pharmaceutical and biomedical field like tissue engineering, scaffolds, grafts, drug delivery, and so on. In this review article, we will be focusing on the versatility, current scenario, and future endeavors of electrospun nanofibers for various biomedical applications. This review discusses the properties of nanofibers, the background of the electrospinning technique, and its emergence in chronological order. It also covers the various types of electrospinning methods and their mechanism, further elaborating the factors affecting the properties of nanofibers, and applications in tissue engineering, drug delivery, nanofibers as biosensor, skin cancer treatment, and magnetic nanofibers.

}, keywords = {biomaterial, drug delivery, electrospinning, Nanofiber, tissue engineering}, issn = {1042-7147}, doi = {10.1002/pat.5896}, author = {Patel, Pratikshkumar R. and Gundloori, Rathna Venkata Naga} } @article {48472, title = {Rivaroxaban eutectics with improved solubility, dissolution rates, bioavailability and stability}, journal = {Crystengcomm}, volume = {25}, year = {2023}, month = {JUN }, pages = {3253-3263}, type = {Article}, abstract = {

Rivaroxaban (RXB) is a direct factor Xa inhibitor used for the treatment of deep vein thrombosis (DVT, a blood clot in the leg) and pulmonary embolism (PE, a blood clot in the lung) and to prevent blood clots in atrial fibrillation following hip or knee surgery. However, RXB suffers from poor solubility that hinders its broader application. Although its cocrystals are reported for solubility enhancement, the methodology used to prepare multi-component crystals is complex. Also, it uses hazardous solvents to develop cocrystals. We have prepared eutectics of RXB with caffeic acid (CAA), coumaric acid (CA), fumaric acid (FA), succinic acid (SA), mandelic acid (MA) and trimesic acid (TA) and analyzed them using hot stage microscopy (HSM), differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD), and fourier transform infrared spectroscopy (FTIR) techniques. The saturation solubility and dissolution rate profiles were also obtained to investigate the effect of eutectics on these parameters. Amongst all the coformers tested, coformers CAA, CA, and FA showed significant enhancement in the solubility of RXB. The powder dissolution rate of the eutectics showed considerable enhancement compared to that of RXB. In vivo pharmacokinetic study was carried out for RXB-CAA, RXB-CA and RXB-FA in rats and compared with RXB, which showed 1.5 and 1.4 times enhancement in relative bioavailability for RXB-CAA and RXB-CA, respectively. Stability studies were carried out as per ICH guidelines for all the eutectics, which revealed excellent stability over six months under accelerated (40 degrees C and 75\%) conditions and twelve months under long-term (30 degrees C and 60\% RH) conditions. The DFT studies carried out using the B3LYP/TZVP level of theory revealed higher Gibbs free interaction energy (Delta G(int)) for homosynthons (drugMIDLINE HORIZONTAL ELLIPSISdrug and coformerMIDLINE HORIZONTAL ELLIPSIScoformer) than heterosynthons (drugMIDLINE HORIZONTAL ELLIPSIScoformer).

}, doi = {10.1039/d3ce00261f}, author = {Shaligram, Parth S. and George, Christy P. and Sharma, Himanshu and Mahadik, Kakasaheb R. and Patil, Sharvil and Vanka, Kumar and Arulmozhi, S. and Gonnade, Rajesh G.} } @article {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 {48273, title = {Selective and generic photocatalytic oxidation of alcohol with Pd-TiO2 thin films: butanols to butanal/butanone with different morphologies of Pd and 0.5 theta(Pt)-Pd counterparts}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {MAR}, type = {Article}, abstract = {

The present study reports on the photocatalytic oxidation of butanols to butanal/butanone using thin film form of facet-dependent nano-Pd supported on commercial TiO2 under one-sun condition and demonstrates the generic nature. Pd-nanocube (Pd-NC(100)), Pd-truncated octahedron (Pd-TO (100) and (111)), polycrystalline (Pd-PC), and their counterparts with half-a-monolayer Pt-coated on Pd (0.5 theta(Pt)-Pd)) have been used as co-catalyst. A potentially scalable thin film form of Pd/TiO2 photocatalyst, prepared by drop-casting method, has been employed to study oxidation of n-butanol, 2-butanol, and iso-butanol to corresponding aldehyde/ketone. 100\% selectivity is demonstrated to respective aldehyde/ketone with any catalyst used in the present study with varying degree of butanols conversion by NMR. 0.5 theta(Pt)-Pd-TO/TiO2 shows the highest conversion of 2-butanol to butanone (13.6\% in 4 h). Continuous 10 h of reaction with the most active 0.5 theta(Pt)-Pd-TO/P25 catalyst demonstrates 31\% conversion of 2-butanol to butanone, and catalyst recyclability has been demonstrated. The present protocol can be scalable to large scales to maximize the conversion in direct sunlight. Due to its generic nature, the current method can also be applied to many other alcohols and substrate molecules.

