@article { ISI:000227581000010, title = {Asymmetric synthesis of aryloxypropanolamines via OsO4-catalyzed asymmetric dihydroxylation}, journal = {Tetrahedron}, volume = {61}, number = {11}, year = {2005}, month = {MAR}, pages = {2831-2838}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {antihypertensive, asymmetric dihydroxylation, cyclic sulfates, epoxides}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.074}, author = {Sayyed, I. A. and Thakur, V. V. and Nikalje, M. D. and Dewkar, Gajanan and Kotkar, S. P. and Sudalai, A.} } @article { ISI: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:000232157000036, title = {Cloning, preparation and preliminary crystallographic studies of penicillin V acylase autoproteolytic processing mutants}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {61}, number = {1}, year = {2005}, month = {JAN}, pages = {124-127}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1744-3091}, doi = {10.1107/S1744309104031227}, author = {Chandra, P. M. and Brannigan, James A. and Prabhune, Asmita and Pundle, A. and Turkenburg, J. P. and Dodson, Guy G. and Suresh, C. G.} } @article { ISI:000233352800026, title = {Diversity oriented synthesis of tricyclic compounds from glycals using the ferrier and the pauson-khand reactions}, journal = {Journal of Combinatorial Chemistry}, volume = {7}, number = {6}, year = {2005}, month = {NOV}, pages = {968-976}, publisher = {AMER CHEMICAL SOC}, type = {a}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Diversity oriented synthesis of tricyclic compounds was achieved using a combination of the Ferrier reaction and the Pauson-Khand reaction. Ferrier reaction was effected using NbCl5, and the Pauson-Khand reaction was carried out using CO2(CO)(8), acetonitrile-dimethoxyethane. Michael additions using various alkyl, aryl, and heterocyclic thiols were also performed successfully. The Ferrier, Pauson-Khand, and Michael addition reactions were found to be highly diastereoselective.

}, issn = {1520-4766}, doi = {10.1021/cc050079+}, author = {Hotha, Srinivas and Tripathi, A.} } @article { ISI:000227833600003, title = {Enantioselective synthesis of (S)-alpha-arylpropionic acids via pd-catalyzed kinetic resolution of benzylic alcohols}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {44}, number = {3}, year = {2005}, month = {MAR}, pages = {557-562}, publisher = {NATL INST SCIENCE COMMUNICATION}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

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

}, issn = {0376-4699}, author = {Thakur, V. V. and Sudalai, A.} } @article { ISI:000228147400027, title = {First enantiospecific synthesis of (+)-beta-herbertenol}, journal = {Tetrahedron}, volume = {61}, number = {15}, year = {2005}, month = {APR}, pages = {3873-3879}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The first enantiospecific synthesis of (+)-beta-herbertenol, from naturally occurring R-(+)-citronellal, employing Taber{\textquoteright}s diazo decomposition protocol as the key step, is described. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {citronellal, diazo decomposition, enantiospecific}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.050}, author = {Chavan, Subhash P. and Thakkar, M. and Kharul, Rajendra K. and Pathak, A. B. and Bhosekar, Gaurav V. and Bhadbhade, Mohan M.} } @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:000233264700006, title = {Influence of alkali metal doping on selectivity behaviour of platinum catalysts for hydrogenation of 2-butyne-1,4-diol}, journal = {Catalysis Communications}, volume = {6}, number = {11}, year = {2005}, month = {NOV}, pages = {725-730}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Hydrogenation of 2-butyne-1,4-diol to 2-butene-1,4-diol (B(2)D) and butane-1,4-diol (B(1)D) using Pt catalysts doped with alkali metals was studied. These catalysts showed higher selectivity to the olefinic diol (B2D) compared to that with monometallic platinum catalyst. Among various alkali metals, Cs-doped catalyst showed highest selectivity (\>99\%) to B(2)D. The selectivity to B(2)D increased (up to 99.9\%) with increase in the concentration of Cs from 0.25\% to 1\%. The increase in the basic strength of alkali doped catalysts measured by CO(2)-TPD, would be responsible for the increase in electron density of Pt hence, faster desorption and higher selectivity to the intermediate olefinic diol (B(2)D). The reaction parameters; such as temperature, H(2) pressure and substrate concentration haye strong influence on the catalyst activity but almost no effect on the selectivity to B(2)D. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {2-butene-1, 2-butyne-1, 4-diol, alkali metal doping, platinum catalysts, Selective hydrogenation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2005.07.009}, author = {Telkar, M. M. and Rode, C. V. and Rane, V. H. and Chaudhari, R.} } @article { ISI:000226212200001, title = {Influence of process pressure on HW-CVD deposited a-Si : H films}, journal = {Solar Energy Materials and Solar Cells}, volume = {85}, number = {3}, year = {2005}, note = {2nd International Conference on Cat-CVD (Hot-Wire CVD) Process, DENVER, CO, SEP 10-14, 2002}, month = {JAN}, pages = {301-312}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Electrical properties, FTIR spectroscopy, hot wire chemical vapor deposition, hydrogenated amorphous silicon, Raman spectroscopy}, issn = {0927-0248}, doi = {10.1016/j.solmat.2004.04.017}, author = {Jadkar, Sandesh R. and Sali, J. V. and Kshirsagar, S. T. and Takwale, M. G.} } @article { ISI:000227818600031, title = {Isolation and characterization of an iodide bridged dimeric palladium complex in carbonylation of methanol}, journal = {Journal of Organometallic Chemistry}, volume = {690}, number = {6}, year = {2005}, month = {MAR}, pages = {1677-1681}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Palladium-catalyzed carbonylation of methanol in presence of iodide promoters was investigated. Iodide bridged palladium dimeric complex, [PPh3CH3](2)[Pd2I6] was isolated from the carbonylation reaction mixture and characterized using X-ray crystallography. Reaction mechanism was proposed based on IR and UV spectroscopic characterizations of catalytic species involved in the catalytic cycle. The isolated dimeric palladium species, [Pd2I6](2-) underwent carbonylation to give monomeric species [PdI3CO](-) at atmospheric pressure of carbon monoxide. It was also observed that PPh3 plays an important role to avoid catalyst deactivation at higher temperatures. Turnover frequency (TOF) of 1052 h(-1) was achieved using Pd(OAC)(2)-HI-PPh3 catalyst system at 175 degrees C. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {dirneric palladium, IR spectroscopy, methanol carbonylation, palladium catalyst, reaction mechanism, UV}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2005.01.010}, author = {Tonde, S. S. and Kelkar, Ashutosh A. and Bhadbhade, Mohan M. and Chaudhari, Raghunath V.} } @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:000229553300007, title = {Larvicidal activity of acacia nilotica extracts and isolation of D-pinitol - a bioactive carbohydrate}, journal = {Chemistry \& Biodiversity}, volume = {2}, number = {5}, year = {2005}, month = {MAY}, pages = {684-688}, publisher = {VERLAG HELVETICA CHIMICA ACTA AG}, type = {Article}, address = {HOFWIESENSTRASSE 26, POSTFACH, CH-8042 ZURICH, SWITZERLAND}, abstract = {

A low-molecular-weight, sugar-like compound other than glucose, fructose, sucrose, or myo-inositol showing lipophilic nature was isolated from the EtOH extract of Acacia nilotica. The structure of the compound was determined by spectral methods. This alicyclic polyalcohol was found to be D-pinitol (- 3-O-methyl-D-chiro-inositol; 1). The configuration of the compound was confirmed by single-crystal X-ray analysis. The compound I is known from Soybean, Australian mangroves, Fagonia indica, A rachis hypogaea, etc., but we have isolated this compound for the first time from the aerial parts of A. nilotica. Very few references have been cited for compound I for its entomological activity, and there are no reports on mosquitoes. Therefore, the crude extracts of A. nilotica were tested for its biological activity against mosquito larvae. Acetone extract at 500-ppm concentration showed chronic toxicity against Aedes aegypti and Culex quinquefasciatus IVth instar mosquito larvae. Such a biological activity has been observed for the first time for this plant. This study could be a stepping stone to a solution for destroying larval species as well as consumption of such a widely grown, problem weed, A. nilotica. This larvicidal agent, since it is derived from plant, is eco-friendly, cost effective, non-hazardous to nontarget organisms and would be safe unlike commercially available insecticides.

}, issn = {1612-1872}, doi = {10.1002/cbdv.200590044}, author = {Chaubal, Rohini and Pawar, P. V. and Hebbalkar, G. D. and Tungikar, V. B. and Puranik, Vedavati G. and Deshpande, V. H. and Deshpande, N. R.} } @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: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:000227313400027, title = {NBS-catalyzed hydroamination and hydroalkoxylation of activated styrenes}, journal = {Organic Letters}, volume = {7}, number = {5}, year = {2005}, month = {MAR}, pages = {855-857}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1523-7060}, doi = {10.1021/ol047402m}, author = {Talluri, S. K. and Sudalai, A.} } @article { ISI:000230023600008, title = {Niobium(V) chloride catalyzed microwave assisted synthesis of 2,3-unsaturated O-glycosides by the Ferrier reaction}, journal = {Tetrahedron Letters}, volume = {46}, number = {27}, year = {2005}, month = {JUL}, pages = {4555-4558}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.05.015}, author = {Hotha, Srinivas and Tripathi, A.} } @article { ISI:000228867800003, title = {Response of trichogramma chilonis to infochemicals: an SEM and electrophysiological investigation}, journal = {Biocontrol}, volume = {50}, number = {3}, year = {2005}, month = {JUN}, pages = {429-447}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {antennae, Chickpea, cotton, EAG, parasitoid, pigeon pea, scanning electron microscopy, Trichogramma chilonis, Volatiles}, issn = {1386-6141}, doi = {10.1007/s10526-004-1295-1}, author = {Sen, A and Raina, R and Joseph, Mary P. and Tungikar, VB} } @article { ISI:000233062500003, title = {Role of a co-metal in bimetallic Ni-Pt catalyst for hydrogenation of m-dinitrobenzene to m-phenylenediamine}, journal = {Applied Catalysis A-General}, volume = {295}, number = {1}, year = {2005}, month = {OCT}, pages = {23-30}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Bimetallic Ni-Pt catalysts supported on carbon were found to give very high turn over frequency numbers and almost complete selectivity to m-phenylenediamine in m-dinitrobenzene hydrogenation as compared to the monometallic nickel catalysts. The XRD and XPS characterization revealed that most of the nickel remains as Ni2+ in a monometallic catalyst while, the addition of platinum leads to the stabilization of Ni-0 state, in case of bimetallic catalysts. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Bimetallic catalyst, Catalytic hydrogenation, m-dinitrobenzene, m-phenylenediamine, Selective hydrogenation, turn over number, XPS and XRD of nickel}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.07.050}, author = {Telkar, M. M. and Nadgeri, J. M. and Rode, C. V. and Chaudhari, R.} } @article { ISI:000232909100017, title = {Separability of local reactivity descriptors}, journal = {Journal of Chemical Sciences}, volume = {117}, number = {5}, year = {2005}, month = {SEP}, pages = {497-505}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {condensed Fukai functions, Local reactivity descriptors, molecular interactions, separability}, issn = {0974-3626}, doi = {10.1007/BF02708355}, author = {Tanwar, A and Pal, S} } @article { ISI:000234330700013, title = {Studies on the lactic-fermentation of sugar apple (Annona squamosa L.) puree}, journal = {Journal of Food and Drug Analysis}, volume = {13}, number = {4}, year = {2005}, month = {DEC}, pages = {377-381}, publisher = {NATL LABORATORIES FOODS DRUGS}, type = {Article}, address = {161-2 KUEN YANG STREET, NANKANG, TAIPEI, TAIWAN}, abstract = {

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

}, keywords = {annonaceae, DPPH scavenging, Fermentation, Lactobacillus}, issn = {1021-9498}, author = {Tien, Y. Y. and Ng, C. C. and Chang, C. C. and Tseng, W. S. and Kotwal, S. and Shyu, Y. T.} } @article { ISI:000232341100013, title = {Synthesis and biodegradability of polyaspartic acid: a critical review}, journal = {Journal of Macromolecular Science-Pure and Applied Chemistry}, volume = {A42}, number = {9}, year = {2005}, month = {SEP}, pages = {1299-1315}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

}, keywords = {Biodegradation, poly(aspartic acid), Polycondensation, polysuccinimide, synthesis, thermal}, issn = {1060-1325}, doi = {10.1080/10601320500189604}, author = {Thombre, SM and Sarwade, BD} } @article { ISI:000226567700007, title = {Synthesis and characterization of ferrocenylchalcogenopropargyl complexes [Fe(eta(5)-(C5H4ECH2C)-C-I CH)(2)] (E-I = Se, S) and their reactions to form unusual ferrocenyl-containing metal clusters with eclipsed Cp rings and new five-membered (FeECH)-C-I =}, journal = {Organometallics}, volume = {24}, number = {3}, year = {2005}, month = {JAN}, pages = {367-372}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0276-7333}, doi = {10.1021/om049226r}, author = {Mathur, P. and Singh, V. K. and Mobin, Shaikh M. and Srinivasu, C. and Trivedi, R. and Bhunia, A. K. and Puranik, Vedavati G.} } @article {42602, title = {Synthesis and curing studies of PPG based telechelic urethane methacrylic macromonomers}, journal = {European Polymer Journal}, volume = {41}, year = {2005}, month = {JAN}, pages = {23{\textendash}33}, type = {Article}, abstract = {

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

}, doi = {10.1016/j.eurpolymj.2004.08.005}, author = {Asha, S. K. and Thirumal, M. and Kavitha, A. and Pillai, C.K.S.} } @article { ISI: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:000231782100007, title = {Unusual stereochemical outcome of radical cyclization: synthesis of (+)-biotin}, journal = {Tetrahedron}, volume = {61}, number = {39}, year = {2005}, month = {SEP}, pages = {9273-9280}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {biotin, exocyclization, radical cyclization}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.07.070}, author = {Chavan, Subhash P. and Chittiboyina, A. G. and Ramakrishna, G. and Tejwani, R. B. and Ravindranathan, T. and Kamat, Subhash K. and Rai, B. and Sivadasan, L. and Balakrishnan, K. and Ramalingam, S. and Deshpande, V. H.} } @article { ISI:000237358000001, title = {Characterization of polydimethylsiloxane rubber upon photochemical, thermal, salt-fog ageings and exposure to acid vapours}, journal = {E-Polymers}, year = {2006}, month = {MAY}, pages = {Article No. 013}, publisher = {EUROPEAN POLYMER FEDERATION}, type = {Article}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {

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

}, issn = {1618-7229}, author = {Delor-Jestin, Florence and Tomer, N. S. and Singh, R. P. and Lacoste, Jacques} } @article { ISI: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:000236996200020, title = {Crystalline phases in nylon-11: studies using HTWAXS and HTFTIR}, journal = {Macromolecules}, volume = {39}, number = {8}, year = {2006}, month = {APR}, pages = {2841-2848}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nylon-11 was crystallized into different crystalline phases by appropriate methods. The chance in the structure during heating was monitored in situ by wide-angle X-ray scattering (WAXS). The alpha phase obtained by precipitating nylon-11 in 1,4-butanediol started transforming into the pseudohexagonal phase on heating, but the transformation was not fully completed before melting. The melt crystallized sample at 175 degrees C gave the pseudohexagonal phase, which transformed into the alpha{\textquoteright} phase on cooling to room temperature at about 100 degrees C. The d spacing of the 00 1 reflection also showed a change at the transition temperature. The melt-quenched sample showed the pseudohexagonal phase, which did not change during heating, but on cooling transformed into alpha{\textquoteright} phase. The gamma phase was obtained by casting nylon-11 in trifluoroacetic acid (TFA), and it changed into the pscudohexagonal phase at about 110 degrees C on heating. The d spacing of the 001 reflection depended on the way in which it was obtained. The studies have shown that nylon-11 is one of the few nylons that exhibit an extensive degree of polymorphism. High-temperature Fourier transform infrared spectroscopy (HTFTIR) studies revealed, apart from the conformational differences between various phases of nylon-11, some information on the formation of the gamma phase.

}, issn = {0024-9297}, doi = {10.1021/ma052597e}, author = {Nair, S. S. and Ramesh, C. and Tashiro, K.} } @article { ISI:000241849000022, title = {Direct somatic embryogenesis and plant regeneration in Garcinia indica Choiss}, journal = {Current Science}, volume = {91}, number = {8}, year = {2006}, month = {OCT}, pages = {1074-1078}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

Direct somatic embryogenesis without an intervening callus phase was induced from immature seeds of Gar- cinia indica Choiss. Woody plant medium supplemented with 6-benzyl amino purine (BAP) (4.44-22.19 mu m) alone or in combination with a-naphthaleneacetic acid (2.69 mu m) produces somatic embryos within a period of 2-3 weeks with 80\% frequency. Embryo induction was observed all over the explant surface. Origin of the embryo was confirmed histologically from sub-epidermal layer of the seed. Maturation of these embryos was achieved after 12 weeks of culture on a medium containing BAP (16.08 mu m) in combination with indole-3-acetic acid (2.85-5.71 mu m) and/or kinetin (4.65 mu m). About 75\% of the regenerated somatic embryos germinated into complete plantlets. The plantlets were acclimatized successfully with 92\% survival in greenhouse.

}, keywords = {Garcinia indica, guttifereae, seeds, somatic embryos}, issn = {0011-3891}, author = {Thengane, Shubhada Ratnakar and Deodhar, Swapna R. and Bhosle, S. V. and Rawal, S. K.} } @article { ISI:000238110300002, title = {Effect of organic additives on the mitigation of volatility of 1-nitro-3,3 {\textquoteleft}-dinitroazetidine (TNAZ): next generation powerful melt cast able high energy material}, journal = {Journal of Hazardous Materials}, volume = {134}, number = {1-3}, year = {2006}, month = {JUN}, pages = {8-18}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {melt castable explosive, morphological structure, synthesis, Thermolysis, trinitroazetidine (TNAZ), volatility behavior}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2003.10.008}, author = {Talawar, M. B. and Singh, Alok and Naik, N. H. and Polke, B. G. and Gore, G. M. and Asthana, S. N. and Gandhe, B. R.} } @article { ISI:000242137400025, title = {Efficient deprotection of dithioacetals to carbonyls using Oxone-KBr in aqueous acetonitrile}, journal = {Tetrahedron Letters}, volume = {47}, number = {48}, year = {2006}, month = {NOV}, pages = {8559-8561}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple and efficient method has been developed for the chemoselective dethioacetalization of dithioacetals to aldehydes and ketones using Oxone-KBr in aqueous acetonitrile at room temperature. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {deprotection, dethioacetalization, Oxone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.09.138}, author = {Desai, Uday V. and Pore, D. M. and Tamhankar, B. V. and Jadhav, Sushilkumar A. and Wadgaonkar, P. P.} } @article { ISI:000237993500018, title = {Efficient, solvent-free method for the chemoselective synthesis of acylals from aldehydes and their deprotection catalyzed by silica sulfuric acid as a reusable solid acid catalyst}, journal = {Catalysis Communications}, volume = {7}, number = {7}, year = {2006}, month = {JUL}, pages = {508-511}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An efficient method has been developed for the chemoselective synthesis of acylals from aldehydes and acetic anhydride in the presence of silica sulfuric acid as a reusable solid acid catalyst under solvent-free conditions. Ketones are found to remain unaffected under the reaction conditions. The deprotection of acylals has also been achieved using SSA in methanol medium. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Acylals, aldehydes, Chemoselective, protection and deprotection silica sulfuric acid}, issn = {1566-7367}, doi = {10.1016/j.catcom.2005.12.028}, author = {Desai, Uday V. and Thopate, T. S. and Pore, D. M. and Wadgaonkar, P. P.} } @article { ISI:000241755300045, title = {First enantiospecific synthesis of (-)-parvifoline and (-)-curcuquinone}, journal = {Journal of Organic Chemistry}, volume = {71}, number = {23}, year = {2006}, month = {NOV}, pages = {8986-8988}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first enantiospecific synthesis of (-)-parvifoline, employing ring-closing metathesis as the key step, and (-)-curcuquinone from naturally occurring (R)-(+)-citronellal is described.

}, issn = {0022-3263}, doi = {10.1021/jo061730d}, author = {Chavan, Subhash P. and Thakkar, Mahesh and Jogdand, Ganesh F. and Kalkote, Uttam R.} } @article {32}, title = {Grapevine DNA polymorphisms revealed by microsatellite-derived markers from soybean and rice}, journal = {Vitis}, volume = {45}, number = {2}, year = {2006}, month = {JAN}, pages = {81-84}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

We report detection of DNA polymorphisms in grapevine by the use of microsatellite-flanking primer pairs from soybean and rice. These "cross species" microsatellite-derived markers were checked for their inheritance patterns in controlled grapevine crosses. They produced multiple bands that segregated and can be scored as individual genetic markers of dominant type. Employed in genetic mapping studies they offer advantages such as improved reproducibility in comparison to commonly used multi-locus marker systems like RAPDs and AFLPs.

}, keywords = {1, 3-dipolar addition, pyrazoles, regiospecific reaction, sydnones}, issn = {0039-7911}, author = {Agrawal, Dinesh C. and Topfer, R. and Zyprian, E.} } @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:000236313300022, title = {Influence of extended pi-conjugation units on carrier mobilities in conducting polymers}, journal = {Chemical Physics Letters}, volume = {420}, number = {4-6}, year = {2006}, month = {MAR}, pages = {387-390}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Carrier mobilities in thin films of copolymers with repeat units consisting of oligothiophenes bridged by Si atoms are measured over a range of doping levels, where the numbers of thienylenes in the repeat unit are 7, 8, 10, 12, and 14. The mobilities for these polymer films increased with the increase in doping level and the mobility enhancement followed an increasing order of the pi-conjugation length. The magnitude of the mobility increase for the Si polymer comprising 14 thiophene units reached ca. 10(4), implying that this pi-conjugation length is almost sufficient to reproduce transport properties of polythiophenes. (c) 2006 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2006.01.009}, author = {Harima, Yutaka and Kim, D. H. and Tsutitori, Y. and Jiang, Xiaoqing and Patil, R. and Ooyama, Y. and Ohshita, J. and Kunai, A.} } @article { ISI:000242646200011, title = {Interaction induced shifts in O-H stretching frequency of water in halide-ion water clusters: a microscopic approach with a bond descriptor}, journal = {Journal of Chemical Physics}, volume = {125}, number = {21}, year = {2006}, month = {DEC}, pages = {Article No. 214304}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Based on conceptual density functional theory, two new descriptors, the normalized atom-condensed Fukui functions (NFFs) and bond deformation kernel (BDK), are proposed to describe the O-H stretching frequency shifts in water halide-ion clusters by including local polarizations in the system. NFF, along with BDK, can be successfully used to describe interactions between different atoms, especially in cases where polarizations are quite important. (c) 2006 American Institute of Physics.

}, issn = {0021-9606}, doi = {10.1063/1.2400225}, author = {Tanwar, Akhilesh and Bagchi, Biman and Pal, Sourav} } @article { ISI:000237850400006, title = {Isolation of new straight chain compounds from acacia nilotica}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {45}, number = {5}, year = {2006}, month = {MAY}, pages = {1231-1233}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

A novel diester, pentacosane dioic acid dihexadecyl ester 1 has been isolated for the first time from n-hexane soxhlet extract of Acacia nilotica. Saponification of the diester reveals the presence of an alcohol, hexadecanol and pentacosane dioic acid. The structures of both the compounds are confirmed by GCMS analysis. Saponification of pet-ether extract of Acacia nilotica has been carried out. Unsaponiflable matter is further purified by column chromatography followed by repeated mixed solvent crystallization to afford heptacosan-1,2,3-triol 2.

}, keywords = {Acacia nilotica, diester, pentacosane dioic acid, saponification}, issn = {0376-4699}, author = {Chaubal, Rohini and Tambe, Amruta and Biswas, Sujata and Rojatkar, Supada and Deshpande, Vishnu and Deshpande, Nirinala} } @article { ISI:000239381500020, title = {Micropropagation of Indian laurel (Calophyllum inophyllum), a source of anti-HIV compounds}, journal = {Current Science}, volume = {90}, number = {10}, year = {2006}, month = {MAY}, pages = {1393-1397}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

An efficient protocol for in vitro micropropagtion of Calophyllum inophyllum (Linn.), an evergreen littoral tree, through multiple shoot formation from seed explants was developed. In vitro germination of the seeds was standardized on Woody Plant Medium (WPM) hormone free and/or supplemented with 6-benzylaminopurine (BAP; 2.22 mu M) and on half or full strength MS medium. Multiple shoot formation was achieved on WPM supplemented with BAP (2.22-44.00 mu M) and thidiazuron (TDZ; 0.91-4.54 mu M) from the decapitated seedling explants. The maximum multiple shoots, 20.9 per explant were induced on TDZ (0.91 mu M) after two subcultures. Elongated shoots of size \> 4.0 cm were obtained on all media combinations with an average of 2.2-8.7 per explant. Elongation of the stunted shoots induced on BAP and TDZ was done on half strength WPM without any growth hormones. The elongated shoots on half WPM and/or full strength WPM supplemented with indole-3-butyric acid (2.46-24.60 mu M) alone or in combination with BAP (2.22 mu M) resulted in 52\% rooting with 1-5 roots per rooted plant. The micropropagated plants were acclimatized successfully with 77\% survival rate after five weeks. These plants were planted in the institute campus for ex situ conservation, where 72\% plants are showing good growth and development.

}, keywords = {Calophyllum inophyllum, ex situ conservation, micropropagation, seed}, issn = {0011-3891}, author = {Thengane, Shubhada Ratnakar and Bhosle, S. V. and Deodhar, Swapna R. and Pawar, K. D. and Kulkarni, D. K.} } @article { ISI:000239573100068, title = {Minimum magnetizability principle}, journal = {Journal of Chemical Physics}, volume = {125}, number = {5}, year = {2006}, month = {AUG }, pages = {Article No. 056101}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, issn = {0021-9606}, doi = {10.1063/1.2227381}, author = {Tanwar, Akhilesh and Pal, Sourav and Roy, Debesh Ranjan and Chattaraj, Pratim Kumar} } @article { ISI:000241686000011, title = {Novel beaded polymers from telechelic methacrylic ether esters}, journal = {Reactive \& Functional Polymers}, volume = {66}, number = {10}, year = {2006}, month = {OCT}, pages = {1087-1096}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {ether-ester dimethacrylates, macroporous, Pore size distribution, porosity, telechelics}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2006.01.020}, author = {Pujari, N. S. and Trivedi, J. and Ingavle, Ganesh C. and Ponrathnam, S.} } @article { ISI:000239218800010, title = {Novel series of oligomers from 4-aminomethyl-tetrahydrofuran-2-carboxylates with 2,4-cis and 2,4-trans stereochemistry}, journal = {Tetrahedron}, volume = {62}, number = {33}, year = {2006}, month = {AUG}, pages = {7718-7725}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/22/007}, author = {Thomas, Senoy and Sakthikumar, D. and Joy, Pattayil Alias and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000238398000019, title = {Optimization of fermentation media for exopolysaccharide production from lactobacillus plantarum using artificial intelligence-based techniques}, journal = {Process Biochemistry}, volume = {41}, number = {8}, year = {2006}, month = {AUG}, pages = {1842-1848}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A Lactobacillus strain was isolated from the fermented Eleusine coracana. This strain was characterized as Lactobacillus plantarum and was found to produce an exopolysaccharide (EPS) in quantitative amounts. The objective of the present paper is to determine optimum media composition and inoculum volume for the stated fermentative production of the EPS. A hybrid methodology comprising the Plackett-Burman (PB) design method, artificial neural networks (ANN) and genetic algorithms (GA) was utilized. Specifically, the PB, ANN and GA forrnalisms were used for identifying influential media components, modeling non-linear process and optimizing the process, respectively. More specifically, the PB method was used to determine those media components, which significantly influence the EPS yield. By ignoring the less influential media components, the dimensionality of the input space of the process model could be reduced significantly. Out of the five media components only three were found influential namely, lactose, casein hydrolysate and triammonium citrate. Next, an ANN-based process model was developed for approximating the non-linear relationship between the fermentation operating variables and the EPS yield. The average \% error and correlation coefficient for the developed ANN model were 4.8 and 0.999, respectively. The input parameters of ANN model were subsequently optimized using the GA formalism for obtaining maximum EPS yield in batch fermentation. The optimized media composition has predicted the yield of 7.01 g/l. The GA-optimized solution comprising media composition and inoculum volume was verified experimentally and it comes out be 7.14 g/l. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {Artificial neural network, exopolysaccharide, Fermentation, Genetic algorithm, Lactobacillus plantarum, Media optimization, Plackett-Burman}, issn = {1359-5113}, doi = {10.1016/j.procbio.2006.03.037}, author = {Desai, Kiran M. and Akolkar, S. K. and Badhe, Yogesh P. and Tambe, S. S. and Lele, S. S.} } @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:000242873400035, title = {Potassium phosphate or silica sulfuric acid catalyzed conjugate addition of thiols to alpha,beta-unsaturated ketones at room temperature under solvent-free conditions}, journal = {Tetrahedron Letters}, volume = {47}, number = {52}, year = {2006}, month = {DEC}, pages = {9325-9328}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {alpha, beta-unsaturated ketones, chalcones, conjugated enones, Michael addition, Potassium phosphate, silica sulfuric acid, thiols}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.10.114}, author = {Pore, D. M. and Soudagar, M. S. and Desai, Uday V. and Thopate, T. S. and Wadagaonkar, P. P.} } @conference { ISI:000238125903211, title = {Preparation and characterization of a series of new organically modified montmorillonite clays using X-ray diffraction, thermogravimetric analysis and FTIR spectroscopy}, booktitle = {231st National Meeting of the American-Chemical-Society}, volume = {231}, year = {2006}, note = {231st National Meeting of the American-Chemical-Society, Atlanta, GA, MAR 26-30, 2006}, month = {MAR}, pages = {211-COLL}, publisher = {American Chemical Society}, organization = {American Chemical Society}, type = {Meeting Abstract}, address = {1155 16th ST, NW, Washington, DC 20036 USA}, issn = {0065-7727}, author = {Natarajan, Upendra and Tiwari, Rajkiran R.} } @article { ISI:000239688400001, title = {Preparation and performance evaluation of EPDM nanocomposites under accelerated weathering}, journal = {Journal of Thermoplastic Composite Materials}, volume = {19}, number = {5}, year = {2006}, month = {SEP}, pages = {461-474}, publisher = {SAGE PUBLICATIONS LTD}, type = {Article}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

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

}, keywords = {carbonyl index, Degradation, EPDM, layered silicates, Nanocomposites, photooxidation}, issn = {0892-7057}, doi = {10.1177/0892705706062204}, author = {Rana, Sravendra and Tevtia, Amit K. and Kumar, Bijendra and Singh, R. P.} } @article { ISI:000238843200010, title = {Repetitive somatic embryogenesis and plant regeneration in Garcinia indica Choiss}, journal = {In Vitro Cellular \& Developmental Biology-Plant}, volume = {42}, number = {3}, year = {2006}, month = {MAY}, pages = {256-261}, publisher = {CABI PUBLISHING}, type = {Article}, address = {C/O PUBLISHING DIVISION, NOSWORTHY WAY, WALLINGFORD OX10 8DE, OXON, ENGLAND}, abstract = {

Immature seeds of Garcinia indica Choiss. were excised from immature fruits and cultured on Lloyd and McCown (1980), woody plant medium (WPM) with different combinations of auxins and cytokinins. Somatic embryos were obtained on the media supplemented with 6-benzylaminopurine (BA; 2.2-22.1 mu M) alone or in combination with alpha-naphthalene acetic acid (NAA; 2.6 mu M) with 80\% frequency within a period of 2-3 wk. Subculture of embryos on medium containing BA (16.0 mu M) supplemented with indole-3-acetic acid (IAA; 2.8-5.7 mu M) and/or kinetin (4.6 mu M) gave rise to clusters of secondary somatic embryos along with maturation of primary embryos. In subsequent subculture on hormone-free half-strength WPM, the embryo clusters germinated with an increase in the number of secondary somatic embryos. About 70\% of somatic embryos germinated into complete plantlets, which were successfully established under greenhouse conditions.

}, keywords = {Garcinia indica, guttifereae, secondary somatic embryos, seeds, somatic embryos}, issn = {1054-5476}, doi = {10.1079/IVP2006763}, author = {Thengane, Shubhada Ratnakar and Deodhar, Swapna R. and Bhosle, S. V. and Rawal, S. K.} } @article {24}, title = {Soft-sensor development for fed-batch bioreactors using support vector regression}, journal = {Biochemical Engineering Journal}, volume = {27}, number = {3}, year = {2006}, note = {Conference on Atomic Molecular and Optical Physics, Calcutta, INDIA, DEC 13-15, 2005}, month = {JAN}, pages = {225-239}, publisher = {Indian Assoc Cultivat Sci}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

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

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

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

}, keywords = {Antioxidants, discoloration, ethylene-propylene copolymer, gamma-sterilization, stabilization, tensile properties}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2006.03.010}, author = {Alariqi, Sameh A. S. and Kumar, A. Pratheep and Rao, B. S. M. and Tevtia, Amit K. and Singh, R. P.} } @article { ISI:000236814800021, title = {Synthesis of 4-aminomethyl-tetrahydrofuran-2-carboxylates with 2,4-cis and 2,4-trans relationships}, journal = {Tetrahedron}, volume = {62}, number = {17}, year = {2006}, month = {APR}, pages = {4110-4119}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {gamma amino acids, Peptidomimetics, scaffolds, sugar amino acids}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.02.007}, author = {Edwards, Alison A. and Sanjayan, Gangadhar J. and Hachisu, Shuji and Soengas, Raquel and Stewart, Alistair and Tranter, George E. and Fleet, George W. J.} } @article { ISI:000245334800007, title = {Analysis of a membrane reactor: influence of membrane characteristics and operating conditions}, journal = {International Journal of Chemical Reactor Engineering}, volume = {5}, year = {2007}, month = {APR}, pages = {Article No. A5}, publisher = {BERKELEY ELECTRONIC PRESS}, type = {Article}, address = {2809 TELEGRAPH AVENUE, STE 202, BERKELEY, CA 94705 USA}, abstract = {

Modeling of an esterification reaction in a batch pervaporation membrane reactor (PVMR), and an analysis of the PVMR performance under different reaction conditions for different membrane characteristics are presented. Esterification of ethyl alcohol with acetic acid was considered as the model reaction. The PVMR performance for this reaction could be represented by a 2-step series model. The PVMR performance was similar to that of the batch reactor when both the reactors were in the kinetic regime. However, the performance of the PVMR was superior to that of the batch reactor when both were in the intermediate/equilibrium regime of the reaction. In these regions, the PVMR performance was influenced/limited by the membrane flux and selectivity. The analysis showed that the membrane flux affected the PVMR performance in the intermediate region and the membrane selectivity affected the performance in the equilibrium regime. Further, the limitations introduced by a low-flux membrane could be overcome by appropriate selection of the membrane area and that due to poor selectivity could be compensated to a certain extent by adjusting the feed ratio.

}, keywords = {comparison, Esterification, membrane reactor, performance, pervaporation membrane}, issn = {1542-6580}, author = {Tanna, Nikunj P. and Mayadevi, S.} } @article { ISI:000247306400010, title = {Anhydrous magnesium sulfate mediated solvent-free synthesis of dihydropyrimidin-2(1H)-ones at ambient temperature}, journal = {Australian Journal of Chemistry}, volume = {60}, number = {6}, year = {2007}, month = {JUN}, pages = {435-438}, publisher = {CSIRO PUBLISHING}, type = {Article}, address = {150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA}, abstract = {

An anhydrous magnesium sulfate mediated solvent-free protocol is described for the synthesis of dihydropyrimidinones (Biginelli compounds) at ambient temperature.

}, issn = {0004-9425}, doi = {10.1071/CH07097}, author = {Pore, D. M. and Desai, Uday V. and Thopate, T. S. and Wadgaonkar, P. P.} } @article { ISI:000244470700005, title = {Asymmetric synthesis of (R)-(-)-baclofen via asymmetric dihydroxylation}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {46}, number = {2}, year = {2007}, month = {FEB}, pages = {326-330}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

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

}, keywords = {asymmetric dihydroxylation, baclofen, cyclic sulfate, gamma-aminobutyric acid, Parkinsons{\textquoteright} disease}, issn = {0376-4699}, author = {Thakur, V. V. and Paraskar, A. S. and Sudalai, A.} } @article { ISI:000251714500004, title = {Complex carbohydrate specificity of lectin from fruiting body of ganoderma lucidum. a surface plasmon resonance study}, journal = {IUBMB Life}, volume = {59}, number = {12}, year = {2007}, month = {JAN}, pages = {758-764}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The thermodynamics and kinetics of binding of glycans and glycoproteins to Ganoderma lucidum lectin was studied using surface plasmon resonance. The lectin showed highest affinity for asialo triantennary N glycan (Ka = 3.52 x 10(5)) among the glycans tested. There was a several fold increase in affinity for glycoproteins compared to their corresponding glycans and coincident increase in contribution from enthalpy (Delta H), suggesting the involvement of hydrogen bonding in the interaction as well as involvement of protein-protein interactions. Increased affinity also showed increase in unfavorable negative binding entropy (Delta S) which was compensated with higher enthalpy. The glycoproteins showed faster association rates (k(1)) and the activation energy (E-1(double dagger)) in the association process was much lower for the glycoproteins than glycans, resulting in their faster associations. These observations elaborate the role of protein matrix in lectin-glycoconjugate interaction.

}, keywords = {ganoderma lucidum, glycans, Lectin, SPR}, issn = {1521-6543}, doi = {10.1080/15216540701663463}, author = {Thakur, Atul and Pal, Lakhan and Ahmad, Absar and Khan, Mohammad Islam} } @article {42683, title = {Controlled aggregation of gold nanoparticle networks induced by alkali metal ions}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {7}, year = {2007}, month = {AUG}, pages = {2683-2689}, type = {Article}, abstract = {

Gold nanoparticle networks were obtained by linking them with cysteine modified triethyleneglycols. The oligo-ether linker molecule initially having a linear structure probably adopts a crown ether type structure upon complexation with alkali metal ions that leads to a controlled aggregation of the network. The extent of aggregation depends on the degree of conformational change in the molecule upon complexation with the metal ion, which in turn is governed by the metal ion radius leading to a dependence of red shift of the surface plasmon resonance on the metal ion radius. Since this network is present in the organic solvent they also act as phase transferring agent for the alkali metal ions from aqueous to organic media.

}, keywords = {Aggregation; Alkali Metal Ions; Au Nanoparticles; Crown Ether; Surface Plasmon Resonance}, doi = {10.1166/jnn.2007.612}, author = {Tamang, Sudarsan and Hotha, Srinivas and Bhagavatula L. V. Prasad} } @article { ISI:000245141300021, title = {Controlled synthesis of low-molecular-weight polyethylene waxes by titanium-biphenolate-ethylaluminum sesquichloride based catalyst systems}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {3}, year = {2007}, month = {MAY}, pages = {1531-1539}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Soluble complexes of titanium(IV) bearing sterically hindered biphenols, such as biphenol, 1,1{\textquoteright}-methylene di-2-naphthol, 2,2{\textquoteright}-methylene bis(4-chlorophenol), 2,2{\textquoteright}-methylene bis(6-tert-butyl-4-ethyl phenol), and 2,2{\textquoteright} ethylidene bis(4,6-di-tert-butyl phenol), were prepared and characterized. These catalyst precursors, formulated as [Ti((OO)-O-boolean AND)X-2], were active in the polymerization of ethylene at high temperatures in combination with ethylaluminum sesquichloride as a cocatalyst. The ultra-low-molecular-weight polyethylenes (PEs) were linear and crystalline and displayed narrow polydispersities. The catalytic polymerization leading to PE waxes in this reaction exhibited unique properties that have potential applications in surface coatings and adhesive formulations. (c) 2007 Wiley Periodicals, Inc.

}, keywords = {Catalysts, polyethylene (PE), synthesis, Ziegler-Natta polymerization}, issn = {0021-8995}, doi = {10.1002/app.25525}, author = {Umare, Prashant S. and Rao, Karumanchi and Tembe, Gopal L. and Dhoble, Deepa Arun and Trivedi, Bhavna} } @article { ISI:000244983400014, title = {Cross-linking assessment after accelerated ageing of ethylene propylene diene monomer rubber}, journal = {Polymer Degradation and Stability }, volume = {92}, number = {3}, year = {2007}, month = {MAR}, pages = {457-463}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {ageing, EPDM, Oxidation, thermal analysis, thermoporosimetry}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2006.11.013}, author = {Tomer, N. S. and Delor-Jestin, Florence and Singh, R. P. and Lacoste, Jacques} } @article { ISI: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: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:000251244900020, title = {Environmentally benign catalytic hydroformylation-oxidation route for naproxen synthesis}, 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 = {8480-8489}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Hydroformylation of 6-methoxy-2-vinylnaphthalene (MVN), using homogeneous Rh(CO)acac) as a catalyst and a chelating bidentate ligand (1,2-bis-(diphenylphosphino) ethane, dppe), followed by oxidation of the product (2-(6-methoxynaphthyl) propanal, 2-MNP) has been studied as an alternative route for the synthesis Of D,L-naproxen. The feasibility of the MVN hydroformylation route has been demonstrated, and a detailed study has been reported on the key hydroformylation step. The roles of the catalyst, ligands, and solvents, as well as the effect of reaction conditions on the reaction rate and regioselectivity of the product 2-MNP, have been investigated. With Rh(CO)2(acac) as a catalyst and dppe as a ligand, \> 98\% selectivity to 2-MNP (an important precursor to D,L-naproxen) has been achieved. A possible mechanism to explain the variation in regioselectivity with Rh(CO)(2)(acac) as a catalyst and dppe as a ligand has been discussed. The kinetics of the hydroformylation step has been investigated and a rate equation has been proposed. The second step in the proposed route for naproxen-the oxidation of 2-MNP to 2-(6-methoxynaphthyl) propanoic acid (2-MNPA, or naproxen) - has been studied using Na2WO4 as a catalyst and tetrabutyl ammonium hydrogen sulfate (TBAHS) as the phase-transfer catalyst with H2O2 as the oxidant for the first time. Screening of the catalysts that consisted of the early transition metals, such as salts of tungsten, vanadium, and molybdenum showed that Na2WO4 gives the best performance for the oxidation step with \> 80\% selectivity to 2-(6-methoxynaphthyl)propanoic acid (2-MNPA/naproxen). This study would be valuable in developing a new environmentally benign route for naproxen synthesis.

}, issn = {0888-5885}, doi = {10.1021/ie0700866}, author = {Rajurkar, Kalpendra B. and Tonde, Sunil S. and Didgikar, Mahesh R. and Joshi, Sunil S. and Chaudhari, Raghunath V.} } @article { ISI:000243799400004, title = {Estimation of gross calorific value of coals using artificial neural networks}, journal = {Fuel}, volume = {86}, number = {3}, year = {2007}, month = {FEB}, pages = {334-344}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Artificial neural network, gross calorific value (GCV), proximate and ultimate analyses}, issn = {0016-2361}, doi = {10.1016/j.fuel.2006.07.036}, author = {Patel, Shagufta U. and Kumar, B. Jeevan and Badhe, Yogesh P. and Sharma, B. K. and Saha, Sujan and Biswas, Subhasish and Chaudhury, Asim and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @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.} } @article { ISI:000243704000028, title = {First enantiospecific synthesis of (-)-heritol: absolute configuration determination}, journal = {Tetrahedron Letters}, volume = {48}, number = {4}, year = {2007}, month = {JAN}, pages = {643-646}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The first enantiospecific synthesis of (-)-heritol, from naturally occurring (R)-(+)-citronellal and confirmation of its absolute configuration, is described. (c) 2006 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.11.123}, author = {Chavan, Subhash P. and Thakkar, Mahesh and Kalkote, Uttam R.} } @article { ISI:000250122000026, title = {Gas sorption and transport in polyarylates: effect of substituent symmetry and polarity}, journal = {Journal of Membrane Science}, volume = {303}, number = {1-2}, year = {2007}, month = {OCT}, pages = {244-251}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The gas sorption properties of polyarylates based on bisphenol-A possessing symmetric/asymmetric substitution by nonpolar -CH3 group and symmetrically linked terephthalic acid were examined. The effects of substitution of polar bromine on terephalic acid moiety of polyarylate based on asymmetrically substituted bisphenol were also studied for physical, sorption and transport properties. The estimation of dual mode sorption parameters, solubility and diffusion coefficient revealed that nature of the substituent and substitution type plays a crucial role in depicting permeation properties. An asymmetric substitution by -CH3 group increased solubility coefficient of pure gases (N-2, O-2, CH4 and CO2) up to 27\% and symmetric substitution increased the same up to 106\%. This was coupled with 7-35\% increase in solubility selectivity in both cases of substitution, which ascertained the usefulness of methyl group substitution in polyarylates based on terephalic acid. The pressure dependency of solubility coefficients and solubility selectivity was also investigated for these polyarylates. The sorption and transport properties of these polyarylates correlated well with physical properties of polyarylates and gases studied. The sorption/desorption kinetics of symmetrically substituted TMBisA-T was performed in order to deduce time dependent sorption behavior and to evaluate diffusivity coefficient. The apparent diffusion coefficients from sorption kinetics, desorption kinetics and from steady-states permeation-sorption were compared. The diffusion coefficients of CH4 and N-2 deduced by these methods correlated well with each other. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Diffusion, kinetics, permeation, polyarylates, Sorption}, issn = {0376-7388}, doi = {10.1016/j.memsci.2007.07.018}, author = {Karadkar, Prasad B. and Kharul, Ulhas K. and Bhole, Yogesh S. and Badhe, Yogesh P. and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @article { ISI:000246157400015, title = {Geometrical solution to the sharkskin instability}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {10}, year = {2007}, month = {MAY}, pages = {3048-3056}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We study the effect of die exit divergence on the sharkskin behavior, both experimentally as well as through the use of computational fluid dynamics (CFD) simulations. Sharkskin or surface fracture is known to occur immediately after the die exit, because of the large elongational deformation that a polymer melt experiences as it exits the die. We show that the diverging taper at the die exit postpones or completely removes the occurrence of sharkskin. The corresponding CFD simulations of an equivalent K-BKZ fluid show that the taper at the die exit significantly reduces the severity of the elongational flow, thereby reducing the normal stresses as the polymer melt leaves the die. We believe that, in an extrusion operation, the provision of a diverging taper at the die exit is one of the potential measures by which sharkskin instability can be eliminated on an industrial scale.

}, issn = {0888-5885}, doi = {10.1021/ie0610391}, author = {Pol, Harshawardhan V. and Joshi, Yogesh M. and Tapadia, Prashant S. and Lele, Ashish K. and Mashelkar, Raghunath Anant} } @article { ISI:000244902800037, title = {Improve polyethylene process control and product quality - using artificial intelligence-based sensors can improve costs}, journal = {Hydrocarbon Processing }, volume = {86}, number = {3}, year = {2007}, month = {MAR}, pages = {53+}, publisher = {GULF PUBL CO}, type = {Article}, address = {BOX 2608, HOUSTON, TX 77252-2608 USA}, issn = {0018-8190}, author = {Badhe, Yogesh P. and Lonari, J. and Tambe, S. S. and Kulkarni, B. D. and Valecha, N. K. and Deshmukh, S. V. and Ravichandran, S.} } @article { ISI:000247943800001, title = {Influence of organic modification on mechanical properties of melt processed intercalated poly(methyl methacrylate)-organoclay nanocomposites}, journal = {Journal of Applied Polymer Science}, volume = {105}, number = {5}, year = {2007}, month = {SEP}, pages = {2433-2443}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The influence of organic modifiers on intercalation extent, structure, thermal and mechanical properties of poly(methyl methacrylate) (PMMA)-clay nanocomposites were studied. Two different organic modifiers with varying hydrophobicity (single tallow versus ditallow) were investigated. The nanocomposites were prepared from melt processing method and characterized using wide angle X-ray diffraction, transmission electron microscopy, thermogravimetric analysis, differential scanning calorimetry (DSC), and tensile tests. Mechanical properties such as tensile modulus (E), break stress (sigma(brk)), and 0\% break strain (epsilon(brk)) were determined for nanocomposites at various clay loadings. Extent of PMMA intercalation is sufficient and in the range 9-15 angstrom depending on organoclay and filler loading. Overall thermal stability of nanocomposites increases by 16-30 degrees C. The enhancement in T-g of nanocomposite is merely by 2-4 degrees C. With increase in clay loading, tensile modulus increases linearly while \% break strain decreases. Break stress is found to increase till 4 wt \% and further decreases at higher clay loadings. The overall improvement in thermal and mechanical properties was higher for the organoclay containing organic modifier with lower hydrophobicity and single tallow amine chemical structure. (c) 2007 Wiley Periodicals, Inc.

}, keywords = {mechanical properties, Nanocomposites, organoclay, structure, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.26192}, author = {Tiwari, Rajkiran R. and Natarajan, Upendra} } @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:000252092000023, title = {Organo-catalytic approach to the enantioselective synthesis of (R)-selegiline}, journal = {Tetrahedron}, volume = {63}, number = {39}, year = {2007}, month = {SEP}, pages = {9758-9763}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantioselective synthesis of (R)-selegiline has been achieved by two routes, via proline-catalyzed alpha-aminooxylation as well as alpha-amination of phenylpropanaldehyde as the key step. (c) 2007 Elsevier Ltd. All rights reserved.

}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.07.012}, author = {Talluri, Siva Kumar and Sudalai, Arumugam} } @article {64}, title = {Polyethylene waxes: catalytic synthesis by ti-biphenolates}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {44}, number = {7-9}, year = {2007}, month = {JUL}, pages = {977-987}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

{Soluble complexes of Ti (IV) bearing biphenol groups such as 1,1{\textquoteright}-binaphthelene 2, 2{\textquoteright} diol (Binol), 1, 1{\textquoteright}-methylene di-2-naphthol, biphenol were prepared and characterized. These catalyst precursors formulated as [

}, keywords = {fibers, Nanoparticles, Self-assembly}, issn = {0021-9797}, author = {Umare, Prashant S. and Rao, Karumanchi and Tembe, Gopal L. and Dhoble, Deepa Arun and Trivedi, Bhavna} } @article { ISI:000252029800002, title = {Practical synthesis of (+/-)-venlafaxine}, journal = {Synthetic Communications}, volume = {37}, number = {22-24}, year = {2007}, month = {NOV}, pages = {3901-3906}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A practical total synthesis of antidepressant (+/-)-venlafaxine is disclosed.