}, keywords = {energy conversion, Nanomaterials, Oxidation, Photocatalysis, Sustainability}, issn = {1861-4728}, doi = {10.1002/asia.202201239}, author = {Salgaonkar, Kranti N. and Kale, Sandip R. and Nalajala, Naresh and Mansuri, Sayana and Gopinath, Chinnakonda S.} } @article {48466, title = {Selective one pot multicomponent green synthesis of 3-[(aryl)(arylthio)methyl]-1H-indole derivatives utilizing enhanced Lewis acidic sites of Surfactant-assisted ZnO catalyst}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {MAY}, pages = {e202300736}, type = {Article}, abstract = {

Five different ZnO nanocrystallites (ZnO-1 to ZnO-5) were successfully synthesized by a surfactant-assisted hydrothermal technique using various surfactants. All the ZnO nanocrystallites are thoroughly characterized by XRD, IR, UV-DRS spectroscopy and FESEM-EDS analysis. Among the synthesized ZnO nanocrystallites, the CTAB-assisted synthesized ZnO-4 exhibited a fine disc-like morphology with a minimum crystallite size (23 nm). Subsequent to reaction optimization studies, the ZnO-4 is utilized as an efficient catalyst for one pot-three component green synthesis of 3-[(aryl)(arylthio)methyl]-1H-indoles (4a-4p) via. condensation of a variety of indoles, aromatic aldehydes and aromatic thiols at room temperature in water. The single-crystal X-ray structure of 3-[(phenyl)(phenylthio)methyl]-1H-indole (4a) is also been reported (CCDC 2170437). The Lewis acidic property of the catalyst-supported probable mechanism is well proposed subsequent to pyridine-IR studies of the ZnO catalysts. Indeed, CTAB-assisted synthesized ZnO-4 was found to be most effective and selective Lewis acid catalyst for the synthesis of a variety of 3-[(aryl)(arylthio)methyl]-1H-indole derivatives in water at ambient temperature with merits like higher yields, lower reaction time, catalyst recovery and reuse.

}, keywords = {3-[(aryl)(arylthio)methyl]-1H-indole, green synthesis, Lewis acidity, Single crystal, ZnO}, issn = {2365-6549}, doi = {10.1002/slct.202300736}, author = {Sangale, Vijay B. B. and Jagtap, Rohidas M. M. and Mali, Bhupendra P. P. and Gonnade, Rajesh G. G. and Pardeshi, Satish K. K.} } @article {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 {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 {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 {48453, title = {Synthesis of N-oxyethylene substituted imidazolium-based zwitterions as a recyclable solvent for cellulose dissolution}, journal = {Cellulose}, volume = {30}, year = {2023}, month = {JAN}, pages = {87-109}, type = {Article}, abstract = {

Cellulose is a readily available, renewable, and natural biomaterial that has the potential to replace synthetic fibres. However, their processing to shaped materials such as fibre or film is still complex and restricted due to its insolubility in most conventional solvents. Herein, we present the synthesis and cellulose dissolution characteristics of a new class of recyclable zwitterions composed of tethered N-oxyethylene substituted imidazolium cation and alkyl carboxylate anion. Investigations on cellulose dissolution showed that increasing the alkyl chain length of carboxylate anion and introduction of oxyethylene unit on imidazolium ring led to better cellulose dissolution ability, and up to 12\% (w/w) cellulose could be dissolved in aqueous zwitterions at 105 degrees C. The thermal behavior of zwitterions and their cellulose solutions was characterized by TGA and found to be more stable than the NMMO and Lyocell solutions. Rheological characterization of cellulose solutions revealed viscoelastic behavior and zero shear viscosity of 6-12\% (w/w) cellulose solution in hexanoate containing aqueous zwitterion was 555 to 5900 Pa.s at 120 degrees C. The characteristics of cellulose solution indicate its potential for processing to cellulose fibre by extrusion through a tiny spinneret. Physico-chemical analysis of regenerated cellulose indicates that zwitterions cause no adverse effect on cellulose structure and morphology during dissolution. The zwitterions are recovered after the cellulose regeneration process, and the recovery was found to be 99.6\% after purification using the ion-exchange method.