}, keywords = {antidepressant, Grignard reaction, Michael addition}, issn = {0039-7911}, doi = {10.1080/00397910701572266}, author = {Chavan, Subhash P. and Khobragade, Dushant A. and Thakkar, Mahesh and Kalkote, Uttam R.} } @conference {42803, title = {Removal of AS(III) and AS (V) from contaminated water sources by sorption onto novel pei-attached poly(hipe) beads", paper presented at international conference on ?role of analytical chemistry in nuclear technology?}, booktitle = {Role of Analytical Chemistry in Nuclear Technology}, year = {2007}, month = {DEC}, address = {BARC, Mumbai, India}, author = {Ingavle, Ganesh C. and Tayal, Rajeev and Shaikh, Wasif Abdul Lateef and Chaudhari, Sanjeev and Chavan, Nayaku and Rajan, Chelanattukizhakkemadath Raman and Ponrathnam, Surendra} } @article { ISI: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:000244413600017, title = {Spinning wave motion in frontal polymerization}, journal = {Chemical Engineering Science}, volume = {62}, number = {5}, year = {2007}, month = {MAR}, pages = {1448-1455}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {frontal polymerization, spinning wave, spiral motion, wave dynamics}, issn = {0009-2509}, doi = {10.1016/j.ces.2006.11.037}, author = {Inamdar, Satish R. and Pujari, N. S. and Karimi, I. A. and Ponrathnam, S. and Tayal, R. K. and Kulkarni, B. D.} } @article { ISI:000251217800008, title = {Stereoselective hydrogenation of tert-butylphenols over charcoal-supported rhodium catalyst in supercritical carbon dioxide solvent}, journal = {Journal of Catalysis}, volume = {252}, number = {1}, year = {2007}, month = {NOV}, pages = {57-68}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {charcoal-supported rhodium catalyst, stereoselective hydrogenation, supercritical carbon dioxide solvent, tert-butylcyclohexanol}, issn = {0021-9517}, doi = {10.1016/j.jcat.2007.08.01}, author = {Hiyoshi, Norihito and Rode, Chandrashekhar V. and Sato, Osamu and Tetsuka, Hiroyuki and Shirai, Masayuki} } @article { ISI:000244732800019, title = {Stereoselective synthesis of 3-alkylidene/alkylazetidin-2-ones from azetidin-2,3-diones}, journal = {Tetrahedron}, volume = {63}, number = {11}, year = {2007}, month = {MAR}, pages = {2524-2534}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {3-diones, azetidin-2, azetidin-2-ones, beta-lactam, Grignard reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.12.010}, author = {Tiwari, Dharmendra Kumar and Shaikh, Ashif Y. and Pavase, Laxmikant S. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000243821700012, title = {Structural evolutions of hydrothermally prepared mesostructured MCM-48 silica using differently manufactured amorphous silica powders}, journal = {Journal of Non-Crystalline Solids}, volume = {353}, number = {2}, year = {2007}, month = {FEB}, pages = {194-199}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {long-range order, micelles, scanning electron microscopy, silica, silicates, sol-gels (xerogels), X-ray diffraction}, issn = {0022-3093}, doi = {10.1016/j.jnoncrysol.2006.10.005}, author = {Taralkar, U. S. and Jha, Ratnesh Kumar and Joshi, P. N.} } @article { ISI:000245141300028, title = {Synthesis and characterization of hindered amine light stabilizers based on end functionalization of polypropylene}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {3}, year = {2007}, month = {MAY}, pages = {1596-1602}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {end functionalization, functionalization of polymers, polymeric HALS, polypropylene, vinylidine and photostabilization}, issn = {0021-8995}, doi = {10.1002/app.25745}, author = {Reddy, K. Raghunatha and Kumar, Bijendra and Rana, Sravendra and Tevtia, Amit K. and Singh, R. P.} } @article { ISI: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:000248376400006, title = {Unusual trisulphide linkage in bromine-thiourea reaction: crystal structure of formamidinium trisulphide complex with bromine}, journal = {Molecular Crystals and Liquid Crystals}, volume = {469}, year = {2007}, month = {SEP}, pages = {69+}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

{A new complex of formamidinium trisulphide with bromine has been synthesized. Single-crystal X-ray analysis of this compound revealed a novel trisulphide linkage in the formamidinium trisulphide moiety. The crystals belong to orthorhombic space group Fdd2 with a = 14.9119(15)

}, keywords = {bromine, crystal structure, formamidinium trisulphide, thiourea}, issn = {1542-1406}, doi = {10.1080/15421400701431265}, author = {Tol, Abhaya D. and Natu, Arun D. and Puranik, Vedavati G.} } @article { ISI:000251444400008, title = {Complexation of heavy metals by crosslinked chitin and its deacetylated derivatives}, journal = {Carbohydrate Polymers}, volume = {71}, number = {1}, year = {2008}, month = {JAN}, pages = {66-73}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Chitin was crosslinked using diisocyanatohexane (HDI), trimellitic anhydride (TMA), and dibromodecane (DBD), then deacetylated in strong aqueous alkali. This led to a product with amine functional groups on the exposed surface of the crosslinked chitin, which could be utilized for complexation with heavy metals. Thus, a key feature of the crosslinked derivatives prepared was that only the hydroxy Groups were utilized in the crosslinking reaction, and the acetylamino groups of chitin were hydrolyzed only after the crosslinking was accomplished. This ensured that all amino groups of the chitosans so produced would be available for metal complexation, and not partially used up in crosslinking. This proposed advantage was proved by the similar binding observed for heavy metals like Hg (348-372 mg/g), Cu (91-119 mg/g), Zn (71-92 mg/g), Mn (3-10 mg/g), Cd (121-160 mg/g), and Pb (32-86 mg/g) using these crosslinked polymers, whereas the control polymer (uncrosslinked chitosan powder) had complexation values for Hg (348-361 mg/g), Cu (100-106 mg/g), Zn (81-92 mg/g), Mn (4-7 mg/g), Cd (135 mg/g), and Pb (25-59 mg/g). Additionally, in a case where chitosan was crosslinked with HDI. the amino groups were consumed in the crosslinking reaction, and the metal complexation capacity has found to be decreased for Cu (91-109 mg/g), Cd (133 mg/g), and Zn (71-77 mg/g), while remaining nearly the same for Hg (362 mg/g). The literature value for Cu complexation is 59.67 mg/g for chitosan crosslinked with glutaraldehyde. The crosslinked derivatives have the added advantage of insolubility even in low pH aqueous media, making their repeated re-use possible. Further, these crosslinked derivatives could be used in powder form, and the additional step of preparing beads was found to be not necessary for ease of separation of the crosslinked powder by filtration. The binding capacity of various crosslinked chitin and deacetylated derivatives for Cu, Cd, Hg, Zn, Mn. and Pb was in the region of 100, 140, 360 88, 5, and 60 mg/g (rounded off values) of polymer, respectively, very close to the values obtained for uncrosslinked chitosan. The metal binding for crosslinked chitosan was slightly lower than that of crosslinked chitin and deacetylated derivatives, due to use of some amino groups in crosslinking. For Cu ions, the Langmuir equation was found to be the best fit for HDI crosslinked deacetylated chitin and TMA crosslinked deacetylated chitin. The morphological studies conducted using WAXRD are in close agreement with the metal complexation data, showing complete loss of original chitosan peaks for the heavily complexed derivatives, and minor changes for the weakly complexed metals. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Chitosan, Crosslinked chitosan, deacetylated chitin, metal complexation, Morphology}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2007.05.016}, author = {Trimukhe, K. D. and Varma, Anjanikumar} } @article { ISI:000259146100007, title = {Conformational preferences of hypermodified nucleoside lysidine (k(2)C) occurring at wobble position in anticodon loop of tRNA(IIe)}, journal = {Nucleosides Nucleotides \& Nucleic Acids}, volume = {27}, number = {10-11}, year = {2008}, month = {JUN}, pages = {1158-1174}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Conformational preferences of hypermodified nucleoside, 4-amino-2-(N(6)-lysino)-1-(beta-D-ribofuranosyl) pyrimidinium (Lysidine or 2-lysyl cytidine), usually designated as k(2)C, have been investigated theoretically by the quantum chemical perturbative configuration interaction with localized orbitals (PCILO) method. The zwitterionic, non-zwitterionic, neutral, and tautomeric forms have been studied. Automated geometry optimization using molecular mechanics force field (MMFF), semi-empirical quantum chemical PM3, and ab initio molecular orbital Hartree-Fock SCF quantum mechanical calculations have also been made to compare the salient features. The predicted most stable conformations of zwitterionic, non-zwitterionic, neutral, and tautomeric form are such that in each of these molecules the orientation of lysidine moiety (R) is trans to the N(1) of cytidine. The preferred base orientation is anti (chi = 3 degrees) and the lysine substituent folds back toward the ribose ring. This results in hydrogen bonding between the carboxyl oxygen O(12a) of lysine moiety and the 2{\textquoteright}-hydroxyl group of ribose sugar. In all these four forms of lysidine O(12a)...H-C(9) and O(12b)...H-N(11) interactions provide stability to respective stable conformers. Watson-Crick base pairing of lysidine with A is feasible only with the tautomeric form of usual anti oriented lysidine. This can help in recognition of AUA codon besides in avoiding misrecognition of AUG.

}, keywords = {hypermodified, k(2)C, lysidine, stable conformers}, issn = {1525-7770}, doi = {10.1080/15257770802341475}, author = {Sonawane, Kailas D. and Tewari, Ravindra} } @article { ISI:000256536200010, title = {De novo shoot regeneration from root cultures of garcinia indica choiss}, journal = {Indian Journal of Experimental Biology}, volume = {46}, number = {6}, year = {2008}, month = {JUN}, pages = {482-486}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Roots of plantlets of Garcinia indica when cultured for long time on half strength MS medium supplemented with BAP (0.44-2.22 mu M) showed production of de novo shoots. Roots attached to mother plant showed more number of shoots, while excised root segments produced lesser shoots. Shoots (0.5-0.8 cm) were transferred to elongation medium consisting of Woody Plant Medium (WPM) supplemented with BAP (4.44-22.69 mu M), IAA (5.71 mu M and kinetin (4.65 mu M). It was observed that shoot length increased to 1-2 cm. WPM medium supplemented with NAA (2.69-10.74 mu M) and IBA (4.90 mu M) induced rooting within 20-25 days. Using the present protocol, 20-25 plantlets could be regenerated from single root explant within 3 to 4 months. The protocol has potential for large scale production of elite plants.

}, keywords = {Garcinia indica, guttifereae, organogenesis, roots, shoots}, issn = {0019-5189}, author = {Deodhar, Swapna R. and Thengane, R. J. and Thengane, Shubhada Ratnakar} } @article { ISI:000255448400001, title = {Distributed chemical computing using chemstar: an open source java remote method invocation architecture applied to large scale molecular data from pubchem}, journal = {Journal of Chemical Information and Modeling}, volume = {48}, number = {4}, year = {2008}, month = {APR}, pages = {691-703}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

present the application of a Java remote method invocation (RMI) based open source architecture to distributed chemical computing. This architecture was previously employed for distributed data harvesting of chemical information from the Internet via the Google application programming interface (API; ChemXtreme). Due to its open source character and its flexibility, the underlying server/client framework can be quickly adopted to virtually every computational task that can be parallelized. Here, we present the server/client communication framework as well as an application to distributed computing of chemical properties on a large scale (currently the size of PubChem; about 18 million compounds), using both the Marvin toolkit as well as the open source JOELib package. As an application, for this set of compounds, the agreement of log P and TPSA between the packages was compared. Outliers were found to be mostly non-druglike compounds and differences could usually be explained by differences in the underlying algorithms. ChemStar is the first open source distributed chemical computing environment built on Java RMI, which is also easily adaptable to user demands due to its {\textquoteleft}{\textquoteleft}plug-in architecture{\textquoteright}{\textquoteright}. The complete source codes as well as calculated properties along with links to PubChem resources are available on the Internet via a graphical user interface at http://moltable.nel.res.in/chemstar/.

}, issn = {1549-9596}, doi = {10.1021/ci700334f}, author = {Karthikeyan, Muthukumarasamy and Krishnan, S. and Pandey, Anil Kumar and Bender, Andreas and Tropsha, Alexander} } @article { ISI:000259273200027, title = {Durability of crosslinked polydimethylsyloxanes: the case of composite insulators}, journal = {Science and Technology of Advanced Materials}, volume = {9}, number = {2}, year = {2008}, note = {International Conference on Magneto-Science, Hiroshima, JAPAN, NOV, 2007}, month = {JUN}, pages = {024406}, publisher = {NATL INST MATERIALS SCIENCE}, type = {Article}, address = {NATL INST MATERIALS SCIENCE, 1-2-1 SENGEN, TSUKUBA-CITY, IBARAKI, 305-0047, JAPAN}, abstract = {

Most applications of silicones are linked to their hydrophobic properties and (or) their high resistance to ageing (e. g. thermal ageing and photoageing). However, when placed in extreme environments, these materials can fail as in the case of epoxy/fiber glass composite powerlines insulators, where crosslinked polymethylsyloxanes (PDMSs) are used as the protective envelope (housing) of the insulator. We report on the behavior of both pure/noncrosslinked PDMSs and typical formulations used in industrial insulators, i.e. containing peroxide crosslinked PDMS, alumina trioxide hydrated (ATH) and silica. Special attention is paid on both (i) the sources of potential degradation and (ii) the best analytical methods that can be applied to the study of very complex formulations. (i) Aside from conventional types of ageing such as photo-ageing and thermal, hydrolytic, and service life ageings, treatments with acidic vapors, plasma and ozone possibly generating species from the reaction of a high electric field with air were also performed, which allowed to accelerate electrical and out-door ageings and to obtain differently aged materials. (ii) Aside from conventional analytical methods of polymer degradation such as FTIR/ATR spectroscopy and SEC, TG, hardness measurements, more specific methods like photo/DSC, TG/IR, thermoporosimetry, resistivity and density measurements were also performed to characterize the chemical and physical evolutions of polymer materials. In particular, it was found that treatment with nitric acid vapor has detrimental effects on the properties of both fire retardants (e. g. ATH) and PDMSs, affecting the hardness and resistivity of the formulated material.

}, keywords = {composite insulators, durability, PDMS, post-crosslinking, silicone}, issn = {1468-6996}, doi = {10.1088/0031-8949/9/2/024406}, author = {Delor-Jestin, Florence and Tomer, Namrata S. and Singh, Raj Pal and Lacoste, Jacques} } @article { ISI:000259755300059, title = {Effect of organic modifiers and silicate type on filler dispersion, thermal, and mechanical properties of ABS-Clay nanocomposites}, journal = {Journal of Applied Polymer Science}, volume = {110}, number = {4}, year = {2008}, month = {NOV}, pages = {2374-2383}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Acrylonitrile-butadiene-styrene (ABS)-clay composite and intercalated nanocomposites were prepared by melt processing, using Na-montmorillonite (MMT), several chemically different organically modified MMT (OMMT) and Na-laponite clays. The polymer-clay hybrids were characterized by WAXD, TEM, DSC, TGA, tensile, and impact tests. Intercalated nanocomposites are formed with organoclays, a composite is obtained with unmodified MMT, and the nanocomposite based on synthetic laponite is almost exfoliated. An unintercalated nanocomposite is formed by one of the organically modified clays, with similar overall stack dispersion as compared to the intercalated nanocomposites. T, of ABS is unaffected by incorporation of the silicate filler in its matrix upto 4 wt \% loading for different aspect ratios and organic modifications. A significant improvement in the onset of thermal decomposition (40-44 degrees C at 4 wt \% organoclay) is seen. The Young{\textquoteright}s modulus shows improvement, the elongation-at-break shows reduction, and the tensile strength shows improvement. Notched and unnotched impact strength of the intercalated MMT nanocomposites is lower as compared to that of ABS matrix. However, laponite and overexchanged organomontmorillonite clay lead to improvement in ductility. For the MMT clays, the Young{\textquoteright}s modulus (E) correlates with the intercalation change in organoclay interlayer separation (Delta d(001)) as influenced by the chemistry of the modifier. Although ABS-laponite composites are exfoliated, the intercalated OMMT-based nanocomposites show greater improvement in modulus. (C) 2008 Wiley Periodicals, Inc. J Appl Polym Sci 110:2374-2383, 2008

}, keywords = {clay, filler, mechanical, structure characterization, styrene-butadiene}, issn = {0021-8995}, doi = {10.1002/app.28699}, author = {Tiwari, Rajkiran R. and Natarajan, Upendra} } @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: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:000252293400023, title = {Hydrogenation activity and selectivity behavior of supported palladium nanoparticles}, journal = {Catalysis Communications}, volume = {9}, number = {3}, year = {2008}, month = {MAR}, pages = {441-446}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Enhancement in activity and selectivity of catalytic hydrogenation using supported nanosize palladium catalyst has been investigated. Pd/C catalyst prepared in the presence of polyvinyl pyrrolidone (PVP) as a stabilizer gave Pd particle size in a narrow range of 3-5 nm. While, evaluating for hydrogenation of 2-butyne-1,4-diol, the rate enhancement was found to be 10 times higher as compared to the conventional (bulk) Pd catalysts. A proper choice of stabilizer (PVP) giving small particle size as well as highly dispersed nature of nano particles were the major factors for such a dramatic enhancement of activity. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {butynediol, Catalytic hydrogenation, nanosize palladium, Selective hydrogenation, SEM-EDX analysis, size distribution, supported Pd nanoparticles}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.07.023}, author = {Nadgeri, J. M. and Telkar, M. M. and Rode, C. V.} } @article { ISI:000258977500033, title = {Influence of synthesis conditions on structural properties of MCM-48}, journal = {Journal of Physics and Chemistry of Solids}, volume = {69}, number = {8}, year = {2008}, month = {AUG}, pages = {2075-2081}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The influence of synthesis variables such as time, cetyltrimethyl ammonium hydroxide (CTAOH) concentration, water content, pH, temperature and silica source on the structural properties of Si-MCM-48 is investigated. Time-dependent studies on the progressive development of MCM-48 have indicated that synthesis time is a crucial parameter, which influences the unit cell parameter. The formation of different mesophases was observed when the concentration of CTAOH and pH of the initial gel were varied. The Si-29 MASNMR results showed that the (Q(2) +W-3)/Q(4) ratio decreases with the increase in synthesis temperature. On account of increase in W units at high-temperature synthesis run, Si-MCM-48 with highly polymerized silica walls with lower surface area was obtained when compared with Si-MCM-48 prepared at lower temperature. Such effect was not significant when Si-MCM-48 was synthesized at the same temperature but using silica sol as a source in place of fumed silica. (c) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0022-3697}, doi = {10.1016/j.jpcs.2008.03.004}, author = {Taralkar, U. S. and Kasture, M. W. and Joshi, P. N.} } @article { ISI:000260923000048, title = {Intramolecular Diels-Alder reaction in ionic liquids: effect of ion-specific solvent friction}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {22}, year = {2008}, month = {NOV}, pages = {9075-9083}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The present work aims at understanding the role of viscosity or solvent friction in ionic liquids for an intramolecular Diels-Alder (IMDA) reaction of (E)-1-phenyl-4-[2-(3-methyl-2-butenyloxy)benzylidene]-5-pyrazolone (1). The results have been analyzed on the basis of the current theoretical models, and their failure to account for the observed trends is discussed in terms of {\textquoteleft}{\textquoteleft}effective{\textquoteright}{\textquoteright} viscosity or microviscosity. The rates of the reaction decrease with the increasing viscosity of the ionic liquids. As evident from the anionic effect, the solute-solvent specific interactions play a role in governing the kinetics of the reaction. The lower viscosities of the bistrifluoromethanesulfonimide [NTf(2)](-) based ionic liquids as compared to those based on tetrafluoroborate [BF(4)](-) anion fail to result in a corresponding acceleration in the rates of the reaction. These contradictory results indicate that solvent microviscosity, rather than the bulk macroscopic viscosity, should be the criteria for selecting the ionic liquids as reaction media.

}, issn = {0022-3263}, doi = {10.1021/jo801802q}, author = {Tiwari, Shraeddha and Khupse, Nageshwar D. and Kumar, Anil} } @article { ISI:000254543000039, title = {Local electronic structure and magnetic properties of LaMn(0.5)Co(0.5)O(3) studied by x-ray absorption and magnetic circular dichroism spectroscopy}, journal = {Physical Review B}, volume = {77}, number = {12}, year = {2008}, month = {MAR}, pages = {125124}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

We have studied the local electronic structure of LaMn(0.5)Co(0.5)O(3) using soft-x-ray absorption spectroscopy at the Co-L(3,2) and Mn-L(3,2) edges. We found a high-spin Co(2+)-Mn(4+) valence state for samples with the optimal Curie temperature. We discovered that samples with lower Curie temperatures contain low-spin nonmagnetic Co(3+) ions. Using soft-x-ray magnetic circular dichroism, we established that the Co(2+) and Mn(4+) ions are ferromagnetically aligned. We also revealed that the Co(2+) ions have a large orbital moment: morb/mspin approximate to 0.47. Together with model calculations, this suggests the presence of a large magnetocrystalline anisotropy in the material and predicts a nontrivial temperature dependence for the magnetic susceptibility.

}, issn = {1098-0121}, doi = {10.1103/PhysRevB.77.125124}, author = {Burnus, T. and Hu, Z. and Hsieh, H. H. and Joly, V. L. Joseph and Joy, Pattayil Alias and Haverkort, M. W. and Wu, Hua and Tanaka, A. and Lin, H. -J. and Chen, C. T. and Tjeng, L. H.} } @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:000253115600026, title = {Morphological study of heavy metal complexes of chitosan and crosslinked chitosans by SEM and WAXRD}, journal = {Carbohydrate Polymers}, volume = {71}, number = {4}, year = {2008}, month = {MAR}, pages = {698-702}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Metal complexes of salts of Hg, Cu, Cd, Pb, Zn, and Mn with chitosan and crosslinked chitosans were prepared, and their morphologies were studied using scanning electron microscopy and wide angle X-ray diffraction. The metal ions which were specifically and strongly complexed to the amino functions of chitosans, like Hg, showed smooth surface morphology inspite of large number of ions complexed (372 mg/g of chitosan). The presence of metal ions on the surface of the chitosans could be detected with decrease in metal ion binding, in the following sequence Hg \> Cu \> Cd \> Zn \> Pb \> Mn. Particularly in the case of Pb ions, the presence of these ions is clearly seen on the surface of the polymer by SEM. The number of ions of Mn complexed on the polymers was too few (5 mg/g of chitosan) to be visible. SEM of Hg and Cu complexes do not show the {\textquoteleft}{\textquoteleft}holes{\textquoteright}{\textquoteright} observed in the crosslinked polymers as they bind specifically to amino groups of chitosan, but for Cd, Zn, Mn, and Pb complexes, these {\textquoteleft}{\textquoteleft}holes{\textquoteright}{\textquoteright} are clearly visible. These results are also in agreement with the morphologies studied by WAXRD. The metal complexation data for each of these metal ions was also in the same sequence. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Chitosan, Crosslinked chitosan, metal complex, Morphology, SEM, WAXRD}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2007.07.010}, author = {Trimukhe, K. D. and Varma, Anjanikumar} } @article {43320, title = {Multiple weak supramolecular interactions stabilize a surprisingly twisted As2L3 assembly}, journal = {Chemical Communications}, year = {2008}, month = {OCT}, pages = {3936 - 3938}, abstract = {A combined crystallographic, DFT and NMR spectroscopic study of a flexible As(2)(3) assembly reveals temperature dependent conformational behavior in solution and a highly asymmetric structure stabilized by As-pi and edge-to-face aromatic interactions.}, doi = {10.1039/b806958a}, author = {Pitt, Melanie A. and Zakharov, Lev N. and Vanka, Kumar and Thompson, Ward H. and Laird, Brian B. and Johnson, Darren W.} } @article {43318, title = {Multipoint anchoring of the [2.2.2.2]metacyclophane motif to a gold surface via self-assembly: coordination chemistry of a cyclic tetraisocyanide revisited}, journal = {Inorganic Chemistry}, volume = {47}, year = {2008}, month = {MAY}, pages = {3284-91}, abstract = {A one-pot transformation of bis(2-isocyano-3-methylphenyl)ethane affords gram quantities of 8,16,24,32-tetraisocyano[2.2.2.2]metacyclophane ( 3). The solid state structure of 3 is remarkably close to the lowest energy conformation found on the potential energy landscape for 3 by DFT. In solution, the structure of metacyclophane 3 is mobile but can be locked in a rectangular gauche- anti- gauche- anti conformation by coordination of the isocyanide substituents to the [W(CO) 5] units to give [M] 4(mu 4-eta (1):eta (1):eta (1):eta (1)- 3) ( 5). The tetranuclear [M] 4(mu 4-eta (1):eta (1):eta (1):eta (1)- 3) motif featured in crystallographically characterized 5 may be present in several insoluble complexes of 3 previously described as mononuclear eta (4) species. A self-assembled monolayer of metacyclophane 3 is formed upon exposing a solution of 3 to the gold(111) surface with no precautions to exclude air or light. The monolayer nature of the film was confirmed by optical ellipsometry. The isocyanide stretching band for 3 shifts from 2119 cm (-1) in solution to 2175 cm (-1) upon chemisorption to metallic gold. The FTIR spectrum of the film indicates interaction of 3 with the gold surface via all four of its isocyanide anchors. No gold-facilitated oxidation of the -NC junctions was detected under ambient conditions. The energy cost associated with accessing the conformations of 3 suitable for mu 4-eta (1):eta (1):eta (1):eta (1) interaction of the molecule with the Au(111) surface is under 8 kcal/mol, a value that can be easily offset by formation of a gold-isocyanide bond. Two different mu 4-eta (1):eta (1):eta (1):eta (1) coordination arrangements of 3 with respect to gold atoms on the (111) face of the fcc Au lattice are suggested.}, doi = {10.1021/ic702401b}, author = {Toriyama, Masaharu and Maher, Tiffany R. and Holovics, Thomas C. and Vanka, Kumar and Day, Victor W. and Berrie, Cindy L. and Thompson, Ward H. and Barybin, Mikhail V.} } @article { ISI:000259140700055, title = {N-doped TiO2 nanoparticle based visible light photocatalyst by modified peroxide sol-gel method}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {37}, year = {2008}, month = {SEP}, pages = {14595-14602}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The peroxide gel route is employed to synthesize N-doped TiO2 nanoparticles (NP) at low temperature using titanium tetraisopropoxide, ethylmethylamine, and hydrogen peroxide as precursors. Structural studies show anatase phase in the undoped titania NPs as well as at 5 at. \% N-doped titania NPs, although with a degree of matrix disorder in the latter case. The annealing of N-doped titania NPs at different temperatures shows that above 400 degrees C nitrogen escapes the O-Ti-O matrix and at 500 degrees C the sample becomes crystalline. Transmission electron microscopy reveals that the particle size is in the range of 20-30 nm for the undoped TiO2 but only 5-10 nm for N-doped TiO2. At higher nitrogen concentration (10 at. \%) bubble-like agglomerates form. FTIR and photoluminescence quenching also confirm the incorporation of nitrogen in anatase TiO2. Optical properties reveal an extended tailing of the absorption edge toward the visible region upon nitrogen doping. X-ray photoelectron spectroscopy is used to examine the electronic state of doped nitrogen and the associated possible electronic modification of the TiO2 matrix. Under visible light irradiation the undoped TiO2 NPs do not show any significant photocatalytic activity, as expected; however, the 5 at. \% N-doped TiO2 NPs show excellent activity.

}, issn = {1932-7447}, doi = {10.1021/jp803567f}, author = {Jagadale, Tushar C. and Takale, Shrikant P. and Sonawane, Ravindra S. and Joshi, Hrushikesh M. and Patil, Shankar I. and Kale, Bharat B. and Ogale, Satishchandra B.} } @article { ISI:000254004400057, title = {New poly(phenylene oxide)/polystyrene blend nanocomposites with clay: intercalation, thermal and mechanical properties}, journal = {Journal of Applied Polymer Science}, volume = {108}, number = {3}, year = {2008}, month = {MAY}, pages = {1818-1828}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {mechanical properties, Nanocomposites, organoclay, poly(phenylene oxide), Polystyrene, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.27743}, author = {Tiwari, Rajkiran R. and Khilar, Kartic C. and Natarajan, Upendra} } @article { ISI:000258370500013, title = {New route for preparation of luminescent mercaptoethanoate capped cadmium selenide quantum dots}, journal = {Bulletin of Materials Science}, volume = {31}, number = {3}, year = {2008}, note = {National Review and Coordination Meeting on Nanoscience and Nanotechnology, Hyderabad, INDIA, 2007}, month = {JUN}, pages = {291-296}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {chalcogenides, Chemical synthesis, photoluminescence, semiconductor quantum dots}, issn = {0250-4707}, doi = {10.1007/s12034-008-0047-8}, author = {Wankhede, Manoj E. and Inamdar, Shaukatali N. and Deshpande, Aparna and Thete, Aniket R. and Pasricha, Renu and Kulkarni, Sulabha K. and Harani, Santosh K.} } @article { ISI:000255455300004, title = {Reaction kinetics of liquid phase air oxidation of p-cresol to p-hydroxybenzaldehyde}, journal = {Applied Catalysis A-General}, volume = {339}, number = {1}, year = {2008}, month = {APR}, pages = {28-35}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The kinetics of liquid phase oxidation of p-cresol to p-hydroxybenzaldehyde has been investigated using insoluble cobalt oxide (CO3O4) catalyst at oxygen partial pressures in the range 0.1-1.5 MPa, reaction temperatures 333-393 K, p-cresol concentrations 0.49-1.53 kmol/m(3) and catalyst loadings 0.38-3.03 kg/m(3). The effects of oxygen partial pressure, reaction temperature, p-cresol concentration and catalyst loading on the initial rate of reaction have been studied. The initial rate varied linearly with catalyst loading up to 1.5 kg/m(3) beyond which it was independent of the catalyst loading while first-order dependence was observed with variation in oxygen partial pressure. A rate expression has been proposed considering Langmuir-Hinshelwood (LH) type mechanism, based on the initial rate data. A batch reactor model was also developed based on the kinetics studied and the concentration time profile predicted by the model was in good agreement with the experimental data. The activation energy for the liquid phase oxidation of p-cresol was found to be 39.6 kJ/mol. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Co3O4, kinetics, p-cresol oxidation, XPS, XRD}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.01.006}, author = {Kshirsagar, V. S. and Nadgeri, J. M. and Tayade, P. R. and Rode, C. V.} } @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:000252354300005, title = {Study of a laboratory-scale froth flotation process using artificial neural networks}, journal = {Mineral Processing and Extractive Metallurgy Review}, volume = {29}, number = {2}, year = {2008}, month = {DEC}, pages = {130-142}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

}, keywords = {back propagation algorithm, froth flotation, laboratory-scale, neural network}, issn = {0882-7508}, doi = {10.1080/08827500701421912}, author = {Kalyani, V. K. and Pallavika and Chaudhuri, Sanjay and Charan, T. Gouri and Haldar, D. D. and Kamal, K. P. and Badhe, Yogesh P. and Tambe, S. S. and Kulkarni, B. D.} } @article { ISI:000253740900005, title = {Synthesis and characterization of novel organo-montmorillonites}, journal = {Applied Clay Science}, volume = {38}, number = {3-4}, year = {2008}, month = {FEB}, pages = {203-208}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Montmorillonite, organo-clays, organo-montmorillonite, surfactant}, issn = {0169-1317}, doi = {10.1016/j.clay.2007.05.008}, author = {Tiwari, Rajkiran R. and Khilar, Kartic C. and Natarajan, Upendra} } @article { ISI:000259972800039, title = {Synthesis of chimeric tetrapeptide-linked cholic acid derivatives: impending synergistic agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {18}, number = {20}, year = {2008}, month = {OCT}, pages = {5512-5517}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Antimicrobial activity, Cholic acid, Cytotoxicity, Synergism, Tetrapeptide}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.09.013}, author = {Bavikar, Sudhir N. and Salunke, Deepak B. and Hazra, Braja G. and Pore, Vandana S. and Dodd, Robert H. and Thierry, Josiane and Shirazi, Fazal and Deshpande, Mukund V. and Kadreppa, Sreenath and Chattopadhyay, Samit} } @article { ISI:000259922200004, title = {Tetranuclear manganese (III) salicylaldoxime ensemble}, journal = {Structural Chemistry }, volume = {19}, number = {5}, year = {2008}, month = {OCT}, pages = {735-740}, type = {Article}, abstract = {Crystal structure of {[Mn(salicylaldoximeH)(salicylaldoxime)](4)} center dot 3CHCl(3) 1 formed by the interaction of MnCl2 center dot 4H(2)O and salicylaldoxime in a 1:1 ratio is described. The compound crystallizes in the orthorhombic space group Pbca (No 61) with the lattice parameters; a = 27.769 (3), b = 22.672 (2), c = 21.650 (2) angstrom, V = 13630 (2) angstrom(3), Z = 8, R-1 = 0.0776, wR(2) = 0.2356, S = 1.164. The cluster with four Mn (III) centers formed by four terminal and four bridging salicylaldoxime ligands results in a central rotating wheel-like core with the Mn-Mn separation varying from 3.531 to 3.576 angstrom and with the diagonal distances being 4.156-4.165 angstrom. Four intramolecular H-bonds between a terminal oxime (NOH) group and the adjacent phenolate oxygen atom of another ligand stabilize the structure of the cluster. Spectral, magnetic, and cyclic voltammetry studies corroborate a stable Mn (III) tetramer.}, author = {Kumbhar, Avinash S. and Mulay, Mahesh P. and Padhye, Subhash B. and Tavale, Sudam S. and Puranik, Vedavati G.} } @article { ISI:000255313300010, title = {Thermal and mechanical properties of melt processed intercalated poly(methyl methacrylate)-organoclay nanocomposites over a wide range of filler loading}, journal = {Polymer International}, volume = {57}, number = {5}, year = {2008}, month = {MAY}, pages = {738-743}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

BACKGROUND: Poly(methyl methacrylate) (PMMA)-organoclay nanocomposites with octadecylammonium, ion-modified montmorillonite, prepared via melt processing, over a wide range of filler loading (2-16 wt\%) were investigated in detail. These hybrids were characterized for their dispersion structure, and thermal and mechanical properties, such as tensile modulus (E). break stress (sigma(brk)), percent break strain (epsilon(brk)) and ductility(J), using wide-angle X-ray diffraction, transmission electron microscopy, differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and tensile and impact tests. RESULTS: Intercalated nanocomposites were formed even in the presence of 16 wt\% clay (high loading) in PMMA matrix. PMMA intercalated into the galleries of the organically modified clay, with a change in d-spacing in the range 11-16 angstrom. TGA results showed improved thermal stability of the nanocomposites. The glass transition temperature (T-g) of the nanocomposites, from DSC measurements, was 2-3 degrees C higher than that of PMMA. The ultimate tensile strength and impact strength decreased with increasing clay fraction. Tensile modulus for the nanocomposites increased by a significant amount (113\%) at the highest level of clay fraction (16 wt\%) studied. CONCLUSION: We show for the first time the formation of intercalated PMMA nanocomposites with alkylammonium-modified clays at high clay loadings (\> 15wt\%). Tensile modulus increases linearly with clay fraction, and the enhancement in modulus is significant. A linear correlation between tensile strength and strainat-break is shown. Thermal properties are not affected appreciably. Organoclay can be dispersed well even at high clay fractions to form nanocomposites with superior bulk properties of practical interest. (c) 2007 Society of Chemical Industry.

}, keywords = {impact strength, mechanical properties, Nanocomposites, PMMA, Thermal properties}, issn = {0959-8103}, doi = {10.1002/pi.2402}, author = {Tiwari, Rajkiran R. and Natarajan, Upendra} } @article { ISI:000260843700019, title = {Total synthesis of (+)-isolaurepan}, journal = {Tetrahedron Letters}, volume = {49}, number = {49}, year = {2008}, month = {DEC}, pages = {7012-7014}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A versatile and efficient method for the enantioselective synthesis of 2,7-cis-disubstituted oxepane 1c, (+)-isolaurepan, using oxidative resolution of a secondary alcohol and highly diastereoselective Et(3)SiH/TMSOTf-promoted reductive cyclization of a hydroxy ketone is described. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Cis-selective cyclization, Cyclic ethers, Isolaurepan, Oxepanes, Oxidative resolution of secondary alcohols}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.09.134}, author = {Tripathi, Divya and Kumar, Pradeep} } @article { ISI:000259381200014, title = {Unusual temperature dependence of salt effects for {\textquoteleft}{\textquoteleft}on water{\textquoteright}{\textquoteright} wittig reaction: hydrophobicity at the interface}, journal = {Chemical Communications}, number = {37}, year = {2008}, month = {MAY}, pages = {4445-4447}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An unusual variation with temperature of the salt effects in aqueous Wittig reaction is observed, suggesting that hydrophobic acceleration of reactions comprising {\textquoteleft}{\textquoteleft}on water{\textquoteright}{\textquoteright} reactants is fundamentally different from that for reactions with small non-polar solutes.

}, issn = {1359-7345}, doi = {10.1039/b809127g}, author = {Tiwari, Shraeddha and Kumar, Anil} } @article { ISI:000258293100059, title = {Use of enantiomerically pure 7-azabicyclo[2.2.1]heptan-2-ol as a chiral template for the synthesis of aminocyclitols}, journal = {Organic Letters}, volume = {10}, number = {16}, year = {2008}, month = {AUG}, pages = {3611-3614}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Using enantiopure 7-azabicyclo[2.2.1]heptane-2-ol, the synthesis of cis- as well as trans-2-aminocyclohexanols, dihydroconduramine E-1, and ent-conduramine F-1 has been described.

}, issn = {1523-7060}, doi = {10.1021/ol801381t}, author = {Pandey, Ganesh and Tiwari, Keshri Nath and Puranik, Vedavati G.} } @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 { 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:000269655000076, title = {Azoic dye hosted in layered double hydroxide: physicochemical characterization of the intercalated materials}, journal = {Langmuir}, volume = {25}, number = {18}, year = {2009}, month = {SEP}, pages = {10980-10986}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Intercalation compounds were obtained by introduction of guest methyl orange (MO) into the interlayer space of host Mg/Al and Ni/Al layered double hydroxides (LDHs). Three synthesis methods of organic anion-LDH intercalation compounds, i.e., coprecipitation, reconstruction of the M(II)(Al)O mixed oxides, and anion exchange of LDH were compared. The former Method gives rise to a highly organized MO-intercalated Mg/Al LDH with an interlayer spacing of 2.43 rim and up to seven (001) reflection orders. Reconstruction or the mixed oxide by intercalation with MO in the restored LDH was only achieved with Mg(Al)O. In this case. a competitive adsorption of MO on the external Surface Of the crystals was also seen. On the other hand, intercalation compounds exhibiting interlayer spacing of 2.43 run were obtained with both Mg- and Ni-containing LDH using the anionic exchange method. The equilibrium and kinetic adsorption properties of the compounds were analyzed by UV-visible spectroscopy in anionic exchange experiments. According to the pseudo-second-order adsorption model, the amounts of adsorbed MO reach 3.82 and 2.83 mequiv/g for Mg- and Ni-containing LDHs, respectively, which are close to their respective anionic exchange capacity. The adsorption rates are on the same order of magnitude for the two LDHs (0.10-0.44 g mmol(-1) min(-1)), the equilibrium being reached in less than 60 min. The decomposition of MO by combustion of the organic moieties under an oxidizing atmosphere is delayed in Mg-containing MO-LDH hybrids when compared to the free MO molecule, showing that the thermal stability of MO species is enhanced after intercalation. In Ni-containing LDH, the main decomposition step of MO occurs 300 degrees C below that of Mg-containing LDH. This was rationalized in terms of a catalysis by the Ni-containing oxides formed during the thermal treatment. So these materials exhibit several advantage useful for the development of eco-friendly processes for the removal Of dyes from effluents of textile, plastic, and paper industries.

}, issn = {0743-7463}, doi = {10.1021/la901201s}, author = {Mandal, Sujata and Tichit, Didier and Lerner, Dan A. and Marcotte, Nathalie} } @article { ISI:000270665200029, title = {Catalytic aerobic oxidation of cyclohexane and ethyl benzene over chromium-containing mesoporous organosilicas}, journal = {Catalysis Letters}, volume = {132}, number = {3-4}, year = {2009}, month = {OCT}, pages = {492-499}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Chromium-containing ethane-bridged hybrid periodic mesoporous organosilicas (Cr-PMO) were synthesized using 1,2-bis(triethoxysilyl) ethane (BTEE) and tetraethyl orthosilicate (TEOS) as silica sources and alkyltrimethyl ammonium salts as surfactants by two different synthesis routes. PXRD and N(2) adsorption-desorption analysis shows that the original structure of the materials is maintained after chromium substitution while spectroscopic study proves the incorporation of chromium in the frame wall positions and show the existence of Cr(2)O(3) species in the mixed silica source (BTEE-TEOS) synthesized chromium samples. The catalytic activity of the newly developed chromium samples was evaluated in the liquid phase oxidation of cyclohexane and ethylbenzene using air as an oxidant. Further, the Cr-PMO samples exhibited better cyclohexane conversion and cyclohexanone selectivity than the conventional Cr-MCM-41 and other metal-containing MCM-41 samples. The exceptional activity of the new chromium-containing molecular sieves is attributed to the hydrophobicity of the materials and to the complementary structural features that facilitates the accessibility of substrate to the active framework chromium sites.

}, keywords = {Cr-MCM-41, Cyclohexane, Ethyl benzene, Organosilicas, Oxidation}, issn = {1011-372X}, doi = {10.1007/s10562-009-0121-x}, author = {Singh, A. P. and Torita, N. and Shylesh, S. and Iwasa, N. and Arai, M.} } @article { ISI: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:000262440400015, title = {Composites of plasma treated poly(etherimide) films with gold nanoparticles and lysine through layer by layer assembly: a {\textquoteleft}{\textquoteleft}friendly-rough{\textquoteright}{\textquoteright} surface for cell adhesion and proliferation for tissue engineering applications}, journal = {Journal of Materials Chemistry}, volume = {19}, number = {4}, year = {2009}, month = {DEC}, pages = {544-550}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A composite film fabricated by plasma treated poly(etherimide) with subsequent deposition of gold nanoparticles and lysine using layer by layer assembly has been demonstrated to be good for cell attachment and proliferation making it an attractive strategy for tissue engineering applications. As compared to the other methods the decrease in contact angle obtained here does not depend much on the plasma treatment thus affecting the polymer structure minimally. A combination of surface roughness provided by the gold nanoparticles and the presence of amine groups of lysine is hypothesized to be the reason for the features observed.

}, issn = {0959-9428}, doi = {10.1039/b817231e}, author = {D{\textquoteright}Britto, Virginia and Tiwari, S. and Purohit, V. and Wadgaonkar, P. P. and Bhoraskar, S. V. and Bhonde, Ramesh R. and Bhagavatula L. V. Prasad} } @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: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:000267070700046, title = {Enantioselective total synthesis of (2S,3R,4R)-D-xylo-phytosphingosine from substituted azetidin-2-one}, journal = {Tetrahedron Letters}, volume = {50}, number = {26}, year = {2009}, month = {JUL}, pages = {3296-3298}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Enantiomerically pure (2S,3R,4R)-D-xylo phytosphingosine is synthesized in 36\% overall yield in seven steps from known beta-lactam (8) derived from D-mannitol triacetonide. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {beta-lactam, Enantioselective synthesis, Sphingosine, Wittig reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.02.050}, author = {Pandey, Ganesh and Tiwari, Dharmendra Kumar} } @article { ISI:000264471400009, title = {General approach to medium-sized ring ethers via hydrolytic and oxidative kinetic resolutions: stereoselective syntheses of (-)-cis-lauthisan and (+)-isolaurepan}, journal = {Tetrahedron}, volume = {65}, number = {11}, year = {2009}, month = {MAR}, pages = {2226-2231}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and enantioselective approach to medium ring ethers and its application to the syntheses of (-)-cis-lauthisan and (+)-isolaurepan are described. The synthetic strategy features Jacobson{\textquoteright}s Hydrolytic Kinetic Resolution (HKR), oxidative resolution of secondary alcohol, and highly diastereoselective Et(3)SiH/TMSOTf-promoted reductive cyclization of a hydroxy ketone to give exclusively the different medium-sized cis-disubstituted cyclic ethers. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {cis-Reductive cyclization, Jacobson{\textquoteright}s Hydrolytic Kinetic Resolution (HKR), Oxepanes, Oxidative resolution of secondary alcohol, Ring ether}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.01.062}, author = {Tripathi, Divya and Pandey, Satyendra Kumar and Kumar, Pradeep} } @article { ISI:000267619700020, title = {Influence of hormones and medium components on expression of dipyranocoumarins in cell suspension cultures of calophyllum inophyllum L.}, journal = {Process Biochemistry}, volume = {44}, number = {8}, year = {2009}, month = {AUG}, pages = {916-922}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Cell suspension cultures were initiated separately from leaf and nodal/internodal calluses for the study of influence of hormones and medium components on biomass growth and expression of dipyranocoumarins. Highest 6.2 times biomass was enhanced in suspension cultures of nodal/internodal callus supplemented with threefold total sulphate. Picloram 8.28 mu M along with BAP 8.88 mu M enhanced 295.05 times inophyllum A in suspension cultures of leaf callus whereas IBA 14.70 mu M along with BAP 4.44 mu M in suspension cultures of leaf callus enhanced 1065 times inophyllum B. IBA 4.90 mu M alone in suspension cultures of nodal/internodal callus enhanced maximum 616 times inophyllum C. Only IBA 9.80 mu M in suspension cultures of leaf callus enhanced 23.22 times inophyllum P. Variation in nitrate and sulphate had maximum positive influence on expression of inophyllums A and C and vitamins had maximum positive influence on expression of inophyllums A, C and B. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Calophyllum inophyllum, dipyranocoumarins, Expression pattern, HPLC, Medium components, Suspension culture}, issn = {1359-5113}, doi = {10.1016/j.procbio.2009.03.005}, author = {Pawar, Kiran D. and Thengane, Shubhada Ratnakar} } @article { ISI:000272338600007, title = {Interfacial reactivity of {\textquoteleft}{\textquoteleft}on water{\textquoteright}{\textquoteright} reactions in the presence of alcoholic cosolvents}, journal = {Journal of Physical Chemistry A}, volume = {113}, number = {49}, year = {2009}, month = {DEC}, pages = {13685-13693}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A detailed study of the variation in the interfacial reactivity and selectivity of {\textquoteleft}{\textquoteleft}on water{\textquoteright}{\textquoteright} reactions in the presence of increasing amounts of alcoholic cosolvents is discussed in the present work. The initial increase in the rates of {\textquoteleft}{\textquoteleft}on water{\textquoteright}{\textquoteright} reactions on the addition of alcoholic cosolvents is contrary to the sharp decrease in rates observed for homogeneous aqueous reactions. The existing theoretical framework is presented in terms of a typical {\textquoteleft}{\textquoteleft}on water{\textquoteright}{\textquoteright} process to enable a discussion of the experimental observations with reference to changing composition of the reaction medium. On the basis of the interesting observations of reactivity and selectivity variations with composition of the reaction medium, a simple {\textquoteleft}{\textquoteleft}signature{\textquoteright}{\textquoteright} characteristic for {\textquoteleft}{\textquoteleft}on water{\textquoteright}{\textquoteright} reactions is proposed.

}, issn = {1089-5639}, doi = {10.1021/jp906281g}, author = {Tiwari, Shraeddha and Kumar, Anil} } @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:000260148600010, title = {Metal complexes of crosslinked chitosans: correlations between metal ion complexation values and thermal properties}, journal = {Carbohydrate Polymers}, volume = {75}, number = {1}, year = {2009}, month = {JAN}, pages = {63-70}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A series of heavy metal complexes of crosslinked chitosans were evaluated by thermogravimetric studies. The metal complexes with Cu, Cd and Hg ions exhibiting the highest complexing ability to chitosans (Hg 354-364, Cu 100-112, and Cd 121-160, in mg/g chitosan), had the lowest onset of degradation temperatures (range 194-210 degrees C) and the lowest final degradation temperatures (generally less than 294-304 degrees C for Hg, 296-338 degrees C for Cu, and 305-368 degrees C for Cd complexes). Mn ion, with the lowest binding to chitosans (Mn 5-7 mg/g), showed the reverse behavior, having onset (240-248 degrees C) and final degradation temperatures (range 300-368 degrees C). Zn (binding 74-87 mg/g) and Pb (binding 39-62 mg/g) ions have a binding ability intermediate to Cu/Cd/Hg and Mn extremes, and therefore the effects on onset and final degradation temperatures are intermediate to these values. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Chitosan, Crosslinked chitosan, Degradation temperature, Metal complexes, Thermal properties, Thermogravimetry}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2008.06.011}, author = {Trimukhe, K. D. and Varma, Anjanikumar} } @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:000266529600001, title = {Nanoscale particles for polymer degradation and stabilization-trends and future perspectives}, journal = {Progress in Polymer Science}, volume = {34}, number = {6}, year = {2009}, month = {JUN}, pages = {479-515}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The field of nanoscience and nanotechnology is extending the applications of physics, chemistry, biology, engineering and technology into previously unapproached infinitesimal length scales. The polymer-nanoparticles/nanocomposites have been the exponentially growing field of research for developing the materials in last few decades and have been mainly focusing on the structure-property relationships and their development. Since the polymer-nanocomposites have been the staple of modern polymer industry, their durability under various environmental conditions and degradability after their service life are also essential fields of research. Thus, this article is intended to review the status of worldwide research in this aspect. Among various nanoparticulates, clay minerals and carbon nanotubes are more often used in enhancing physical, mechanical and thermal properties of polymers. In very few systems, the nano particulates have been incorporated into polymer as {\textquoteleft}nano-additives{\textquoteright} for both purposes: degradation and stabilization of polymers. The degradation and durability of polymers is reviewed in the presence of nanoparticles/nanocomposites under different environmental conditions. Nanoparticle-induced biodegradation of polymers is also discussed. (c) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon nanotubes, clay, Degradation and stabilization, Nanocomposites, Nanoparticles, Polymer}, issn = {0079-6700}, doi = {10.1016/j.progpolymsci.2009.01.002}, author = {Kumar, Annamalai Pratheep and Depan, Dilip and Tomer, Namrata Singh and Singh, Raj Pal} } @article { ISI: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:000272083700044, title = {Orthogonal activation of propargyl and n-pentenyl glycosides and 1,2-orthoesters}, journal = {Journal of Organic Chemistry}, volume = {74}, number = {23}, year = {2009}, month = {DEC}, pages = {9233-9236}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An orthogonal activation strategy with propargyl and n-pentenyl glycosides has been identified. According to this methodology, n-pentenyl glycosides can be selectively activated with NIS/TMSOTf in the presence of either armed or disarmed propargyl O-glycosides. In addition, we report herein that propargyl 1,2-orthoesters can be selectively activated with AuBr(3) in CH(2)Cl(2) at room temperature in the presence of n-pentenyl glycosides. Similarly, pentenyl 1,2-orthoesters can be selectively activated with NIS/Yb(OTf)(3) in the presence of propargyl glycosides.

}, issn = {0022-3263}, doi = {10.1021/jo901837z}, author = {Vidadala, Srinivasa Rao and Thadke, Shivaji A. and Hotha, Srinivas} } @article {42456, title = {Polymeric ladderphanes}, journal = {Journal of the American Chemical Society}, volume = {131}, year = {2009}, month = {AUG}, pages = {12579{\textendash}12585}, abstract = {

A new class of polymers, which have a double-stranded polybinorbornene skeleton with multilayer planar oligoaryl linkers, defined as polymeric ladderphanes, are synthesized. The structures of these ladderphanes are determined by spectroscopic means. Photophysical studies and time-resolved fluorescence spectroscopic investigations reveal that there is a strong interaction between the chromophore linkers. Thus, Soret band splitting in the absorption spectrum of the polymer with porphyrin linker (12e), significant fluorescence quenching with oligoaryl linkers (12b-d), and excimer emission with a terphenylene-diethynylene linker (12a) are characteristic photophysical properties of these polymers. Scanning tunneling microscopy shows that polymers 12b and d exhibit a ladder-like morphology and form a supramolecular assembly leading to a two-dimensional ordered array on a highly oriented pyrolytic graphite surface.