}, keywords = {Carboxylate anion, Cellulose dissolution, Oxyethylene unit, Regenerated cellulose, Rheology, zwitterions}, issn = {0969-0239}, doi = {10.1007/s10570-022-04883-1}, author = {Jadhav, Sachin and Ganvir, Vivek and Singh, Madan Kumar and Shanmuganathan, Kadhiravan} } @article {48720, title = {Synthesis of Si(IV)- and Ge(II)-substituted amines, hydrazone, and hydrazine from hypersilyl germylene}, journal = {Organometallics}, volume = {42}, year = {2023}, month = {OCT}, pages = {2983-2990}, type = {Article}, abstract = {

This study investigates the reactivity of a hypersilyl germylene [PhC-(NtBu)(2)GeSi-(SiMe3)(3)] (1) with various organic compounds including azides, diazoalkanes, 1,2-diphenylhydrazine, and trifluoroacetophenone. The reactivity observed in these reactions is driven by the insertion of the organic fragment between a silicon and germanium bond. This leads to the formation of novel compounds, including an amine featuring three different substituents from three different elements of group 14. When reacting with Me3SiCHN2, we observed the insertion of the diazoalkane fragment in an end-on fashion into the Ge-Si bond. An analogous trend was observed in reactions with 1,2-diphenylhydrazine and trifluoroacetophenone, where the N-N and C-O fragments were inserted into the Ge-Si bond. Multinuclear NMR and single-crystal X-ray diffraction analyses were conducted to characterize the newly synthesized compounds.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.3c00318}, author = {Ajithkumar, V. S. and Ghanwat, Pratiksha B. and Raj, K. Vipin and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {48819, title = {Tale of two waves: Delineating diverse genomic and transmission landscapes driving the COVID-19 pandemic in Pune, India}, journal = {Journal of Infection and Public Health}, volume = {16}, year = {2023}, month = {AUG}, pages = {1290-1300}, type = {Article}, abstract = {

Background: Modern response to pandemics, critical for effective public health measures, is shaped by the availability and integration of diverse epidemiological outbreak data. Tracking variants of concern (VOC) is integral to understanding the evolution of SARS-CoV-2 in space and time, both at the local level and global context. This potentially generates actionable information when integrated with epidemiological outbreak data.Methods: A city-wide network of researchers, clinicians, and pathology diagnostic laboratories was formed for genome surveillance of COVID-19 in Pune, India. The genomic landscapes of 10,496 sequenced samples of SARS-CoV-2 driving peaks of infection in Pune between December-2020 to March-2022, were determined. As a modern response to the pandemic, a {\textquoteleft}{\textquoteleft}band of five{\textquoteright}{\textquoteright} outbreak data analytics approach was used. This integrated the genomic data (Band 1) of the virus through molecular phylogenetics with key outbreak data including sample collection dates and case numbers (Band 2), demographics like age and gender (Band 3-4), and geospatial mapping (Band 5).Results: The transmission dynamics of VOCs in 10,496 sequenced samples identified B.1.617.2 (Delta) and BA(x) (Omicron formerly known as B.1.1.529) variants as drivers of the second and third peaks of infection in Pune. Spike Protein mutational profiling during pre and post-Omicron VOCs indicated differential rank ordering of high-frequency mutations in specific domains that increased the charge and binding properties of the protein. Time-resolved phylogenetic analysis of Omicron sub-lineages identified a highly divergent BA.1 from Pune in addition to recombinant X lineages, XZ, XQ, and XM. Conclusions: The band of five outbreak data analytics approach, which integrates five different types of data, highlights the importance of a strong surveillance system with high-quality meta-data for understanding the spatiotemporal evolution of the SARS-CoV-2 genome in Pune. These findings have important implica-tions for pandemic preparedness and could be critical tools for understanding and responding to future outbreaks.\& COPY; 2023 Published by Elsevier Ltd on behalf of King Saud Bin Abdulaziz University for Health Sciences. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

}, keywords = {COVID-19, Delta, Omicron, SARS-CoV-2 genomic surveillance, Variant of concern, Whole Genome Sequencing (WGS)}, issn = {1876-0341}, doi = {10.1016/j.jiph.2023.06.004}, author = {Niveditha, Divya and Khan, Soumen and Khilari, Ajinkya and Nadkarni, Sanica and Bhalerao, Unnati and Kadam, Pradnya and Yadav, Ritu and Kanekar, Jugal B. and Shah, Nikita and Likhitkar, Bhagyashree and Sawant, Rutuja and Thakur, Shikha and Tupekar, Manisha and Nagar, Dhriti and Rao, Anjani G. and Jagtap, Rutuja and Jogi, Shraddha and Belekar, Madhuri and Pathak, Maitreyee and Shah, Priyanki and Ranade, Shatakshi and Phadke, Nikhil and Das, Rashmita and Joshi, Suvarna and Karyakarte, Rajesh and Ghose, Aurnab and Kadoo, Narendra and Shashidhara, L. S. and Monteiro, Joy Merwin and Shanmugam, Dhanasekaran and Raghunathan, Anu and Karmodiya, Krishanpal} } @article {48809, title = {Theory-directed designing of an intrinsic-activity-modulated metal-doped copper oxide electrode for nitrate to ammonia synthesis}, journal = {ACS Applied Energy Materials}, volume = {6}, year = {2023}, month = {MAY}, pages = {6111-6119}, type = {Article}, abstract = {

Synthesis of ammonia via electrochemical reduction ofnitrate isone of the most sustainable routes both for environmental protectionas well as energy saving initiatives. However, this process is limitedto the development of high-performance free-standing catalytic electrodeswith improved selectivity and Faradaic efficiency. Herein, we reporttheory-guided designing and fabrication of free-standing non-noblemetal (Mn, Fe, and Co)-doped copper oxide (CuO) electrodes by usinga simple and scalable electrode preparation method. The density functionaltheory (DFT)-based calculations show that the doped-Co sites in theCu surface facilitate the generation and supply of H+ tothe adsorbed NO3 (-) during the reductionprocess; as a result, the Co-CuO catalyst displays higher selectivitytoward nitrate reduction. The Co-doped Cu electrode (Co-CuO)delivers a higher NH3 yield (5492 mu g cm(-2)) at a reduction potential of -0.91 V vs RHE while maintaininga Faradaic efficiency of \>95\%. The alloying of Co to the coppermetalnot only facilitates the proton donation to the adsorbed reactant(NO3 (-)) but also tunes the Cu d-center,resulting in the active site modulation responsible for the activationof catalysts.

}, keywords = {Active sites, ammonia synthesis, electrocatalysis, Faradaic efficiency, High selectivity, metal-doped electrode}, issn = {2574-0962}, doi = {10.1021/acsaem.3c00617}, author = {Tyagi, Nitin Kumar and Mahapatra, Bikash K. and Ghimire, Suvash and Manna, Narugopal and Kumar, Deepak and Kumar, Vijay and Mukhopadhyay, Kausik and Singh, Santosh K.} } @article {48758, title = {Thermally activated delayed fluorescent solvent-free organic liquid hybrids for tunable emission applications}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {JUL }, type = {Article}, abstract = {

The synthetic feasibility and excellent luminescence features of organic molecules attracted much attention and were eventually found useful in lighting applications. In this context, a solvent-free organic liquid having attractive thermally activated delayed fluorescence features in bulk along with high processability has prime importance. Herein, we report a series of naphthalene monoimide-based solvent-free organic liquids exhibiting cyan to red thermally activated delayed fluorescence with luminescence quantum yields up to 80\% and lifetimes between 10 to 45 mu s. An effective approach explored energy transfer between liquid donors with various emitters exhibiting tunable emission colors, including white. The high processability of liquid emitters improved the compatibility with polylactic acid and was used for developing multicolor emissive objects using 3D printing. Our demonstration of the thermally activated delayed fluorescence liquid will be much appreciated as a processable alternate emissive material suitable for large-area lighting, display, and related applications.