}, doi = {10.1021/ja9035362}, author = {Chou, Chih-Ming and Lee, Shern-Long and Chen, Chih-Hsien and Biju, Akkattu T. and Wang, Hsian-Wen and Wu, Yi-Lin and Zhang, Guo-Fu and Yang, Kuang-Wei and Lim, Tsong-Shin and Huang, Min-Jie and Tsai, Po-Yu and Lin, Kin-Chuan and Huang, Shou-Ling and Chen, Chun-hsien and Luh, Tien-Yau} } @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: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: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:000267546200006, title = {Structural characterization of azoic dye hosted layered double hydroxides}, journal = {Zeitschrift fur Kristallographie}, volume = {224}, number = {5-6}, year = {2009}, month = {JAN}, pages = {282-286}, publisher = {OLDENBOURG VERLAG}, address = {LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY}, abstract = {

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

}, keywords = {Anionic exchange, Depollution, layered double hydroxides, Methyl orange, X-ray diffraction}, issn = {0044-2968}, doi = {10.1524/zkri.2009.1150}, author = {Mandal, Sujata and Lerner, Dan A. and Marcotte, Nathalie and Tichit, Didier} } @article { ISI: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:000208013800005, title = {Superparamagnetic nanocomposite of magnetite and activated carbon for removal of dyes from waste water}, journal = {Nanoscience and Nanotechnology Letters}, volume = {1}, number = {3}, year = {2009}, month = {DEC}, pages = {171-175}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

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

}, keywords = {Magnetic Separation, Nanocomposite, Superparamagnetism, Water Purification}, issn = {1941-4900}, doi = {10.1166/nnl.2009.1031}, author = {Thakuria, Pankaj and Joy, Pattayil Alias} } @article { ISI:000264024200006, title = {Supramolecular synthesis of some molecular adducts of 4,4 {\textquoteleft}-bipyridine N,N {\textquoteleft}-dioxide}, journal = {New Journal of Chemistry}, volume = {33}, number = {1}, year = {2009}, month = {OCT}, pages = {57-63}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

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

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

}, issn = {1612-1872}, author = {Gurulingappa, Hallur and Tare, Vrushali and Pawar, Pushpa and Tungikar, Vijay and Jorapur, Yogesh R. and Madhavi, Sriram and Bhat, Sujata V.} } @article { ISI:000265237700014, title = {Synthesis, characterization and catalytic performance of Sn-MCM-48 in solvent-free Mukaiyama-type aldol condensation reactions}, journal = {Applied Catalysis A-General}, volume = {358}, number = {1}, year = {2009}, month = {APR}, pages = {88-94}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Characterization, heterogeneous catalysis, Hydrothermal synthesis, Mesoporous molecular sieves, Mukaiyama-aldol condensation, Sn-MCM-48}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.02.001}, author = {Taralkar, U. S. and Kalita, Pranjal and Kumar, Rajiv and Joshi, P. N.} } @article { ISI:000267367300016, title = {Synthesis of Si-MCM-41 from ternary SiO2-CTAOH-H2O system via dry gel conversion route}, journal = {Journal of Sol-Gel Science and Technology}, volume = {51}, number = {2}, year = {2009}, month = {AUG}, pages = {244-250}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {Dry gel conversion, powder diffraction, Si-MCM-41, Sol-gel growth, Structural stability, Textural properties}, issn = {0928-0707}, doi = {10.1007/s10971-009-1969-3}, author = {Taralkar, U. S. and Niphadkar, P. S. and Joshi, P. N.} } @article { ISI:000264558200004, title = {Visible light induced photoreduction of methyl orange by N-doped mesoporous titania}, journal = {Applied Catalysis A-General}, volume = {357}, number = {1}, year = {2009}, month = {MAR}, pages = {26-33}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

N-doped mesoporous titania was synthesized using templating method. Biopolymer chitosan was used as a template and also as a nitrogen source along with ammonium hydroxide. Three different types of N-doped mesoporous titania were synthesized by varying composition of chitosan and titania precursor. These photocatalysts were characterized using XRD, BET-SA, FTIR, UV-DRS, SEM-EDX and XPS analysis. The photocatalytic activity of mesoporous titania was studied by methyl orange (MO) photoreduction reaction. From the experimental results it was observed that the N-doped mesoporous titania (1:2) gives the highest photocatalytic reduction of MO as compared to N-doped mesoporous titania prepared with (1:1) and (1:3) stoichiometry. This could be due to the optimal level of {\textquoteleft}N{\textquoteright} incorporation in the N-doped mesoporous titania (1:2). Photocatalysts reduce the MO dye into derivative of hydrazine. Photoactivity of N-doped mesoporous titania (1:2) is 1.0721 mg of MO reduced per g of TiO2 vis-a-vis 0.508 mg of MO reduced per g of TiO2 for Degussa P25 photocatalyst. The effect of various operating parameters like photocatalyst loading. initial concentration and intensity of light also has been studied. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {biopolymer, Chitosan, MO photoreduction, N-doped mesoporous titania, Visible active photocatalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.12.030}, author = {Joshi, Meenal M. and Labhsetwar, Nitin K. and Mangrulkar, Priti A. and Tijare, Saumitra N. and Kamble, Sanjay P. and Rayalu, Sadhana S.} } @article { ISI:000262449000038, title = {VLS-like growth and characterizations of dense ZnO nanorods grown by e-beam process}, journal = {Journal of Physics D-Applied Physics}, volume = {42}, number = {3}, year = {2009}, month = {FEB}, pages = {035310}, publisher = {IOP PUBLISHING LTD}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

We present a new approach to produce ZnO nanorods in a reproducible manner at a temperature lower than other physical vapour deposition techniques, such as the vapour-liquid-solid mechanism. Arrays of well-aligned ZnO nanorods of uniform diameter have been synthesized on the Si substrate precoated with Au, using a simple electron beam evaporation method without the flow of any carrier gas. Scanning electron microscopy and atomic force microscopy characterizations show that as-grown nanorods are well aligned and uniform in diameter. X-ray diffraction measurements and clear lattice fringes in high-resolution transmission electron microscopy image show the growth of good quality polycrystalline hexagonal ZnO nanorods and a \< 0 0 2 \> growth direction. The polarization-dependent studies of near edge x-ray absorption fine structure (NEXAFS) are performed to investigate the electronic structure of the zinc and oxygen ions. The analysis of NEXAFS spectra at different angles of incidence of photon flux indicates the formation of ZnO nanorods having anisotropic behaviour of O and Zn states. The photoluminescence spectrum exhibits strong ultraviolet emission at 385 nm and the UV-visible spectrum also shows a band-gap transition around 390 nm indicating the good quality of nanorods. The catalytic growth mechanism of the ZnO nanorods is discussed on the basis of experimental results in this work.

}, issn = {0022-3727}, doi = {10.1088/0022-3727/42/3/035310}, author = {Agarwal, Dinesh C. and Chauhan, R. S. and Avasthi, D. K. and Sulania, I. and Kabiraj, D. and Thakur, P. and Chae, K. H. and Chawla, Amit and Chandra, Ramesh and Ogale, S. B. and Pellegrini, G. and Mazzoldi, P.} } @article { ISI: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 {42798, title = {Amino-phenol-formaldehyde resins by in-situ generation of catalyst}, number = {2536/DEL}, year = {2010}, month = {JAN}, 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 Chelanattukizhakkemadath, Raman Rajan and Tayal, Rajivkumar and Qureshi, Moham} } @article {42799, title = {Beaded cross linked polymers containing tert-amino functional group moities}, number = {2537/DEL}, year = {2010}, month = {DEC}, 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 Chelanattukizhakkemadath, Raman Rajan and Tayal, Rajivkumar and Qureshi, Moham} } @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: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:000284052600021, title = {Covalently immobilized triphenylphosphine rhodium complex: synthesis, characterization, and application in catalytic olefin hydrogenation}, journal = {Chemcatchem}, volume = {2}, number = {11}, year = {2010}, month = {NOV}, pages = {1477-1482}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

A trimethoxysilane functionalized triphenylphosphine was coordinated to rhodium(I) and the resulting rhodium complex was covalently bound to a mesoporous SBA-15 support. The catalytic activity of this hybrid material was studied for the hydrogenation of 2-cyclohexen-1-one and compared with the corresponding homogeneous catalyst. According to the (31)P-MAS NMR data, the catalytically active species was stable against oxidation; no structural change could be detected after exposing it to air for more than two months. Transmission electron microscopy (TEM) measurements on the used catalyst confirmed that the rhodium species was also stable against reduction to the metal because the formation of rhodium nanoparticles during the catalysis could be excluded. The kinetic curves of the recycled system confirmed that this hybrid catalyst shows excellent activity, selectivity, stability, and reusability, and is truly heterogeneous in the hydrogenation reaction.

}, keywords = {alkenes, heterogeneous catalysis, Hydrogenation, mesoporous materials, Rhodium}, issn = {1867-3880}, doi = {10.1002/cctc.201000133}, author = {Wang, Lei and Jia, Mingjun and Shylesh, Sankaranarayanapillai and Philippi, Thomas and Seifert, Andreas and Ernst, Stefan and Singh, Anand Pal and Thiel, Werner R.} } @article { ISI: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: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:000283697400015, title = {Gold-catalyzed glycosidations: synthesis of 1,6-anhydro saccharides}, journal = {Tetrahedron Letters}, volume = {51}, number = {45}, year = {2010}, month = {NOV}, pages = {5912-5914}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Various 1,6-anhydro sugars are synthesized utilizing salient features of gold-catalyzed glycosidations. All the reactions occurred under mild conditions in the presence of 7 mol \% of AuBr(3) enabling easy synthesis of 1,6-anhydro sugars from corresponding 6-hydroxy propargyl/methyl monosaccharides, disaccharides, and trisaccharides in good yields. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.09.004}, author = {Thadke, Shivaji A. and Hotha, Srinivas} } @article { ISI:000283502100037, title = {High room temperature ferromagnetic moment of Ho substituted nanocrystalline BiFeO3}, journal = {Applied Physics Letters}, volume = {97}, number = {16}, year = {2010}, month = {OCT}, pages = {162504}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Magnetic properties of trivalent rare-earth ion substituted nanocrystalline BiFeO3 have been studied for the compositions Bi0.875R0.125FeO3 (R=La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, and Yb). All compositions show ferromagnetic characteristics at room temperature, with enhanced magnetization after substitution. Very high magnetization (at 6 T), almost three times that of the unsubstituted composition, is observed for R=Ho, and highest remnant magnetization is obtained for R=Nd and Sm. The magnetic transition temperature is increased by similar to 20 K for R=La. The results show that it is possible to tune the magnetic characteristics of the nanocrystalline multiferroic BiFeO3 by the choice of the rare-earth ion. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3502481]

}, issn = {0003-6951}, doi = {10.1063/1.3502481}, author = {Thakuria, Pankaj and Joy, Pattayil Alias} } @article { ISI:000280570900070, title = {Identification of two flavin monooxygenases from an effluent treatment plant sludge metagenomic library}, journal = {Bioresource Technology}, volume = {101}, number = {21}, year = {2010}, month = {NOV}, pages = {8481-8484}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Oxygenases are useful for the production of many industrially important molecules. Screening of an effluent treatment plant (ETP) sludge metagenomic library identified two clones encoding proteins, B1 and B2, with similarity to putative Flavin monooxygenases from Mesorhizobium loti and Sphingomonas wittichi, respectively. The deduced amino acid sequences show only 20\% identity, but both have a paired Rossman fold and a flavin monooxygenase (FMO) motif. B1 and B2 appear to be members of the Flavin-containing monooxygenase and the Baeyer-Villiger monooxygenases subfamilies, respectively. When expressed in Escherichia coli, the two clones produced activities that oxidized indole to a mixture of indigo and indirubin pigments. These results suggest that B1 and B2 have potential as a biocatalyst in indigo/indirubin production. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Indigo, Indirubin, Metagenome, Metagenomic, Monooxygenase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2010.06.025}, author = {Singh, Ajit and Chauhan, Nar Singh and Thulasiram, H. V. and Taneja, Vibha and Sharma, Rakesh} } @article { ISI: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 { ISI:000283349200004, title = {Investigations of CdS and Ag-CdS nanoparticles by X-ray photoelectron spectroscopy}, journal = {Applied Surface Science}, volume = {257}, number = {5}, year = {2010}, month = {DEC}, pages = {1390-1394}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the present report, CdS and Ag-CdS nanoparticles were synthesized using cysteine as a capping agent. Surface properties CdS and Ag-CdS nanoparticles were studied by X-ray photoelectron spectroscopy (XPS). XPS study of CdS nanoparticles was carried out as a function of pH and for a refluxed sample at pH 11.2. Effect of dopant concentration on surface properties of Ag-CdS nanoparticles was also studied for as prepared samples as well as for annealed sample at 2\% doping. Effect of pH, dopant concentration, and effect of particle size on different sulfur species present in the system was studied. Features of Cd 3d, S 2p and Ag 3d core level have been discussed in detail. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Ag-CdS, CdS, Cysteine, XPS}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2010.08.035}, author = {Thakur, Priya and Joshi, Satyawati S. and Patil, K. R.} } @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:000278305600001, title = {Magnetic, dielectric and complex impedance spectroscopic studies of nanocrystalline Cr substituted Li-ferrite}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {322}, number = {18}, year = {2010}, month = {SEP}, pages = {2629-2633}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nanocrystalline Li0.5Fe2.5-xCrxO4 (2.5 \<= x \>= 0) ferrites were prepared by a sol-gel autocombustion route. X-ray diffraction was employed to confirm the cubic spinel phase formation of the ferrites. The lattice parameter decreases with increase in Cr content. The saturation magnetization, coercivity and remanance were studied as a function of Cr content. The dielectric constant and dielectric loss were measured as a function of frequency in the frequency range 20 Hz-1 MHz. Frequency dependence of dielectric constant shows dielectric dispersion due to the Maxwell-Wagner type of interfacial polarization. In order to understand the conduction mechanism, complex impedance measurements were carried out. The substitution of chromium plays an important role in changing the dielectric and magnetic properties of lithium ferrites. (C) 2010 Published by Elsevier B.V.

}, keywords = {Complex impedance, dielectric response, Ferrites, Magnetic hysteresis, Sol-gel synthesis, X-ray diffraction}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2010.03.005}, author = {Hankare, P. P. and Patil, R. P. and Sankpal, U. B. and Garadkar, K. M. and Sasikala, R. and Tripathi, A. K. and Mulla, Imtiaz S.} } @article { ISI:000274432400021, title = {Molecular electric dipole moments using the GVVPT2 variant of multireference perturbation theory}, journal = {Chemical Physics Letters}, volume = {487}, number = {1-3}, year = {2010}, month = {FEB}, pages = {116-121}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A Lagrangian approach for electric dipoles within second order Generalized Van Vleck Perturbation Theory (GVVPT2) is presented. The Lagrangian approach for this response property requires that only one, perturbation-independent, set of simultaneous equations needs to be solved. The presented formulation is demonstrated numerically on several well studied molecules at their equilibrium bond lengths and on the complete potential energy curves of the ground and first excited states of LiH. Numerical corroboration of the expected continuity for molecular properties for the GVVPT2 method is observed. It is seen that the GVVPT2 electric dipoles are in good agreement with experiment and with other high accuracy theoretical methods. (C) 2010 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2010.01.003}, author = {Theis, Daniel and Khait, Yuriy G. and Pal, Sourav and Hoffmann, Mark R.} } @article { ISI:000279864100030, title = {Pd-catalyzed one-pot chemoselective hydrogenation protocol for the preparation of carboxamides directly from azides}, journal = {Tetrahedron Letters}, volume = {51}, number = {29}, year = {2010}, month = {JUL}, pages = {3815-3819}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Carboxamides were obtained efficiently in high yields from azides on reaction with the corresponding pre-formed activated carboxylic acids in a single-step reductive transformation using hydrogen atmosphere (balloon) under Pd/BaSO(4) or Pd/CaCO(3) catalysis. The method is highly chemoselective and compatible with extremely labile functional groups such as benzyl carbamates, benzyl ethers, benzyl esters, and olefins. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Azide, Carboxamide, Catalytic hydrogenation, Chemoselective, Palladium, Succinimide ester}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.05.066}, author = {Bavikar, Sudhir N. and Salunke, Deepak B. and Hazra, Braja G. and Pore, Vandana S. and Thierry, Josiane and Dodd, Robert H.} } @article { ISI: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: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 {42795, title = {Process for synthesis of beaded cross linked polymers, water-in-oil-in-water emulsions and post functionalisation}, number = {2538/DEL}, year = {2010}, month = {JAN}, 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 Chelanattukizhakkemadath, Raman Rajan and Tayal, Rajivkumar and Qureshi, Moham} } @article { ISI:000277643500009, title = {QTL mapping of multiple foliar disease and root-lesion nematode resistances in wheat}, journal = {Molecular Breeding}, volume = {26}, number = {1}, year = {2010}, month = {JUN}, pages = {107-124}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A genetic linkage map, based on a cross between the synthetic hexaploid CPI133872 and the bread wheat cultivar Janz, was established using 111 F(1)-derived doubled haploid lines. The population was phenotyped in multiple years and/or locations for seven disease resistance traits, namely, Septoria tritici blotch (Mycosphaeralla graminicola), yellow leaf spot also known as tan spot (Pyrenophora tritici-repentis), stripe rust (Puccinia striiformis f. sp. tritici), leaf rust (Puccinia triticina), stem rust (Puccinia graminis f. sp. tritici) and two species of root-lesion nematode (Pratylenchyus thornei and P. neglectus). The DH population was also scored for coleoptile colour and the presence of the seedling leaf rust resistance gene Lr24. Implementation of a multiple-QTL model identified a tightly linked cluster of foliar disease resistance QTL in chromosome 3DL. Major QTL each for resistance to Septoria tritici blotch and yellow leaf spot were contributed by the synthetic hexaploid parent CPI133872 and linked in repulsion with the coincident Lr24/Sr24 locus carried by parent Janz. This is the first report of linked QTL for Septoria tritici blotch and yellow leaf spot contributed by the same parent. Additional QTL for yellow leaf spot were detected in 5AS and 5BL. Consistent QTL for stripe rust resistance were identified in chromosomes 1BL, 4BL and 7DS, with the QTL in 7DS corresponding to the Yr18/Lr34 region. Three major QTL for P. thornei resistance (2BS, 6DS, 6DL) and two for P. neglectus resistance (2BS, 6DS) were detected. The recombinants combining resistance to Septoria tritici blotch, yellow leaf spot, rust diseases and root-lesion nematodes from parents CPI133872 and Janz constitute valuable germplasm for the transfer of multiple disease resistance into new wheat cultivars.

}, keywords = {Pratylenchyus spp, Pyrenophora tritici-repentis, Rust diseases, Septoria tritici blotch, Synthetic hexaploid wheat, Triticum aestivum}, issn = {1380-3743}, doi = {10.1007/s11032-009-9381-9}, author = {Rebecca S. Zwart and Thompson, J. P. and Milgate, A. W. and Bansal, Urmil K. and Williamson, P. M. and Raman, H. and Bariana, Harbans S.} } @article { ISI:000285027100017, title = {Self-organizing maps: a tool to ascertain taxonomic relatedness based on features derived from 16S rDNA sequence}, journal = {Journal of Biosciences}, volume = {35}, number = {4}, year = {2010}, month = {DEC}, pages = {617-627}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {Curvilinear component analysis, Principal component analysis, self-organizing maps}, issn = {0250-5991}, doi = {10.1007/s12038-010-0070-y}, author = {Raje, D. V. and Purohit, H. J. and Badhe, Yogesh P. and Tambe, S. S. and Kulkarni, B. D.} } @article { ISI:000284261800094, title = {Small molecule inhibition of phosphatidylinositol-3,4,5-triphosphate (PIP3) binding to pleckstrin homology domains}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {107}, number = {46}, year = {2010}, month = {NOV}, pages = {20126-20131}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

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

}, keywords = {Anticancer, PIP3 antagonist}, issn = {0027-8424}, doi = {10.1073/pnas.1004522107}, author = {Miao, Benchun and Skidan, Igor and Yang, Jinsheng and Lugovskoy, Alexey and Reibarkh, Mikhail and Long, Kai and Brazell, Tres and Durugkar, Kulbhushan A. and Maki, Jenny and Ramana, C. V. and Schaffhausen, Brian and Wagner, Gerhard and Torchilin, Vladimir and Yuan, Junying and Degterev, Alexei} } @article { ISI:000278230700005, title = {Studies of antimicrobial activity of turmeric (Curcuma Longa L.) leaves and rhizomes collected during plant growth phases}, journal = {Research Journal of Biotechnology}, volume = {5}, number = {2}, year = {2010}, month = {MAY}, pages = {24-28}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {

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

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

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

}, keywords = {Brilliant green, Immobilization, Penicillin G acylase, Polymeric membrane, Proline}, issn = {0273-2289}, doi = {10.1007/s12010-009-8686-9}, author = {Adikane, H. V. and Thakar, D. M.} } @article { ISI: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:000274869900014, title = {Vanadia-titania thin films for photocatalytic degradation of formaldehyde in sunlight}, journal = {Applied Catalysis A-General}, volume = {374}, number = {1-2}, year = {2010}, month = {FEB}, pages = {103-109}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Thin films of vanadia-titania with good adhesion to the substrates have been deposited on various substrates such as glass slides, glass helix and silica raschig rings by simple sol-gel dip coating process using vanadium and titanium peroxide gel. The optimum concentration of vanadia in titania for obtaining good uniform viscous gel was found to be 0.5-4 wt\% beyond which the vanadia particles disturb the gel network, resulting in the formation of a gelatinous precipitate. The films of vanadia-titania as well as the dried powder of the bulk gel were characterized by different characterization techniques. Optical characterization by UV-vis spectrophotometer showed a shift in optical absorption wavelength to the visible region that may be due to the incorporation of vanadia into titania structure. The XRD revealed the formation of anatase phase in pure titania as well as titania with up to 2\% vanadia loading, whereas formation of rutile as minor phase along with anatase as major phase was observed at higher vanadia loading. The XRD did not show any peaks of vanadia phase up to 5\% vanadia loading indicating either incorporation of vanadia into titania structure or high dispersion of amorphous vanadia on titania support. The pure and vanadia doped TiO(2) thin films were evaluated for their photocatalytic activity for degradation of methylene blue as a model pollutant under sunlight. Doping Of V(2)O(5) in TiO(2) showed an increase in the photo-degradation rate of methylene blue by a factor of 3-6.6 times compared to pure TiO(2). The highest rate has been obtained for 4\% V(2)O(5)-doped TiO(2) films. Vanadia doped TiO(2) thin films were also found to be very active for photocatalytic degradation of formaldehyde from aqueous solution in sunlight. (c) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Formaldehyde, Methylene blue, Photocatalysis, Sunlight, Thin films, V(2)O(5)/TiO(2)}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.11.035}, author = {Akbarzadeh, Rokhsareh and Shubhangi B. Umbarkar and Sonawane, Ravindra S. and Takle, Srikant and Dongare, Mohan K.} } @article { ISI:000294572800023, title = {Antifungal activity of novel synthetic peptides by accumulation of reactive oxygen species (ROS) and disruption of cell wall against Candida albicans}, journal = {Peptides}, volume = {32}, number = {8}, year = {2011}, month = {AUG}, pages = {1732-1740}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

In the present work, we investigated the antifungal activity of two de novo designed, antimicrobial peptides VS2 and VS3, incorporating unnatural amino acid alpha,beta-dehydrophenylalanine (Delta Phe). We observed that the low-hemolytic peptides could irreversibly inhibit the growth of various Candida species and multidrug resistance strains at MIC(80) values ranging from 15.62 mu M to 250 mu M. Synergy experiments showed that MIC(80) of the peptides was drastically reduced in combination with an antifungal drug fluconazole. The dye PI uptake assay was used to demonstrate peptide induced cell membrane permeabilization. Intracellular localization of the FITC-labeled peptides in Candida albicans was studied by confocal microscopy and FACS. Killing kinetics, PI uptake assay, and the intracellular presence of FITC-peptides suggested that growth inhibition is not solely a consequence of increased membrane permeabilization. We showed that entry of the peptide in Candida cells resulted in accumulation of reactive oxygen species (ROS) leading to cell necrosis. Morphological alteration in Candida cells caused by the peptides was visualized by electron microscopy. We propose that de novo designed VS2 and VS3 peptides have multiple detrimental effects on target fungi, which ultimately result in cell wall disruption and killing. Therefore, these peptides represent a good template for further design and development as antifungal agents. (C) 2011 Elsevier Inc. All rights reserved.

}, keywords = {Antifungal peptides, Candida albicans, Cell wall, ROS}, issn = {0196-9781}, doi = {10.1016/j.peptides.2011.06.003}, author = {Maurya, Indresh Kumar and Pathak, Sarika and Sharma, Monika and Sanwal, Hina and Chaudhary, Preeti and Tupe, Santosh and Deshpande, Mukund V. and Chauhan, Virander Singh and Prasad, Rajendra} } @article { ISI:000288661500011, title = {Association between chemical and genetic variation in calophyllum inophyllum, a medicinally important tree of the Western Ghats of India}, journal = {Plant Systematics and Evolution}, volume = {292}, number = {3-4}, year = {2011}, month = {APR}, pages = {257-265}, publisher = {SPRINGER WIEN}, address = {SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA}, abstract = {

The objective of the present work is to study the chemical variation in Calophyllum inophyllum growing along the Western Ghats of India. Contents of dipyranocoumarins (inophyllums) in C. inophyllum were determined to assess whether they could be used as a taxonomic marker for C. inophyllum. This study also aims to establish inter simple sequence repeat (ISSR) markers that can be used to study genetic variation within the species and explore correlation between ISSR and chemical markers. The contents of dipyranocoumarins were estimated in seeds collected from 20 locations. Leaves from plants at the same 20 locations were assayed for ISSR variation. A dendrogram based on Nei{\textquoteright}s genetic distance as well as principal component analysis based on dipyranocoumarins and ISSR variation clustered plants from these 20 locations into three groups that indicated close relationship among ISSR, dipyranocoumarins contents, and geographical position (variation) of locations. Based on this study, two locations of elite plants were identified.

}, keywords = {Calophyllum inophyllum, Dendrogram, dipyranocoumarins, HPLC, ISSR, Principal component analysis, Western Ghats of India}, issn = {0378-2697}, doi = {10.1007/s00606-010-0409-8}, author = {Pawar, Kiran D. and Joshi, Swati P. and Thengane, Shubhada Ratnakar} } @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:000292932100011, title = {Bioactivity of essential oils of zingiber officinalis and achyranthes aspera against mosquitoes}, journal = {Parasitology Research}, volume = {109}, number = {2}, year = {2011}, month = {AUG}, pages = {339-343}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Due to the global health problems associated with mosquito-borne diseases, over two million people primarily in the tropical countries are at risk. The widely and commonly used chemical method though effective, has some major disadvantages making insect control practically difficult. In view of the above, it is unavoidable to search for new molecules, which are eco-friendly, cheaper, and safer. The present study deals with evaluation of bioactive potential of two commonly occurring plants against mosquitoes presenting an alternative to the conventional chemical methods. Essential oils extracted by steam distillation from rhizome of Zingiber officinalis and leaf and stem of Achyranthes aspera were evaluated for larvicidal, attractant/repellent, and oviposition attractant/deterrent activity against two mosquito species viz. Aedes aegypti and Culex quinquefasciatus. The highest larvicidal activity, i.e., LC(50) = 154 ppm and LC(50) = 197 ppm for A. aegypti and C. quinquefasciatus, respectively was shown by Z. officinalis. This oil also offers 5-h protection at the concentration of 0.5 mg/cmA(2) from both mosquito species. The highest oviposition deterrence activity was exhibited by A. aspera stem oil, i.e., 100\% and 85.71\%, in case of A. aegypti and C. quinquefasciatus, respectively, at the concentration of 0.1\%. These results reveal that both these oils have control potential against A. aegypti and C. quinquefasciatus.

}, issn = {0932-0113}, doi = {10.1007/s00436-011-2261-3}, author = {Khandagle, Abhay J. and Tare, Vrushali S. and Raut, Kishor D. and Morey, Rashmi A.} } @article { ISI:000284150200042, title = {Classification of Indian power coals using K-means clustering and self organizing map neural network}, journal = {Fuel}, volume = {90}, number = {1}, year = {2011}, month = {JAN}, pages = {339-347}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The present study reports results of the classification of Indian coals used in thermal power stations across India. For classifying these power coals a classical unsupervised clustering technique, namely {\textquoteleft}{\textquoteleft}K-Means Clustering{\textquoteright}{\textquoteright} and an artificial intelligence (AI) based nonlinear clustering formalism known as {\textquoteleft}{\textquoteleft}Self-Organizing Map (SOM){\textquoteright}{\textquoteright} have been used for the first time. To conduct the said classification, five coal descriptor variables namely moisture, ash, volatile matter, carbon and gross calorific value (GCV) have been used. The classification results thereof indicate that Indian power coals from different geographical origins can be classified optimally into seven classes. It has also been found that the K-means and SOM based classification results exhibit similarity in close to 75\% coal samples. Further, K-means and SOM based seven coal categories have been compared with as many grades of a commonly employed Useful Heat Value (UHV) based Indian non-coking coal grading system. Here, it was observed that a number of UHV-based grades exhibit similarity with the categories identified by the K-means and SOM methods. The classification of Indian power coals as provided here can be gainfully used in selecting application-specific coals as also in their grading and pricing. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Coal classification, Indian power coals, K-means clustering, Self-Organizing Map}, issn = {0016-2361}, doi = {10.1016/j.fuel.2010.09.012}, author = {Pandit, Yogesh P. and Badhe, Yogesh P. and Sharma, B. K. and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @article { ISI:000297606200009, title = {Comparative and chemical proteomic approaches reveal gatifloxacin deregulates enzymes involved in glucose metabolism}, journal = {Journal of Toxicological Sciences}, volume = {36}, number = {6}, year = {2011}, month = {DEC}, pages = {787-796}, publisher = {JAPANESE SOC TOXICOLOGICAL SCIENCES}, address = {INTERNATIONAL MEDICAL INFORMATION CENTER, SHINANOMACHI RENGAKAN, 35 SHINANO-MACHI, SHINJUKU-KU, TOKYO, 160-0016, JAPAN}, abstract = {

Gatifloxacin has been associated with increased risks of hypoglycemic and hyperglycemic side effects. In order to understand the molecular mechanism of gatifloxacin induced deregulation of glucose metabolism, a Combination of comparative and chemical proteomic approaches were employed using yeast as a model system. Differential protein expression studies using two dimensional electrophoresis and mass spectrometry reveal that gatifloxacin deregulates the expression of key enzymes involved in glucose metabolism. Furthermore, affinity chromatography and LC-MSE analysis led to identification of enolase, as one of the key gatifloxacin binding proteins. Fluorescence spectrometric studies confirmed that the gatifloxacin indeed binds to enolase. Role of enolase in regulation of gatifloxacin induced dysglycemic effect is discussed.

}, keywords = {antibiotics, Differential protein expression, Fluoroquinolone, Glycolysis, Yeast}, issn = {0388-1350}, doi = {10.2131/jts.36.787}, author = {Suresh, Kesavan K. and Bhosale, Santosh D. and Thulasiram, Hirekodathakallu V. and Kulkarni, Mahesh J.} } @article { ISI:000293637800009, title = {Degradation of tannic acid by cold-adapted klebsiella sp NACASA1 and phytotoxicity assessment of tannic acid and its degradation products}, journal = {Environmental Science and Pollution Research}, volume = {18}, number = {7}, year = {2011}, month = {AUG}, pages = {1129-1138}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

The focus of the present study is to know the potential of bacterial isolate for tannic acid degradation at low temperature. Also, we tried to evaluate the suitability of phytotoxicity testing protocol for the determination of tannic acid toxicity. Screening for tannic acid degrading bacterial strains was carried out by using microbial isolation techniques. The 16S rDNA amplicon of the isolate was used to identify the isolate. The effect of different concentrations of tannic acid and its degradation products on germination of Vigna unguiculata was evaluated. The study was carried out to determine total sugar and starch content of the used seeds and even to check the presence of alpha-amylase activity during seed germination. The isolated bacterium was identified as Klebsiella sp NACASA1 and it showed degradation of tannic acid in 40 (+/- 0.85***) h at 15A degrees C and pH 7.0. A gradual decrease in root/shoot length was observed with increasing concentration of tannic acid. There was 95.11 (+/- 0.24**)\% inhibition in alpha-amylase activity at 20,000 ppm tannic acid, as compared to control. No such effects were observed on germination, root-shoot length, and alpha-amylase activity with tannic acid degradation products. The results obtained confirmed that tannic acid may act as a toxic agent in plant cells. The simple biodegradation process presented in this study was found to be effective in reducing toxicity of tannic acid. Also, it reveals the potential of soil bacterium to degrade tannic acid at low temperature.

}, keywords = {Cold-adapted bacterium, Phytotoxicity, Tannic acid degradation}, issn = {0944-1344}, doi = {10.1007/s11356-011-0468-6}, author = {Jadhav, Umesh and Kadu, Sudhir and Thokal, Nilesh and Padul, Manohar and Dawkar, Vishal V. and Chougale, Ashok D. and Salve, Abhay and Patil, Manoj} } @article { ISI:000295300600009, title = {Determination of organic acid impurities in lactic acid obtained by fermentation of sugarcane juice}, journal = {Journal of Chromatography A}, volume = {1218}, number = {40}, year = {2011}, month = {OCT}, pages = {7147-7157}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Lactic acid produced by fermentation process mostly contains a number of aliphatic carboxylic acids as impurities. In this work, carboxylic acid impurities in lactic acid samples from a number of sources were determined at ppm levels. A simple HPLC method was developed that utilized a new generation polar embedded reverse phase, 20 mM phosphate buffer at pH 2.20 (+/- 0.05) and UV detection at 210 nm. The method enabled quantitative analysis of the above acids in lactic acid matrix. The experimental conditions for column temperature, mobile phase pH and flow rate were optimized. A detailed validation of the method was performed for linearity, precision, accuracy, selectivity, limit of detection (LOD), limit of quantitation (LOQ), ruggedness and repeatability and reproducibility (R\&R). (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Lactic acid, Method validation, Organic acid impurities, Polar embedded RP-HPLC, Sugarcane juice fermentation}, issn = {0021-9673}, doi = {10.1016/j.chroma.2011.08.025}, author = {Qureshi, Mohd Shadbar and Bhongale, Sunil Sitaram and Thorave, Archana K.} } @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 { ISI:000289926300019, title = {Effect of blend composition and organoclay loading on the nanocomposite structure and properties of miscible poly(methyl methacrylate)/poly(styrene-co-acrylonitrile) blends}, journal = {Polymer Engineering and Science}, volume = {51}, number = {5}, year = {2011}, month = {MAY}, pages = {979-991}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Organically-modified montmorillonite clay nanocomposites of poly(styrene-co-acrylonitrile) (SAN), poly(methyl methacrylate) (PMMA) and SAN/PMMA miscible blend are investigated. Structure characteristics at the nanoscale and microscale and thermal and tensile properties are studied as a function of polymer blend composition and filler loading fraction. Blend miscibility and T(g) are unaffected by up to 10\% by wt. organoclay. Thermal degradation stability increases with SAN content and exhibits an optimum value of clay loading. Stiffness shows significant improvement. Tensile strength and elongation-at-break suffer as a result of nanocomposite formation. Modulus shows a maximum enhancement of 57\% (5 +/- 0.06 GPa at 10 wt\% filler, 20/80 SAN/PMMA) and varies linearly with clay fraction for all compositions of matrix phase. Predictions of Halpin-Tsai composite model are in excellent agreement with the experimental behavior over full range of polymer blend composition. Fundamental aspects of a polymer blend-clay nanocomposite are clarified, such as lack of additional synergy between clay platelets and matrix, and tensile ductility reduction, compared with polymer-clay system. POLYM. ENG. SCI., 51:979-991, 2011. (C) 2011 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.21887}, author = {Tiwari, Rajkiran R. and Natarajan, Upendra} } @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: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: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:000296009600009, title = {Influence of abiotic elicitation on production of dipyranocoumarins in suspension cultures of calophyllum inophyllum L.}, journal = {Acta Physiologiae Plantarum}, volume = {33}, number = {6}, year = {2011}, month = {NOV}, pages = {2149-2158}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Effects of elicitation with heavy metals such as copper, cadmium, chromium (abiotic elicitation) and supplementation of CaCl(2) on production of dipyranocoumarins (inophyllums) in suspension cultures of leaf and stem callus of Calophyllum inophyllum were studied. The optimum timing for elicitor introduction was found to be the 10th day after initiating the suspension cultures. Cadmium as abiotic elicitor in suspension cultures of stem callus was found best to elicit maximum production of inophyllums A, C, and calophyllolide while cadmium in suspension cultures of leaf callus was found best for eliciting maximum production of inophyllums B and P. Inophyllum D was the only dipyranocoumarin whose highest production was achieved when 1.0 mM chromium was used as abiotic elicitor in suspension cultures of stem callus. Out of the three abiotic elicitors used, none could result biomass growth. Only incorporation of CaCl(2) in suspension cultures resulted biomass growth. A maximum of 35.26-fold biomass growth was achieved when suspension cultures of stem callus were incorporated with 2.0 mM CaCl(2). CaCl(2) was noted to have no positive influence on production of most of the dipyranocoumarins under study.

}, keywords = {Abiotic elicitation, Calophyllum inophyllum, dipyranocoumarins, Heavy metals, Suspension culture}, issn = {0137-5881}, doi = {10.1007/s11738-011-0754-4}, author = {Pawar, Kiran D. and Thengane, Shubhada Ratnakar} } @article { ISI:000292989000018, title = {Influence of endophytic fungal elicitation on production of inophyllum in suspension cultures of Calophyllum inophyllum L.}, journal = {Plant Cell Tissue and Organ Culture}, volume = {106}, number = {2}, year = {2011}, month = {AUG}, pages = {345-352}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The influence of dried cell powder and culture filtrates of endophytic fungi on production of inophyllum in cell suspension cultures of leaf- and stem-derived callus of Calophyllum inophyllum was investigated. Two fungi, Nigrospora sphaerica and Phoma spp., endophytic to C. inophyllum, were isolated from leaf tissues, and were identified by both 18S rRNA gene amplification and sequencing. Elicitation of suspension cultures of both callus types of C. inophyllum with dried cell powder and culture filtrates of both fungi consistently elicited production of inophyllum A, B, C, and P. In comparison to stem-derived callus, suspension cultures of leaf-derived callus enhanced production of most inophyllum. Of the four inophyllum studied, the highest production of inophyllum A, C, and P was achieved in elicited suspension cultures of leaf-derived callus. Suspension cultures of stem-derived callus enhanced production only of inophyllum B. When suspension cultures of leaf-derived callus were elicited with 40 mg dried cell powder of Phoma spp., a level of 751-fold (6.84 mg/100 g elicited biomass) of inophyllum A was produced, compared to control. Whereas, a level of 414-fold (6.22 mg/100 g elicited biomass) of inophyllum B was produced when suspension cultures of stem-derived callus were elicited with 20 mg dried cell powder of N. sphaerica. When compared to control, a 10\% culture filtrate of N. sphaerica in suspension cultures of leaf-derived callus elicited inophyllum C and P production by 928-fold (7.43 mg/100 g elicited biomass) and 750-fold (1.5 mg/100 g elicited biomass), respectively.

}, keywords = {Biotic elicitation, Calophyllum inophyllum, Endophytic fungi, Inophyllum, Suspension cultures}, issn = {0167-6857}, doi = {10.1007/s11240-011-9928-4}, author = {Pawar, Kiran D. and Yadav, Amit V. and Shouche, Yogesh S. and Thengane, Shubhada Ratnakar} } @article { ISI:000297940300004, title = {Influence of reactive compatibilization on the structure and properties of PP/LDH nanocomposites}, journal = {Polymer International}, volume = {60}, number = {12}, year = {2011}, month = {DEC}, pages = {1688-1696}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Polypropylene (PP)/layered double hydroxide (LDH) nanocomposites were prepared by the direct melt intercalation method usingmaleic anhydride grafted polypropylene (PP-g-MAH) as a reactive compatibilizer. The compatibilization effects provided by PP-g-MAH in different weight fractions and their influence on the structure and properties of the final nanocomposites were investigated. The interactions and structural morphology of the nanocomposites were examined by Fourier transform infrared spectroscopy, X-ray diffraction and transmission electronmicroscopy. Thermal, mechanical and rheological properties of these nanocomposites were investigated as a function of compatibilizer concentration. The detailed morphological and X-ray diffraction results revealed that the degree of LDH dispersion increases as the amount of PP-g-MAH increases. Study of the linear viscoelastic properties showed that the storage modulus G{\textquoteright} is very sensitive to the microstructure of the nanocomposite. The thermal properties of the nanocomposites were significantly influenced by the weight fraction of PP-g-MAH due to the shielding and nucleating effect of exfoliated layers. Both the tensile strength and modulus showed substantial improvements with increasing PP-g-MAH content, while the elongation at break substantially decreased, although the presence of PP-gMAH somewhat improves these values. The overall results showed that 10 wt\% of compatibilizer is optimum to achieve nanocomposites with better performance. (C) 2011 Society of Chemical Industry

}, keywords = {compatibilization, layered double hydroxides, Nanocomposites, polypropylene, Rheology, thermomechanical properties}, issn = {0959-8103}, doi = {10.1002/pi.3129}, author = {Lonkar, Sunil P. and Therias, Sandrine and Leroux, Fabrice and Gardette, Jean Luc and Singh, Raj Pal} } @article { ISI: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: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:000293168000044, title = {Novel hybrids of fluconazole and furanones: design, synthesis and antifungal activity}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {21}, number = {16}, year = {2011}, month = {AUG}, pages = {4873-4878}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

During our efforts to develop new antifungal agents, a number of hybrid molecules containing furanones and fluconazole pharmacophores were designed and synthesized. The new chemical entities thus synthesized were tested for their potential as antifungal agents against various fungal strains and it was observed that the compounds with general structure 7 were potent inhibitors of Candida albicans ATCC 24433, Candida glabrata ATCC 90030, Candida tropicalis ATCC 750 and Candida neoformans ATCC 34664 while the fluconazole analogues 12 exhibited antifungal activity against Candida albicans ATCC 24433 and Candida glabrata ATCC 90030. The structure-activity relationship for these compounds is discussed. The synthetic strategies used in the present work have potential to prepare a large number of compounds for further refinement of structures to obtain molecules suitable for development as antifungal drugs. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Antifungal activity, Fluconazole, Furanones}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2011.06.022}, author = {Borate, Hanumant B. and Sawargave, Sangmeshwer P. and Chavan, Subhash P. and Chandavarkar, Mohan A. and Iyer, Ramki and Tawte, Amit and Rao, Deepali and Deore, Jaydeep V. and Kudale, Ananada S. and Mahajan, Pankaj S. and Kangire, Gopinath S.} } @article {43203, title = {Novel pyrazole-3-carboxamide derivatives as cannabinoid-1 (CB1) antagonists: journey from non-polar to polar amides}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {21}, year = {2011}, month = {JAN}, pages = {562-568}, abstract = {The synthesis and biological evaluation of novel pyrazole-3-carboxamide derivatives as CB1 antagonists are described. As a part of eastern amide SAR, various chemically diverse motifs were introduced. In general, a range of modifications were well tolerated. Several molecules with high polar surface area were also indentified as potent CB1 receptor antagonists. The in vivo proof of principle for weight loss is exemplified with a lead compound from this series. (C) 2010 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.bmcl.2010.10.055}, author = {Sasmal, Pradip K. and Reddy, D. Srinivasa and Talwar, Rashmi and Venkatesham, B. and Balasubrahmanyam, D. and Kannan, M. and Srinivas, P. and Kumar, K. Shiva and Devi, B. Neelima and Jadhav, Vikram P. and Khan, Sanjoy K. and Mohan, Priya and Chaudhury, Hira and Bhuniya, Debnath and Iqbal, Javed and Chakrabarti, Ranjan} } @article { ISI: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:000287273000004, title = {One-pot three-component kabachnik-fields synthesis of alpha-aminophosphonates using H-beta zeolite catalyst}, journal = {Tetrahedron Letters}, volume = {52}, number = {8}, year = {2011}, month = {FEB}, pages = {863-866}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

One-pot three-component Kabachnik-Fields synthesis of alpha-aminophosphonates with high yields from the reaction between carbonyl compound, primary amine, and substituted phosphite can be carried out in a short period, using H-beta zeolite as a reusable catalyst. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Carbonyl compound, H-beta zeolite, Primary amine, Substituted phosphite}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.11.105}, author = {Tillu, V. H. and Dumbre, Deepa K. and Wakharkar, R. D. and Choudhary, Vasant R.} } @article { ISI:000298534500008, title = {Organocatalytic route to the synthesis of (6S)-5,6-dihydro-6-[(2R)-2-hydroxy-6-phenylhexyl]-2H-pyran-2-one and ravensara lactones}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {18-19}, year = {2011}, month = {OCT}, pages = {1749-1756}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An organocatalytic enantioselective synthesis of the title compounds has been achieved. The stereogenic centers were generated by the iterative use of proline catalyzed alpha-aminoxylations and HWE olefination of aldehydes while the lactone ring was constructed by ring closing metathesis. (C) 2011 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2011.09.017}, author = {Dwivedi, Namrata and Tripathi, Divya and Kumar, Pradeep} } @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:000298535800007, title = {Poly(acrylonitrile) based ultrafiltration membranes: optimization of preparation parameters}, journal = {Desalination}, volume = {282}, number = {SI}, year = {2011}, month = {NOV}, pages = {46-53}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Supported ultrafiltration (UF) membranes based on poly(acrylonitrile) were prepared while varying crucial parameters responsible for controlling membrane porosity, viz.; polymer concentration, solvent and additives in the dope solution. Insight into membrane porosity and morphology was obtained by water flux, solute rejection, bubble point, pore size distribution, SEM and AFM analyses. It was found that merely increasing polymer concentration does not necessarily reduce pore size of membranes. Among four solvents used for the dope solution preparation, N-methyl pyrrolidone was found to offer membranes with optimal combination of flux and rejection of various solutes. Some of the PAN(17) (17\% w/w PAN concentration in the dope solution) membranes prepared using organic acid as the additive (citric acid, tartaric acid or maleic acid) offered 1.2-1.7 times higher flux than the membrane prepared using inorganic salt, ZnCl2 as an additive. The porosity of PAN(17) membrane prepared using CA as an additive was larger as compared to membrane prepared using ZnCl2 as an additive. Atomic force microscopy (AFM) analysis of this membrane exhibited higher surface roughness as compared to the ZnCl2 based membrane. Both these membranes exhibited bacteria (E. Coli) log reduction value (LRV) of at least 6; depicting applicability of these membrane for water disinfection. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Additive, Bacteria rejection, Poly(acrylonitrile), Pore size distribution, Ultrafiltration}, issn = {0011-9164}, doi = {10.1016/j.desal.2011.04.009}, author = {Lohokare, Harshada R. and Bhole, Yogesh S. and Taralkar, Suyog and Kharul, Ulhas K.} } @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: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 { ISI:000295856200011, title = {Recurrent somatic embryogenesis and plant regeneration in Angelica glauca Edgew., a critically endangered medicinal plant of the Western Himalaya}, journal = {Journal of Horticultural Science \& Biotechnology}, volume = {86}, number = {5}, year = {2011}, month = {SEP}, pages = {493-498}, publisher = {HEADLEY BROTHERS LTD}, address = {INVICTA PRESS, ASHFORD TN24 8HH, KENT, ENGLAND}, abstract = {

Secondary somatic embryogenesis and plant regeneration from seedling explants of Angelica glauca, an endangered medicinal plant of the Himalaya, is reported for the first time. Callus was obtained from all the explants tested in the present study (i.e., epicotyls, hypocotyls, and cotyledonary nodes). The highest frequency of callus formation (95.8\%) was observed using epicotyl explants on 4.0 mu M 2,4-dichlorophenoxyacetic acid (2,4-D), whereas 70.8\% of hypocotyl explants, and 58.3\% of cotyledonary nodes produced callus. One-hundred percent embryogenic callus was induced from epicotyl explants in 2.0 mu M 6-benzyladenine (BA) and 2.0 mu M alpha-naphthaleneacetic acid (NAA), together with the maximum number of somatic embryos (34.2 embryos per explant). Cotyledonary nodes did not produce somatic embryos. Histological studies confirmed the induction of somatic embryogenesis. Somatic embryos germinated into plantlets upon transfer to half-strength Murashige and Skoog (MS) medium without added plant growth regulators. We observed 85\% survival of these plantlets under field conditions. The development of secondary embryos was also observed when primary embryos were sub-cultured on full-strength MS medium containing 2.0 mu M NAA plus 2.0 mu M BA. This system of recurrent somatic embryogenesis provides a route for gene transfer and also for the large-scale production of this critically endangered medicinal plant.

}, issn = {1462-0316}, author = {Pandey, Meena and Dhar, Uppeandra and Samant, Sher Singh and Shirgurkar, Mrudul Vijay and Thengane, Shubhada Ratnakar} } @article { ISI: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:000298518600028, title = {Adsorption induced enzyme denaturation: the role of protein surface in adsorption induced protein denaturation on allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymers}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {90}, year = {2012}, month = {FEB}, pages = {184-190}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The effects of protein size on adsorption and adsorption-induced denaturation of proteins on copolymers of allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) have been studied. Different responses were observed for the amount of protein adsorbed and denatured on the polymer surface for different proteins (trypsin, alchol dehydrogenase from baker{\textquoteright}s yeast (YADH), glucose dehydrogenase (GDH) from Gluconobacter cerinus, and alkaline phosphates from calf intestinal mucosa (CIAP). Protein adsorption on the copolymer with 25\% crosslink density (AGE-25) was dependent not only on the size of the protein but also on the presence of glycoside residues on the protein surface. Adsorption and denaturation of proteins follows the order YADH \> trypsin \> GDH \>\> CIAP although the molecular weights of the proteins follow the order YADH \> CIAP \> GDH \> trypsin. The lack of correlation between amount of adsorbed protein and its molecular weight was due to the presence of glycoside residues on CIAP and GDH which protect the enzyme surface from denaturation. Enzyme stabilities in aqueous solutions of 1-cyclohexyl-2-pyrrolidinone (CHP) correlate well with the trend in denaturation by the copolymer, strongly suggesting that hydrophobic interactions play a major role in protein binding and the mechanism of protein denaturation is similar to that for water-miscible organic solvents. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {1-Cyclohexyl-2-pyrrolidinone, Adsorption, Alcohol dehydrogenase, Alkaline phosphatase, allyl glycidyl ether, Denaturation, ethylene glycol dimethacrylate, Glucose dehydrogenase, Trypsin}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2011.10.022}, author = {Thudi, Lahari and Jasti, Lakshmi Swarnalatha and Swarnalatha, Y. and Fadnavis, Nitin W. and Mulani, Khudbudin Baban and Deokar, Sarika Babasaheb and Ponrathnam, Surendra} } @article { ISI:000310257100019, title = {Alumina supported carbon composite material with exceptionally high defluoridation property from eggshell waste}, journal = {Journal of Hazardous Materials}, volume = {237}, year = {2012}, month = {OCT}, pages = {161-169}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A new alumina supported carbon composite material called {\textquoteleft}{\textquoteleft}Eggshell Composite{\textquoteright}{\textquoteright} (EC) was synthesized from eggshell waste as calcium source for selective fluoride adsorption from water. The effect of various synthesis parameters like eggshell (ES): Eggshell membrane (ESM) ratio, aluminium loading, mixing time and calcinations temperature to optimize the synthesis conditions for selective fluoride removal has been studied. It was observed that the synthesis parameters have significant influence on development of EC and in turn on fluoride removal capacity. EC synthesized was characterized for elemental composition, morphology, functionality and textural properties. Results showed that EC obtained from eggshell modified with alumina precursor is more selective and efficient for fluoride removal. Langmuir and Freundlich isotherm were used to obtain ultimate fluoride removal capacity. The calcium and alumina species in EC shows synergistic effect in fluoride adsorption process. Fluoride sorption studies were carried out in synthetic, groundwater and wastewater. EC proved to be a potential, indigenous and economic adsorbent for fluoride removal. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Composite material, Eggshell, Eggshell membrane, Fluoride adsorption, Langmuir}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2012.08.023}, author = {Lunge, Sneha and Thakre, Dilip and Kamble, Sanjay and Labhsetwar, Nitin K. and Rayalu, Sadhana} } @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:000307950000006, title = {Andrographolide inhibits osteopontin expression and breast tumor growth through down regulation of PI3 Kinase/Akt signaling pathway}, journal = {Current Molecular Medicine}, volume = {12}, number = {8}, year = {2012}, month = {SEP}, pages = {952-966}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Breast cancer is one of the most common cancers among women in India and around the world. Despite recent advancement in the treatment of breast cancer, the results of chemotherapy to date remain unsatisfactory, prompting a need to identify natural agents that could target cancer efficiently with least side effects. Andrographolide (Andro) is one such molecule which has been shown to possess inhibitory effect on cancer cell growth. In this study, Andro, a natural diterpenoid lactone isolated from Andrographis paniculata has been shown to inhibit breast cancer cell proliferation, migration and arrest cell cycle at G2/M phase and induces apoptosis through caspase independent pathway. Our experimental evidences suggest that Andro attenuates endothelial cell motility and tumor-endothelial cell interaction. Moreover, Andro suppresses breast tumor growth in orthotopic NOD/SCID mice model. The anti-tumor activity of Andro in both in vitro and in vivo model was correlated with down regulation of PI3 kinase/Akt activation and inhibition of pro-angiogenic molecules such as OPN and VEGF expressions. Collectively, these results demonstrate that Andro may act as an effective anti-tumor and anti-angiogenic agent for the treatment of breast cancer.