}, keywords = {3D printing, Energy Transfer, OLED, Organic Liquids, TADF}, issn = {1861-4728}, doi = {10.1002/asia.202300276}, author = {Nidhankar, Aakash D. D. and Goudappagouda and Kothavade, Premkumar D. and Dongre, Sangram D. and Veer, Sairam Dnyaneshwar and Dash, Soumya Ranjan and Rajeev, Kavya and Unni, K. N. Narayanan and Shanmuganathan, Kadhiravan and Babu, Sukumaran Santhosh} } @article {48806, title = {Transient response to perturbations in flow synthesis of citrate capped gold nanoparticles}, journal = {Biochemical Engineering Journal}, volume = {470}, year = {2023}, month = {AUG}, pages = {143890}, type = {Article}, abstract = {

This work reports the transient behavior of continuous flow synthesis of gold nanoparticles (Au NPs) when subjected to perturbations in operating conditions using controlled experiments. The intricacies are captured through a detailed mathematical model. Reversed Turkevich protocol was used for synthesis of Au NPs. The synthesis was first studied in batch mode to investigate the reaction kinetics and reproducibility of the process. The optimal set of operating conditions viz., residence time, flow rate, temperature was then used for flow synthesis in a 2 m, 1/16 \& DPRIME;Polytetrafluoroethylene (PTFE) reactor with micromixer. Reactor clogging was avoided by using segmented flow. Inline UV measurement was used for real time monitoring of the process. Transient experiments were performed by abruptly changing the operating conditions. A mathematical model was found to be accurate in predicting the transient behavior of the exit precursor concentration and the particle size for unsteady state synthesis. Even a small change in process variables for short duration was found to disturb the quality of Au NPs for a significantly longer duration. Of the three operating parameters, the effect of temperature variation was seen to have a prolonged effect where the system remained in unsteady state for long time.

}, keywords = {continuous flow synthesis, gold nanoparticles, Particle size, segmented flow, Unsteady behavior}, issn = {1385-8947}, doi = {10.1016/j.cej.2023.143890}, author = {Bari, Atul H. and Shukla, Neerja and Gavriilidis, Asterios and Kulkarni, Amol A.} } @article {48467, title = {Ultrasound assisted green protocol for the synthesis of quinoxaline based bisspirooxindoles: crystal structure analysis, enone umpolung, DFT calculations, anti-cancer activity, and molecular docking studies}, journal = {Synthetic Communications}, volume = {53}, year = {2023}, month = {JUN}, pages = {835-854}, type = {Article}, abstract = {

A series of novel quinoxaline based bisspirooxindolo-pyrrolizidines were synthesized through 1,3-dipolar cycloaddition under ultrasonication with shorter reaction time and good yields. The compounds were well characterized by various spectroscopic methods and finally single crystal X-ray diffraction method (4c, 4d). DFT energy calculations confirm the regioselectivity due to enone umpolung effect. The in vitro anti-cancer activity of the synthesized compounds (4a-s) shows that the compounds 4g and 4q exhibited good anti-cancer activity with IC50 values14.51 +/- 1.1 and 11.36 +/- 0.23 mu M against DU-145 prostate cancer cell line; and 16.78 +/- 0.95 and 14.28 +/- 0.64 mu M against Hela cervical cancer cell lines when compared to the standard anti-cancer drug doxorubicin (1.75 +/- 0.06 and 1.35 +/- 0.09 mu M). In silico molecular docking studies indicated that the synthesized compounds may serve as a potential lead for the further development of novel anti-cancer agents.

}, keywords = {Anti-cancer activity, bisspirooxindoles, DFT calculations, Hirshfeld surface, ultrasonication}, issn = {0039-7911}, doi = {10.1080/00397911.2023.2199360}, author = {Baddepuri, Sravanthi and Allaka, Bhargava Sai and Gamidi, Rama Krishna and Faizan, Mohmmad and Pawar, Ravinder and Basavoju, Srinivas} } @article {48325, title = {Understanding the mechanism of amylin aggregation: From identifying crucial segments to tracing dominant sequential events to modeling potential aggregation suppressors}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1871}, year = {2023}, month = {JAN }, pages = {140866}, type = {Article}, abstract = {