}, keywords = {Andrographolide, angiogenesis and breast tumor, migration, osteopontin, PI 3 kinase}, issn = {1566-5240}, author = {Kumar, S. and Patil, H. S. and Sharma, P. and Kumar, D. and Dasari, Sreekanth and Puranik, Vedavati G. and Thulasiram, H. V. and Kundu, G. C.} } @article { ISI:000309096400007, title = {Aromatic aldehyde functionalized polycaprolactone and polystyrene macromonomers: synthesis, characterization and aldehyde-aminooxy click reaction}, journal = {Reactive \& Functional Polymers}, volume = {72}, number = {10}, year = {2012}, month = {OCT}, pages = {713-721}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

New bis-aldehyde functionalized initiators, viz, 4,4{\textquoteright}-(4,4{\textquoteright}-(5-hydroxypentane-2,2-diyl)bis(4,1-phenylene))bis(oxy)dibenza ldehyde (1) and 4,4{\textquoteright}-bis(4-(4-(formylphenoxy) phenyl) pentyl 2-bromopropanoate (2) were synthesized starting from commercially available 4,4{\textquoteright}-bis(4-hydroxyphenyl) pentanoic acid. These initiators were utilized, respectively, for ring opening polymerization of E-caprolactone and atom transfer radical polymerization of styrene. Well-defined polycaprolactone macromonomers (M-n(GPC): 2600-19400, PDI: 1.37-1.47) and polystyrene macromonomers (M-n(GPC): 2800-28200, PDI: 1.11-1.16) with bis-aldehyde functionality were synthesized. The kinetic study of styrene polymerization showed controlled polymerization behaviour. The presence of aldehyde functionality in macromonomers was confirmed by H-1 NMR spectroscopy. The reactivity of aldehyde functionality was demonstrated by carrying out aldehyde-aminooxy click reaction of polycaprolactone macromonomer with O-(2-azidoethyl) hydroxylamine which proceeded in a quantitative manner without backbone degradation. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Aldehyde-terminated macromonomers, ATRP, Polycaprolactone, Polystyrene, ROP}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2012.06.020}, author = {Sane, Prakash S. and Tawade, Bhausaheb V. and Palaskar, Dnyaneshwar V. and Menon, Shamal K. and Wadgaonkar, Prakash P.} } @article { ISI:000300490500018, title = {Clare: cracking the language of regulatory elements}, journal = {Bioinformatics}, volume = {28}, number = {4}, year = {2012}, month = {FEB}, pages = {581-583}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {

CLARE is a computational method designed to reveal sequence encryption of tissue- specific regulatory elements. Starting with a set of regulatory elements known to be active in a particular tissue/process, it learns the sequence code of the input set and builds a predictive model from features specific to those elements. The resulting model can then be applied to user-supplied genomic regions to identify novel candidate regulatory elements. CLARE{\textquoteright}s model also provides a detailed analysis of transcription factors that most likely bind to the elements, making it an invaluable tool for understanding mechanisms of tissue- specific gene regulation.

}, issn = {1367-4803}, doi = {10.1093/bioinformatics/btr704}, author = {Taher, Leila and Narlikar, Leelavati and Ovcharenko, Ivan} } @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:000307188100016, title = {Conversion of cellulose to polyols over promoted nickel catalysts}, journal = {Catalysis Science \& Technology}, volume = {2}, number = {9}, year = {2012}, month = {MAY}, pages = {1852-1858}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Sorbitol is one of the key platform chemicals that can be applied to several industrial applications, including bio-fuels and hydrogen production. Presently there is no commercial heterogeneous catalytic process to produce sorbitol from cellulose due to the low yield and high cost of noble metals required for the conversion. In this paper we describe an aqueous phase hydrolysis-hydrogenation process to convert cellulose to sorbitol using a cheap Ni based catalyst. Monometallic Ni catalysts showed little activity for the reaction, but with the addition of a small amount of Pt to the Ni catalyst (Ni : Pt = 22 : 1 atom ratio), the activity was greatly enhanced. Results showed that the bimetallic Ni-Pt catalysts supported on mesoporous alumina gave a hexitol (sorbitol + mannitol) yield of 32.4\% compared to only 5\% with a Ni catalyst. Moreover, Ni-Pt supported on a mesoporous beta zeolite support provided even higher yield of 36.6\%. These results were obtained after only 6 hours of run at 200 degrees C and 50 bar H-2 pressure (at room temperature). The presence of a small amount of Pt promotes the protonation of water and hydrogen molecules, which spill over to Ni sites creating in situ acid sites to catalyse hydrolysis of cellulose.

}, issn = {2044-4753}, doi = {10.1039/c2cy20119d}, author = {Shrotri, Abhijit and Tanksale, Akshat and Beltramini, Jorge Norberto and Gurav, Hanmant and Chilukuri, Satyanarayana V.} } @article { ISI:000306771600005, title = {Covalently anchored ruthenium-phosphine complex on mesoporous organosilica: catalytic applications in hydrogenation reactions}, journal = {Catalysis Communications}, volume = {25}, year = {2012}, month = {AUG}, pages = {22-27}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

New heterogeneous catalysts for alkene hydrogenation reactions were prepared by the immobilization of trimethoxysilane functionalized triphenylphosphine eta(6)-p-cymene ruthenium complex on mesoporous organosilica (PMO-Ru). Characterization techniques confirmed the structural integrity of the organosilica material and proved the successful anchoring of ruthenium complex. Catalytic activity and stability of PMO-Ru sample investigated in the hydrogenation of various olefins showed higher activity than a neat and MCM-41 supported ruthenium catalyst. High catalytic activity and stability of organosilica supported ruthenium catalyst are attributed to the hydrophobic environments and to the unique structural features imparted from the presence of organic groups in the framewall positions. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Heterogenization, Hydrogenation, Organosilica, ruthenium, Triphenyl phosphine}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.04.002}, author = {Sisodiya, Sheetal and Lazar, Anish and Shylesh, Sankaranarayanapillai and Wang, Lei and Thiel, Werner R. and Singh, Anand Pal} } @article {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:000304106900015, title = {Electrostatic grafting of a triphenylphosphine sulfonate on SBA-15: application in palladium catalyzed hydrogenation}, journal = {Catalysis Science \& Technology}, volume = {2}, number = {6}, year = {2012}, month = {FEB}, pages = {1188-1195}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel strategy for the immobilization of a sulfonate functionalized triphenylphosphine ligand by ion-ion interactions on an imidazolium modified SBA-15 is presented. A support containing electrostatically grafted triphenylphosphine as the ligand was reacted with PdCl2( CNPh)(2) and the resulting hybrid material catalyzed olefin hydrogenation under mild conditions. The catalyst exhibits excellent activity, selectivity and stability and it can be reused for at least ten times without any loss of activity. An analogous but covalently grafted palladium system does not show any hydrogenation activity under the same conditions. TEM images of the used catalyst clearly prove the absence of palladium nanoparticles. Additionally, XPS investigations prove that palladium( 0) is formed and the phosphine is oxidized. By AAS no palladium contamination down to 0.5 X 10(-4) mmol could be detected in the products and further leaching tests verified the reaction to be truly heterogeneous. This concept of non-covalent immobilization guarantees a tight bonding of the catalytically active species to the surface in combination with a high mobility, which should be favorable for other catalyses, too.

}, issn = {2044-4753}, doi = {10.1039/c2cy00535b}, author = {Wang, Lei and Dehe, Daniel and Philippi, Thomas and Seifert, Andreas and Ernst, Stefan and Zhou, Zhou and Hartmann, Martin and Taylor, Robin N. Klupp and Singh, Anand Pal and Jia, Mingjun and Thiel, Werner R.} } @article { ISI:000335134300022, title = {Engineered glucose to generate a spectroscopic probe for studying carbohydrate biology}, journal = {Advances in Experimental Medicine and Biology}, volume = {749}, year = {2012}, note = {International Symposium on the Biochemical Role of Eukaryotic Cell Surface Macromolecules, Trivandrum, INDIA, JAN, 2011}, month = {APR}, pages = {313-327}, publisher = {SPRINGER-VERLAG BERLIN}, address = {HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY}, isbn = {978-1-4614-3380-4; 978-1-4614-3381-1}, issn = {0065-2598}, doi = {10.1007/978-1-4614-3381-1_21}, author = {Tripathi, Ashish and Singh, Vibha and Aishwarya, K. G. and Aradhyam, Gopala Krishna and Hotha, Srinivas}, editor = {Sudhakaran, PR and Surolia, A} } @article { ISI:000307039700023, title = {Enhanced magnetic parameters in the morphotropic phase boundary region of nanocrystalline multiferroic Bi1-xLaxFeO3}, journal = {Solid State Communications}, volume = {152}, number = {16}, year = {2012}, month = {AUG}, pages = {1609-1612}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Antiferromagnetic multiferroic BiFeO3 shows ferromagnetic characteristics by simultaneous substitution of Bi by La and decrease in the particle size to nanometer dimensions. Large changes in saturation and remnant magnetization, magnetic susceptibility at low and high fields, along with some anomalous changes in the magnetic transition temperature are observed in nanocrystalline Bi1-xLaxFeO3 system for 0.1 \<= x \<= 0.2. This compositional region corresponds to the morphotropic phase boundary (MPB) region separating the rhombohedral and orthorhombic phases, and the effect is similar to that observed in many ferroelectric systems. The present observation of enhanced ferromagnetic parameters in the MPB region of the nanocrystalline multiferroic La substituted BiFeO3 system, combined with the known ferroelectric characteristics, is suitable for future device applications. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Bismuth ferrite, magnetic properties, Multiferroics, Nanocrystalline materials}, issn = {0038-1098}, doi = {10.1016/j.ssc.2012.05.011}, author = {Thakuria, P. and Joy, Pattayil Alias} } @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:000297609900010, title = {Enzyme immobilization on epoxy supports in reverse micellar media: prevention of enzyme denaturation}, journal = {Journal of Molecular Catalysis B-Enzymatic}, volume = {74}, number = {1-2}, year = {2012}, month = {JAN}, pages = {54-62}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Immobilization of enzymes such as alpha-chymotrypsin (EC 3.4.21.1), yeast alcohol dehydrogenase (YADH) from Saccharomyces cerevisiae (EC 1.1.1.1) and glucose dehydrogenase (GDH) from Gluconobacter cerinus (EC 1.1.1.119) has been carried out. Copolymers of allyl glycidyl ether (AGE) crosslinked with 25\% ethylene glycol dimethacrylate (EGDM) (25 mg, dry wt) were contacted with the enzymes solubilized in reverse micellar media (0.5-5 mg/mL)(overall) of sodium bis(2-ethylhexyl) sulfosuccinate (AOT) salt in isooctane, and cetyl trimethylammonium bromide (CTAB) in chloroform-isooctane (50:50, v/v). Although the enzymes are readily denatured (\>90\%) after adsorption on the copolymer in aqueous buffers, no such adsorption-induced denaturation takes place in reverse micelles. alpha-Chymotrypsin is remarkably stable in AOT reverse micelles when 0.025 M citrate buffer of pH 9.0 containing 2 mM CaCl2 is used in the water pools instead of Tris-HCl buffer of pH 8.5. It was possible to achieve enzyme concentration of 5 mg/mL in 0.3 M AOT at molar ratio of water to surfactant, (W-0), 30 and to obtain alpha-chymotrypsin loading of 20 mg/g of copolymer. The recovered enzyme solution can be reused with a fresh batch of polymer after supplementing the depleted solution. The immobilized enzyme exhibits excellent stability in aqueous buffers at room temperature and can be recycled several times. YADH is stable in both AOT and CTAB reverse micelles while GDH is stable only in CTAB reverse micelles containing 0.05 M Tris-HCI buffer of pH 8.5. Interestingly, the combination of YADH (2.5 mg/g) and GDH (0.5 mg/g) co-immobilized on the copolymer using CTAB-chloroform-isooctane system can be used for regeneration and recycle of NADPH at least 50 times as exemplified by complete reduction of a prochiral ketoester, ethyl 4-phenyl-2,4-dioxobutyrate (10 mM) to ethyl (R)-2-hydroxy-4-phenylbutyrate (HPB ester) using NADPH (0.2 mM). (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {allyl glycidyl ether, alpha-Chymotrypsin, ethylene glycol dimethacrylate, Glucose dehydrogenase, Reverse micelles, Yeast alcohol dehydrogenase}, issn = {1381-1177}, doi = {10.1016/j.molcatb.2011.08.014}, author = {Thudi, Lahari and Jasti, Lakshmi Swarnalatha and Swarnalatha, Yalangi and Fadnavis, Nitin W. and Mulani, Khudbudin Baban and Deokar, Sarika Babasaheb and Ponrathnam, Surendra} } @article { ISI:000307433600011, title = {Formal synthesis of tetrahydrolipstatin and tetrahydroesterastin}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {11-12}, year = {2012}, month = {JUN}, pages = {884-890}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A versatile and efficient approach to (3.5,5R)-methyl 3-(benzyloxy)-5-(methoxymethoxy)hexadecanoate, a key chiral building block and a common polyol fragment of the anti-tumor and anti-obesity agents tetrahydrolipstatin 3 and tetrahydroesterastin 4 using both hydrolytic kinetic resolution (HKR) and proline catalyzed sequential alpha-aminoxylation, followed by HWE-olefination reaction is described. (c) 2012 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.05.025}, author = {Tripathi, Divya and Kumar, Pradeep} } @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:000308046400038, title = {Hybrid molecules of carvacrol and benzoyl urea/thiourea with potential applications in agriculture and medicine}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {22}, number = {17}, year = {2012}, month = {SEP}, pages = {5550-5554}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Benzoyl phenyl urea, a class of insect growth regulator{\textquoteright}s acts by inhibiting chitin synthesis. Carvacrol, a naturally occurring monoterpenoid is an effective antifungal agent. We have structurally modified carvacrol (2-methyl-5-[1-methylethyl] phenol) by introducing benzoylphenyl urea linkage. Two series of benzoylcarvacryl thiourea (BCTU, 4a-f) and benzoylcarvacryl urea (BCU, 5a-f) derivatives were prepared and characterized by elemental analysis, IR, H-1 and C-13 NMR and Mass spectroscopy. Derivatives 4b, 4d, 4e, 4f and 5d, 5f showed comparable insecticidal activity with the standard BPU lufenuron against Dysdercus koenigii. BCTU derivatives 4c, 4e and BCU 5c showed good antifungal activity against phytopathogenic fungi viz. Magnaporthe grisae, Fusarium oxysporum, Dreschlera oryzae; food spoilage yeasts viz. Debaromyces hansenii, Pichia membranifaciens; and human pathogens viz. Candida albicans and Cryptococcus neoformans. Compounds 5d, 5e and 5f showed potent activity against human pathogens. Moderate and selective activity was observed for other compounds. All the synthesized compounds were non-haemolytic. These compounds have potential application in agriculture and medicine. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Antifungal agents, Benzoyl carvacryl urea, Benzoyl phenyl urea, Crop protection agents, Insect growth regulators}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2012.07.017}, author = {Pete, Umesh D. and Zade, Chetan M. and Bhosale, Jitendra D. and Tupe, Santosh G. and Chaudhary, Preeti M. and Dikundwar, Amol G. and Bendre, Ratnamala S.} } @article { ISI:000308878400007, title = {Immobilization of enantioselective lipase on soluble supports for kinetic resolution of drug intermediates}, journal = {Journal of Bioactive and Compatible Polymers}, volume = {27}, number = {5}, year = {2012}, month = {SEP}, pages = {499-509}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

The microbial lipase, Arthrobacter sp. lipase (MTCC 5125), from the Indian Institute of Integrative Medicine repository, is known as an effective catalyst for high enantioselective kinetic resolution of drug intermediates. The ABL was immobilized on water-soluble linear supports by covalently binding it to the epoxy groups on the N-vinyl pyrrolidone/allyl glycidyl ether and N-vinyl pyrrolidone/glycidyl methacrylate copolymers. The immobilized lipase, on different soluble supports, had 90-110 mg/g protein binding and 500-700 U/g hydrolysis activities for tributyrin substrate. These copolymers had soluble/insoluble characteristics in different pH ranges, which is an advantage over insoluble copolymers. A soluble polymer at neutral pH provided better accessibility to the immobilized enzyme, which was recovered by precipitation at pH 2-3 for reuse. Kinetic resolution of racemic acyl derivatives of chiral auxiliaries and drug intermediates, namely, phenyl ethanol, aminoalcohol, and fluoxetine intermediate resulted in a significant enhancement in enantioselectivity (99\%).

}, keywords = {Arthrobacter sp lipase, Enantioselectivity, Immobilization, Kinetic resolution, N-vinylpyrrolidone, soluble polymer}, issn = {0883-9115}, doi = {10.1177/0883911512453638}, author = {Chaubey, Asha and Parshad, Rajinder and Taneja, Subhash C. and Deokar, Sarika Babasaheb and Raman, Rajan C. and Ponrathnam, Surendra} } @article { ISI:000310890600006, title = {Inheritance of resistance to root-lesion nematodes (Pratylenchus thornei and P. neglectus) in five doubled-haploid populations of wheat}, journal = {Euphytica}, volume = {188}, number = {2}, year = {2012}, month = {NOV}, pages = {209-219}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Nematode species Pratylenchus thornei and P. neglectus are the two most important root-lesion nematodes affecting wheat (Triticum aestivum L.) and other grain crops in Australia. For practical plant breeding, it will be valuable to know the mode of inheritance of resistance and whether the same set of genes confer resistance to both species. We evaluated reactions to P. thornei and P. neglectus of glasshouse-inoculated plants of five doubled-haploid populations derived from five resistant synthetic hexpaloid wheat lines, each crossed to the susceptible Australian wheat cultivar Janz. For each cross we determined genetic variance, heritability and minimum number of effective resistance genes for each nematode species. Distributions of nematode numbers for both species were continuous for all doubled-haploid populations. Heritabilities were high and the resistances were controlled by 4-7 genes. There was no genetic correlation between resistance to P. thornei and to P. neglectus in four of the populations and a significant but low correlation in one. Therefore, resistances to P. thornei and to P. neglectus are probably inherited quantitatively and independently in four of these synthetic hexaploid wheat populations, with the possibility of at least one genetic factor contributing to resistance to both species in one of the populations. Parents with the greatest level of resistance will be the best to use as donor parents to adapted cultivars, and selection of resistance to both species in early generations will be optimal to carry resistance through successive cycles of inbreeding to produce resistant cultivars for release.

}, keywords = {Aegilops tauschii, Disease resistance, Durum wheat, Germplasm development, Triticum aestivum, Wheat breeding}, issn = {0014-2336}, doi = {10.1007/s10681-012-0689-x}, author = {Thompson, John P. and Rebecca S. Zwart and Butler, David} } @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:000300859000006, title = {Nanowires of silver-polyaniline nanocomposite synthesized via in situ polymerization and its novel functionality as an antibacterial agent}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {92}, year = {2012}, month = {APR}, pages = {35-41}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {antibacterial activity, Conducting poly(aniline), In situ polymerization, Nanocomposite}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2011.11.006}, author = {Tamboli, Mohaseen S. and Kulkarni, Milind V. and Patil, Rajendra H. and Gade, Wasudeo N. and Navale, Shalaka C. and Kale, Bharat B.} } @article { ISI: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:000307143600015, title = {Overview on the cellulose based conducting composites}, journal = {Composites Part B-Engineering}, volume = {43}, number = {7, SI}, year = {2012}, month = {OCT}, pages = {2822-2826}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Biopolymer based composites have been employed in numerous applications with increasing interest not only due to renewable, eco-friendly nature, but also because of the flexibility in processing conditions and competitive cost of their end products. The conductive materials from biopolymers have been found applicable in robots, medical imaging, sensitive membranes, actuators, visual displays, electronic wiring and shielding, and components in batteries. Cellulose is one of the most abundant biopolymers in the nature, which has received special attention for development of conducting materials due to biocompatibility for protein and drug immobilization and ability to form the composites with synthetic polymers. The present review is aimed to provide concisely the current status in this field of conducting composites from cellulose, with brief discussions of associated problems and future applications. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Fibres, mechanical properties, Nano-structures, Polymer-matrix composites (PMCs)}, issn = {1359-8368}, doi = {10.1016/j.compositesb.2012.04.045}, author = {Pandey, Jitendra Kumar and Takagi, Hitoshi and Nakagaito, Antonio Norio and Saini, Daulat Ram and Ahn, Sung-Hoon} } @article { ISI:000303280000009, title = {Photocatalytic degradation of Azo dyes using Au:TiO2, gamma-Fe2O3:TiO2 functional nanosystems}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {12}, number = {2}, year = {2012}, month = {FEB}, pages = {928-936}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

We report photocatalytic degradation studies on Navy Blue HE2R (NB) dye on significant details as a representative from the class of azo dyes using functional nanosystems specifically designed to allow a strong photocatalytic activity. A modified sol-gel route was employed to synthesize Au and gamma-Fe2O3 modified TiO2 nanoparticles (NPs) at low temperature. The attachment strategy is better because it allows clear surface of TiO2 to remain open for photo-catalysis. X-ray diffraction, Raman and UV-VIS spectroscopy studies showed the presence of gold and iron oxide phases along-with the anatase TiO2 phase. TEM studies showed TiO2 nanocomposite particles of size similar to 10-12 nm. A detailed investigation on heterogeneous photocatalytic performance for Navy Blue HE2R dye was done using the as-synthesized catalysts Au:TiO2 and gamma-Fe2O3:TiO2 in aqueous suspension under 8 W low-pressure mercury vapour lamp irradiation. Also, the photocatalytic degradation of Amranth and Orange G azo dyes were studied. The surface modified TiO2 NPs showed significantly improved photocatalytic activity as compared to pure TiO2. Exposure of the dye to the UV light in the presence of pure and gold NPs attached TiO2 catalysts caused dye degradation of about similar to 20\% and similar to 80\%, respectively, in the first couple of hours. In the presence of gamma-Fe2O3 NPs attached TiO2, a remarkable similar to 95\% degradation of the azo dye was observed only in the first 15 min of UV exposure. The process parameters for the optimum catalytic activity are established which lead to a complete decoloration and substantial dye degradation, supported by the values of the Chemical Oxygen Demand (COD) similar to 93\% and Total Organic Carbon (TOC) similar to 65\% of the treated dye solution after 5 hours on the employment of the UV/Au:TiO2/H2O2 photocatalytic process.

}, keywords = {Azo Dye, COD, H2O2, Photocatalysis, TiO2}, issn = {1533-4880}, doi = {10.1166/jnn.2012.5171}, author = {Jagadale, Tushar C. and Kulkarni, Manjusha and Pravarthana, D. and Ramadan, Wegdan and Thakur, Pragati} } @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:000311072800004, title = {Preparation of spherical particles of 1,1-diamino-2,2-dinitroethene (FOX-7) using a micellar nanoreactor}, journal = {Organic Process Research \& Development}, volume = {16}, number = {11}, year = {2012}, month = {NOV}, pages = {1711-1716}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The need and preparation of spherical 1,1-diamino-2,2-dinitroethene (FOX-7) particles to meet certain special applications in high explosives and propellant formulation have been illustrated. Preparation of spherical FOX-7 particles by using a microemulsion technique has not been reported in the literature. In the present study, the preparation of spherical FOX-7 particles has been described using the novel concept of a micelle-based nanoreactor. Micelle-based nanoreactors have been prepared using a microemulsion of Triton X-100, cyclohexane, and water. Formation of spherical FOX-7 particles in the reverse micelle reactors have been described in the subsequent sections of this article. It is observed that spherical particles of FOX-7 are formed within 2 h in the microemulsion media. Analysis of the experimental results revealed that the particle size and shape of FOX-7 can be varied by changing the water/surfactant molar ratio in the microemulsion. Spherical particles synthesized by this method have diameters that are generally in the submicrometer to nanometer range. Impact sensitivity (h(50)) of the spherical particles obtained by the fall-hammer method is around 45 cm compared to regular synthesized FOX-7 (i.e., 50 +/- 5 cm) without any change in friction sensitivity, i.e. 36 kg. Loadability of the explosive charges can be enhanced by using these spherical particles of FOX-7.