One of the most abundant, prevailing, and life-threatening human diseases that are currently baffling the scientific community is type 2 diabetes (T2D). The self-association of human amylin has been implicated in the pathogenesis of T2D, though with an inconclusive understanding of the mechanism. Hence, we focused on the characterization of the conformational ensembles of all the species that are believed to define the structural polymorphism of the aggregation process - the functional monomeric, the initially self-associated oligomeric, and the structured protofibril - by employing near-equilibrium, non-equilibrium, and equilibrium atomistic simulations on the sporadic, two familial variants (S20G and G33R), and their proline-substituted forms (S20P and G33P). The dynamic near-equilibrium assays hint toward - the abundance of helical conformation in the monomeric state, the retainment of the helicity in the initial self-associated oligomeric phase pointing toward the existence of the helix-helix association mechanism, the difference in preference of specific segments to have definite secondary structural features, the phase-dependent variability in the dominance of specific segments and mutation sites, and the simultaneous presence of generic and unique features among various sequences. Furthermore, the non-equilibrium pulling assays exemplify a generic sequential unzipping mechanism of the protofibrils, however, the sequence-dependent uniqueness comes from the difference in location and magnitude of the control of a specific terminus. Importantly, the equilibrium thermodynamic assays efficiently rank order the potential of aggregability among sequences and consequently suggests the probability of designing effective aggregation suppressors against sporadic and familial amylin variants incorporating proline as the mutation.

}, keywords = {Aggregation mechanism, Bridging information, Conformational polymorphism, Generic suppressor, Helix -driven association, Structural reorganization}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2022.140866}, author = {Ghosh, Ritama and Ghosh, Shreyan and Das, Atanu} } @article {48690, title = {Zwitterionic disilanylium from an unsymmetrical disilene}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {FEB }, pages = {1669-1672}, type = {Article}, abstract = {

The reaction of PhC(NtBu)2SiSi(SiMe3)(3) (1) with Me3SiCH(2)Cl afforded an unsymmetrical sp(2)-sp(3) disilene, 2, with concomitant elimination of Me3SiCl. The analogous reaction with PhC(NtBu)2SiCl resulted in the oxidative addition of the C-Cl bond at the Si(II) atom (3). The reactions of 2 with sulfur and selenium led to compounds with Si=E (E=S (4) and Se (5)) double bonds. Tellurium reacted differently with 2 and furnished a zwitterionic compound, 6.

}, issn = {1359-7345}, doi = {10.1039/d2cc06954g}, author = {Bisai, Milan Kumar and Ajithkumar, V. S. and Raj, K. Vipin and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {48716, title = {Chemodialysis of organic acids using ABPBI-based hollow fiber membranes}, journal = {Journal of Membrane Science}, volume = {689}, year = {2024}, month = {JAN}, pages = {122153}, type = {Article}, abstract = {

Organic acids are a class of essential commodity chemicals used in various industries. Their production methods are shifting from conventional chemicals to fermentation, driven by green process strategies, environmental regulations, cost feasibility, etc. Separating formed acid from the fermentation broth is a primary technological barrier. Conventional methods are complex and impose environmental issues. A promising approach, {\textquoteleft}Chemodialysis,{\textquoteright} capable of transforming the techno-economical feasibility of acid recovery scenario by reducing the number of steps, needs further investigation. This work evaluates scalable hollow fiber membranes based on poly(2,5-benzimidazole) (ABPBI) for chemically assisted dialysis, viz., Chemodialysis. Sorption analyses of commercially significant organic acids (acetic, lactic, and glycolic acid) and nonacidic solutes (NaCl and glucose) were performed using conventional flat sheet samples to assess their role in governing permeation characteristics. The transport properties of acids in the presence of NaCl and glucose as co-solutes were analyzed using hollow fiber membranes. The high selectivity of acid over nonacidic solutes ranges from 400-22,400, coupled with high acid permeability, enhances the applicability of Chemodialysis for the separation of acids using hollow fiber membranes. The fluxes of acids (acetic, glycolic, and lactic) through dense, similar to 100 mu m thick, scalable hollow fiber membranes ranging from 10.9 to 13.12 g/m(2)h are highly appreciable.

}, keywords = {5-benzimidazole), Acid separation, Chemodialysis, Hollow fiber membranes, Organic acids, Poly(2}, issn = {0376-7388}, doi = {10.1016/j.memsci.2023.122153}, author = {Gawas, Saroj and Alladi, Lavanya and Kharul, Ulhas K.} }