}, issn = {1083-6160}, doi = {10.1021/op200386u}, author = {Mandal, Alok Kumar and Thanigaivelan, U. and Pandey, Raj Kishore and Asthana, Srinandan and Khomane, Ramdas B. and Kulkarni, Bhaskar Dattatraya} } @article { ISI:000308099200029, title = {Preparative separation of alpha- and beta-santalenes and (Z)-alpha- and (Z)-beta-santalols using silver nitrate-impregnated silica gel medium pressure liquid chromatography and analysis of sandalwood oil}, journal = {Analyst}, volume = {137}, number = {19}, year = {2012}, month = {MAY}, pages = {4564-4570}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The major sesquiterpene constituents of East-Indian sandalwood oil (Z)-alpha- and (Z)-beta-santalols have shown to be responsible for most of the biological activities and organoleptic properties of sandalwood oil. The work reported here describes the strategic use of medium pressure liquid chromatography (MPLC) for the separation of both alpha- and beta-santalenes and (Z)-alpha- and (Z)-beta-santalols. Silver nitrate impregnated silica gel was used as the stationary phase in MPLC for quantitative separation of alpha- and beta-santalenes and (Z)-alpha- and (Z)-beta-santalols with mobile phases hexane and dichloromethane, respectively. The purities of alpha-santalene and (Z)-alpha-santalol obtained were \>96\%; however, beta-santalene and (Z)-beta-santalol were obtained with their respective inseparable epi-isomers. Limits of quantification (LoQ) relative to the FID detector were measured for important sesquiterpene alcohols of heartwood oil of S. album using serial dilutions of the standard stock solutions and demonstrated that the quality of the commercial sandalwood oil can be assessed for the content of individual sesquiterpene alcohols regulated by Australian Standard (AS2112-2003), International Organization for Standardization ISO 3518: 2002 (E) and European Union (E. U.).

}, issn = {0003-2654}, doi = {10.1039/c2an35575b}, author = {Daramwar, Pankaj P. and Srivastava, Prabhakar Lal and Priyadarshini, Balaraman and Thulasiram, Hirekodathakallu V.} } @article { ISI:000301712600016, title = {Rapid self-healing hydrogels}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {109}, number = {12}, year = {2012}, month = {MAR}, pages = {4383-4388}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

Synthetic materials that are capable of autonomous healing upon damage are being developed at a rapid pace because of their many potential applications. Despite these advancements, achieving self-healing in permanently cross-linked hydrogels has remained elusive because of the presence of water and irreversible cross-links. Here, we demonstrate that permanently cross-linked hydrogels can be engineered to exhibit self-healing in an aqueous environment. We achieve this feature by arming the hydrogel network with flexible-pendant side chains carrying an optimal balance of hydrophilic and hydrophobic moieties that allows the side chains to mediate hydrogen bonds across the hydrogel interfaces with minimal steric hindrance and hydrophobic collapse. The self-healing reported here is rapid, occurring within seconds of the insertion of a crack into the hydrogel or juxtaposition of two separate hydrogel pieces. The healing is reversible and can be switched on and off via changes in pH, allowing external control over the healing process. Moreover, the hydrogels can sustain multiple cycles of healing and separation without compromising their mechanical properties and healing kinetics. Beyond revealing how secondary interactions could be harnessed to introduce new functions to chemically crosslinked polymeric systems, we also demonstrate various potential applications of such easy-to-synthesize, smart, self-healing hydrogels.

}, keywords = {adhesives, biomimetic materials, Hydrophobicity, molecular dynamics, smart materials}, issn = {0027-8424}, doi = {10.1073/pnas.1201122109}, author = {Phadke, Ameya and Zhang, Chao and Arman, Bedri and Hsu, Cheng-Chih and Mashelkar, Raghunath Anant and Lele, Ashish K. and Tauber, Michael J. and Arya, Gaurav and Varghese, Shyni} } @article { ISI:000302535600002, title = {Solvent-free one-pot synthesis of sulfonephthaleins from saccharin and phenols}, journal = {Synthetic Communications}, volume = {42}, number = {8}, year = {2012}, month = {OCT}, pages = {1101-1107}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Sulfonephthaleins can be synthesized in a single pot from saccharin and phenol via the in situ formation of 2-sulfobenzoic anhydride, followed by its reaction with phenol using H2SO4 as the condensing agent, in the absence of any solvent. This solvent-free synthesis is more economical and environmentally benign.

}, keywords = {H2SO4, Phenols, saccharin, sulfonephthalein}, issn = {0039-7911}, doi = {10.1080/00397911.2010.535946}, author = {Tillu, V. H. and Dumbre, Deepa K. and Borate, Hanumant B. and Wakharkar, R. D. and Choudhary, Vasant R.} } @article { ISI: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: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: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 {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:000307308000020, title = {Transesterification of diethyl oxalate with phenol over sol-gel MoO3/TiO2 catalysts}, journal = {Chemsuschem}, volume = {5}, number = {8}, year = {2012}, month = {JUL}, pages = {1467-1473}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The transesterification of diethyl oxalate (DEO) with phenol to form diphenyl oxalate (DPO) has been carried out in the liquid phase over very efficient MoO3/TiO2 solid-acid solgel catalysts. A selectivity of 100?\% with a remarkable maximum yield of 88?\% were obtained, which opens the route to downstream phosgene-free processes for the synthesis of polycarbonates. Interpretation of the results of various acidity measurements (NH3 and pyridine desorption, methanol oxidation as a probe reaction) allowed us to identify the catalytic sites as Lewis acid sites.

}, keywords = {heterogeneous catalysis, Lewis acids, Oxidation, sol-gel processes, transesterification}, issn = {1864-5631}, doi = {10.1002/cssc.201100802}, author = {Kotbagi, Trupti and Duy Luan Nguyen and Lancelot, Christine and Lamonier, Carole and Thavornprasert, Kaew-Arpha and Zhu Wenli and Capron, Mickael and Jalowiecki-Duhamel, Louise and Shubhangi B. Umbarkar and Dongare, Mohan K. and Dumeignil, Franck} } @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 { ISI:000300462600010, title = {Viscosity dependence of intra- and intermolecular diels-alder reactions}, journal = {Journal of Physical Chemistry A}, volume = {116}, number = {4}, year = {2012}, month = {FEB}, pages = {1191-1198}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The kinetics of the bimolecular Die Is Alder reaction between anthracene-9-carbinol and N-ethyl maleimide have been studied in a series of pyridinium-based ionic liquids with the tetrafluoroborate ([BF4](-)) and the bis(trifluorosulfonimide) ([NTf2](-)) anions and the viscosity dependence of the rate constants have been compared with the results for the intramolecular Diels Alder reaction of (E)-1-phenyl-4-[2-(3-methyl-2-butenyloxy)benzylidene]-5-pyrazolone. The comparison leads to the surprising observation that the intermolecular reaction is less susceptible to viscosity variations of the ionic liquids as compared to the intramolecular reaction. The observed similarities and differences emphasize the complicated nature of solvent friction on the kinetics of cycloaddition reactions. The results are explained by considering the bimolecular and intramolecular processes as cases of translational and rotational diffusion, respectively. Plausible indicators of microviscosity consistent with the kinetic data for the Diels-Alder reactions are briefly discussed along with the constraints involved in designing a general microviscosity scale.

}, issn = {1089-5639}, doi = {10.1021/jp208989z}, author = {Tiwari, Shraeddha and Kumar, Anil} } @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: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:000318296700031, title = {Biocatalysis: fungi mediated novel and selective 12 beta- or 17 beta-hydroxylation on the basic limonoid skeleton}, journal = {Green Chemistry}, volume = {15}, number = {5}, year = {2013}, month = {MAR}, pages = {1311-1317}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Basic limonoids carrying a 4,4,8-trimethyl-17-furanylsteroid skeleton are a class of triterpenoids and well-known for their insecticidal as well as a vast array of pharmacological activities. Rare and synthetically challenging 12 beta- and 17 beta-hydroxylation was achieved on the basic limonoid skeleton to produce a novel series of hydroxylated limonoids using fungi-mediated biocatalysis. The fungal system belonging to the genera of Mucor efficiently converted azadiradione, epoxyazadiradione, gedunin and their derivatives into corresponding 12 beta- and/or 17 beta-hydroxy derivatives. The position and stereochemistry of hydroxylation was determined by rigorous spectroscopic and crystallographic studies. This fungi-mediated stereo- and regio-selective hydroxylation process was highly efficient and mild enough to sustain chemically sensitive functional groups around the basic limonoid skeleton. Modifications of specific functional groups and variation in biocatalyst were shown to bring selectivity among 12 beta- or 17 beta-hydroxylation.

}, issn = {1463-9262}, doi = {10.1039/c3gc40193f}, author = {Haldar, Saikat and Kolet, Swati P. and Thulasiram, Hirekodathakallu V.} } @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:000319992200002, title = {Biochemical correlate of dimorphism in a zygomycete benjaminiella poitrasii: characterization of purified NAD-dependent glutamate dehydrogenase, a target for antifungal agents}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {104}, number = {1}, year = {2013}, month = {JUL}, pages = {25-36}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The fungal organisms, especially pathogens, change their vegetative (Y, unicellular yeast and H, hypha) morphology reversibly for survival and proliferation in the host environment. NAD-dependent glutamate dehydrogenase (NAD-GDH, EC 1.4.1.2) from a non-pathogenic dimorphic zygomycete Benjaminiella poitrasii was previously reported to be an important biochemical correlate of the transition process. The enzyme was purified to homogeneity and characterized. It is a 371 kDa native molecular weight protein made up of four identical subunits. Kinetic studies showed that unlike other NAD-GDHs, it may act as an anabolic enzyme and has more affinity towards 2-oxoglutarate than l-glutamate. Chemical modifications revealed the involvement of single histidine and lysine residues in the catalytic activity of the enzyme. The phosphorylation and dephosphorylation study showed that the NAD-GDH is present in active phosphorylated form in hyphal cells of B. poitrasii. Two of the 1,2,3 triazole linked beta-lactam-bile acid conjugates synthesized in the laboratory (B18, B20) were found to be potent inhibitors of purified NAD-GDH which also significantly affected Y-H transition in B. poitrasii. Furthermore, the compound B20 inhibited germ tube formation during Y-H transition in Candida albicans strains and Yarrowia lipolytica. The possible use of NAD-GDH as a target for antifungal agents is discussed.

}, keywords = {Antifungal agent, Benjaminiella poitrasii, Biochemical correlate of dimorphism, Candida albicans, NAD-GDH activity regulation, Yarrowia lipolytica, Yeast-hypha reversible transition}, issn = {0003-6072}, doi = {10.1007/s10482-013-9921-5}, author = {Joshi, C. V. and Pathan, E. K. and Punekar, N. S. and Tupe, S. G. and Kapadnis, B. P. and Deshpande, Mukund 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:000326660900038, title = {Carrier free co-immobilization of alpha amylase, glucoamylase and pullulanase as combined cross-linked enzyme aggregates (combi-CLEAs): a tri-enzyme biocatalyst with one pot starch hydrolytic activity}, journal = {Bioresource Technology}, volume = {147}, year = {2013}, month = {NOV}, pages = {269-275}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A tri-enzyme biocatalyst {\textquoteleft}{\textquoteleft}combi-CLEAs{\textquoteright}{\textquoteright} with starch hydrolytic activity was prepared from commercially available alpha amylase, glucoamylase and pullulanase preparations by aggregating enzymes with ammonium sulphate followed by cross-linking formed aggregates for 4.5 h with 40 mM glutaraldehyde. The effects of precipitant type and cross-linking were studied and the biocatalyst was characterized. Scanning electron microscopy analysis showed that tri-enzyme biocatalyst was of spherical structure. For one pot starch hydrolytic activity, shift in optimum pH from 6 to 7 and temperature from 65 to 75 degrees C were observed after co-immobilization of enzymes. After one pot starch hydrolysis reaction in batch mode, 100\%, 60\% and 40\% conversions were obtained with combi-CLEAs, separate CLEAs mixture and free enzyme mixture, respectively. Co-immobilization also enhanced the thermal stability of enzymes. Finally, the catalytic activity of enzymes in combi-CLEAs during one pot starch hydrolysis was well maintained up to five cycles without performance changes. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Alpha amylase, Combined cross-linked enzyme aggregates (combi-CLEAs), Glucoamylase, One pot starch hydrolysis, Pullulanase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2013.08.035}, author = {Talekar, Sachin and Pandharbale, Amol and Ladole, Mayur and Nadar, Shamraja and Mulla, Mosin and Japhalekar, Kshitija and Pattankude, Kishori and Arage, Devika} } @article { ISI:000313230200031, title = {Catalytic and DFT study of selective ethylene oligomerization by nickel(II) oxime-based complexes}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {366}, year = {2013}, month = {JAN}, pages = {238-246}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The reactivity of nickel(II) thiophenealdoxime complex (3) toward oligomerization of ethylene in the presence of an alkylaluminum co-catalyst has been studied. The complex was found to be a selective ethylene dimerization catalyst in the presence of co-catalysts such as methylalumoxane (MAO) and diethylaluminum chloride (DEAC). With DEAC, the productivity was considerably higher than with MAO. Under optimum conditions the productivity reaches 388 kg/mol catalyst/h/bar with DEAC whereas for MAO this value was 119 kg/mol catalyst/h/bar. Complex 3 displays good ethylene conversions of up to a maximum of 90\% with exceptionally high alpha-selectivity for 1-butene (\>99.5\%) amongst C-4 products. Computational studies using density functional theory (DFT) were also carried out to ascertain the decomposition pathway for 3 as well as that for Ni(II) complex of the pyridine ketoxime ligand 2. The results suggest that loss of one of the two bidentate oxime ligands attached to the metal center through reaction with DEAC is likely for both 2 and 3. Further, calculations indicate that the subsequent decomposition step was significantly more probable for 3 than for 2 thus explaining why the pyridine ketoxime ligand bound nickel complex 2 was experimentally found to be more stable than the thiophene aldoxime bound nickel complex 3. Calculations also show that the proton of the -OH group (oxime) plays a major role in the stability of the molecules. This was confirmed experimentally by synthesizing the Ni(II) dichloro complex of Pyridine-2-carbaldehyde O-methyloxime 5 and reacting it with ethylene under similar conditions. 5 was found to be highly active even at low co-catalyst concentrations. (c) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Butene-1, Ethylene dimerization, Ni(II) complex, Thiophene aldoxime}, issn = {1381-1169}, doi = {10.1016/j.molcata.2012.09.029}, author = {Tayade, Kamlesh N. and Mane, Manoj V. and Sen, Suman and Murthy, C. N. and Tembe, Gopal L. and Pillai, S. Muthukumaru and Vanka, Kumar and Mukherjee, Soumen} } @article { ISI:000317204600005, title = {Chitin synthase inhibitors as antifungal agents}, journal = {Mini-Reviews in Medicinal Chemistry}, volume = {13}, number = {2}, year = {2013}, month = {FEB}, pages = {222-236}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Increased risk of fungal diseases in immunocompromised patients, emerging fungal pathogens, limited repertoire of antifungal drugs and resistance development against the drugs demands for development of new and effective antifungal agents. With greater knowledge of fungal metabolism efforts are being made to inhibit specific enzymes involved in different biochemical pathways for the development of antifungal drugs. Chitin synthase is one such promising target as it is absent in plants and mammals. Nikkomycin Z, a chitin synthase inhibitor is under clinical development. Chitin synthesis in fungi, chitin synthase as a target for antifungal agent development, different chitin synthase inhibitors isolated from natural sources, randomly synthesized and modified from nikkomycin and polyoxin are discussed in this review.

}, keywords = {Antifungal agents, Chitin synthase, Chitin synthase inhibitors, Nikkomycin, Peptidyl nucleoside antibiotics, Polyoxin}, issn = {1389-5575}, author = {Chaudhary, Preeti M. and Tupe, Santosh G. and Deshpande, Mukund V.} } @article { ISI:000319275700021, title = {Copolymerization of ethylene with unsaturated alcohols and methylmethacrylate using a silylated alpha-diimine nickel catalyst: molecular modeling and photodegradation studies}, journal = {Journal of Applied Polymer Science}, volume = {129}, number = {4}, year = {2013}, month = {AUG}, pages = {1820-1832}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

In this article, the experimental results obtained in the copolymerization of ethylene with polar monomers using a silylated -diimine nickel catalyst are described and compared with those obtained with a non-silylate similar one. The results show that the introduction of a siliyl group in the para-position of the imine moiety turns the catalyst less sensitive toward polar functionalities. However, the reactivity observed in copolymerization reactions was found to be reduced both the global polymerization and incorporation rates. Molecular modeling calculation allowed us to understand both the preferred insertion mode and the intermediate product structures for E/MMA copolymerization. Photodegradation studies showed that the presence of polar groups in the copolymers increases their rate of oxidation and turn them more easily degradable. The stabilization performed by Tinuvin 770 showed that for long-exposure times, it is not very effective regardless it is only mixed or grafted to the copolymer. (c) 2012 Wiley Periodicals, Inc.

}, keywords = {ageing, copolymers, Degradation, grafting}, issn = {0021-8995}, doi = {10.1002/app.38889}, author = {Matos, Ines and Fernandes, Susete N. and Liu, Hua-Rong and Tevtia, Amit K. and Singh, R. P. and Manda, Lemos and Lemos, Francisco and Marques, Maria M.} } @article { ISI:000326058500009, title = {Crystallization kinetics of Sn-MFI molecular sieve formation by dry gel cross mark conversion method}, journal = {Microporous and Mesoporous Materials}, volume = {182}, year = {2013}, month = {DEC}, pages = {73-80}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The conversion of amorphous stannosilicate dry gel into crystalline molecular sieve with MFI structure (Sn-MFI) was achieved by dry gel conversion (DGC) method at 413, 443 and 473 K. For comparison purpose, Sn-MFI molecular sieve with similar SiO2/SnO2 mole ratio was also obtained by hydrothermal crystallization route. Crystallization curves were established by conducting time dependant studies on progressive crystallization processes for both the systems. The values of activation energy of nucleation (E-n), activation energy of crystallization (E-c), and their pre-exponential factors (InA(n), InA(c) respectively) were calculated from Arrhenius plots. Compared to the hydrothermal method, shorter induction period was observed when DGC method was employed. Both the E-n (49.70 kJ/mol) and E-c (52.82 kJ/mol) for DGC method were found to be lower than that of the E-n (55.70 kJ/mop and E-c (60.23 kJ/mol) for hydrothermal method. The kinetics parameters viz. K and q were derived from kinetic expressions and DGC method showed higher value of K and lower value of q compared to hydrothermal crystallization method at identical temperature. Various DGC method parameters such as water content at the bottom of autoclave and SiO2/SnO2 mole ratio have shown the influence on the kinetics of crystallization of Sn-MFI. (C) 2013 Elsevier Inc. All rights reserved.

}, keywords = {Crystallization, DGC, kinetics, Nucleation, Sn-MFI}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2013.08.026}, author = {Niphadkar, P. S. and Tangale, N. P. and Joshi, P. N. and Awate, S. V.} } @article { ISI:000319610100005, title = {Cyanate ester resins containing pentadecyl-substituted cyclohexyl moiety: synthesis, curing and structure-property relationship}, journal = {High Performance Polymers}, volume = {25}, number = {3}, year = {2013}, month = {MAY}, pages = {278-286}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

Cyanate ester (CE) monomers containing pentadecyl-substituted cyclohexyl moieties such as 1,1-bis(4-cyanatophenyl) 3-pentadecylcyclohexane and 1,1-bis(4-cyanatophenyl) cyclohexane were synthesized and characterized by Fourier transform infrared, proton-nuclear magnetic resonance (H-1-NMR) and carbon-nuclear magnetic resonance (C-13-NMR) spectroscopies as well as differential scanning calorimetry (DSC). Both 1,1-bis(4-cyanatophenyl) 3-pentadecylcyclohexane and 1,1-bis(4-cyanatophenyl) cyclohexane exhibited better processability coupled with lower melting points, lower cure onset with broad cure exotherm than the commercially available CE monomer, namely, 2,2-bis(4-cyanatophenyl) propane. Glass transition temperatures of cured 2,2-bis(4-cyanatophenyl) propane, 1,1-bis(4-cyanatophenyl) cyclohexane and 1,1-bis(4-cyanatophenyl) 3-pentadecylcyclohexane were observed to be 288 degrees C, 302 degrees C and 160 degrees C, respectively. Cured 1,1-bis(4-cyanatophenyl) cyclohexane displayed higher storage modulus (1.59 x 10(9) Pa) than 1,1-bis(4-cyanatophenyl) 3-pentadecylcyclohexane (1.07 x 10(9) Pa) and 2,2-bis(4-cyanatophenyl) propane (1.39 x 10(9) Pa). The order of thermal stability of cured polycyanurates was found to be 2,2-bis(4-cyanatophenyl) propane \> 1,1-bis(4-cyanatophenyl) cyclohexane \> 1,1-bis(4-cyanato phenyl) 3-pentadecylcyclohexane. The moisture absorption of cured resins derived from 1,1-bis(4-cyanatophenyl) 3-pentadecyl cyclohexane and 1,1-bis(4-cynatophenyl) cyclohexane was found to be lower than that of 2,2-bis(4-cynatophenyl) propane implying the role of pentadecyl substituent and/or cyclohexyl moiety in imparting hydrophobicity to the polycyanurates.

}, keywords = {(pentadecyl substituted) cyclohexyl, curing, cyanate ester resin, thermosets}, issn = {0954-0083}, doi = {10.1177/0954008312463738}, author = {Kulkarni, Arun D. and Tawade, Bhausaheb V. and Wadgaonkar, Prakash P.} } @article { ISI:000323644600046, title = {Defluoridation of drinking water using pural (R) MG-20 mixed hydroxide adsorbent}, journal = {Water Air and Soil Pollution}, volume = {224}, number = {9}, year = {2013}, month = {SEP}, pages = {1727}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The potential ofmixed alumina-magnesia hydroxide adsorbent (PURAL (R) MG-20) for defluoridation of drinking water using batch and continuous mode of operations has been reported in the present article. Systematic adsorption experiments were carried out to elucidate the effects of different process parameters such as adsorbent dose, initial fluoride concentration, pH of the solution and effect of other ions (usually present in groundwater). These studies were aimed to understand the adsorption behaviour of the PURAL (R) MG-20 adsorbents. Fluoride adsorption by PURAL (R) MG-20 sorbent was found pH dependent. Maximum fluoride removal efficiency was observed in the range of pH 5-7. Langmuir isotherm described the data better than Freundlich and Temkin isotherm models and the adsorption capacity was found to be 5.62 mg g(-1) at initial fluoride concentration of 5.13 mg L-1, pH 7 and contact time 24 h. The kinetic result shows that the fluoride sorption follows pseudo-second-order kinetics. Column breakthrough studies were performed to test the performance of the adsorbent media at continuous mode of operation. Thus, it can be concluded that PURAL (R) MG-20 adsorbent can be used directly for field applications since it shows high fluoride uptake capacity under simulated drinking water conditions and it is also commercially available.

}, keywords = {Breakthrough studies, Defluoridation of drinking water, Kinetic modelling, Mixed hydroxide adsorbent}, issn = {0049-6979}, doi = {10.1007/s11270-013-1727-6}, author = {Patankar, Gaurang V. and Tambe, Amruta S. and Kulkarni, Bhaskar D. and Malyshew, Alexander and Kamble, Sanjay P.} } @article { ISI:000327803900050, title = {Dehydrogenation of cyclohexanol over Cu/Al2O3 catalysts prepared with different precipitating agents}, journal = {Applied Catalysis A-General}, volume = {467}, year = {2013}, month = {OCT}, pages = {421-429}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Dehydrogenation of cyclohexanol over Cu/Al2O3 catalysts (molar Cu:Al = 1:1) prepared by reduction of mixed oxide precursors synthesized using different precipitating agents viz, potassium carbonate, tetraalkyl ammonium hydroxides (TAAOHs) and urea was investigated. In order to assess the efficacy of TAAOH further, the chain length of tetraalkyl ammonium cations was also varied and the resulted catalysts were evaluated for their catalytic performance. The catalysts were characterized by powder X-ray diffraction, low temperature nitrogen adsorption, temperature programmed desorption of ammonia and UV-visible diffuse reflectance spectroscopy. The dependence of the catalyst performance on the precipitating agent employed during its synthesis has been clearly demonstrated. The use of TAAOH as precipitating agent led to the formation of a catalyst with better catalytic activity than those prepared using potassium carbonate and urea. Further improvement in the catalytic performance was observed when TAAOH with longer alkyl chain ammonium cation was used. The optimum catalyst prepared by reduction of mixed oxide precursor synthesized using tetrapropyl ammonium hydroxide as precipitating agent, showed highest cyclohexanol conversion (81.5\%) and cyclohexanone selectivity (79.6\%) at 250 degrees C on account of higher Cu+/Cu-0 ratio, well dispersed copper, higher surface area and lower total acidity with higher contribution of sites with moderate strength. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Characterization, Cu/Al2O3, Cyclohexanol dehydrogenation, Precipitating agent, Tetraalkyl ammonium hydroxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.07.063}, author = {Tangale, Nilesh P. and Niphadkar, Prashant S. and Deshpande, Shilpa S. and Joshi, Praphulla N.} } @article { ISI:000329137400081, title = {Design of a high performance thin all-solid-state supercapacitor mimicking the active interface of its liquid-state counterpart}, journal = {ACS Applied Materials \& Interfaces}, volume = {5}, number = {24}, year = {2013}, month = {DEC}, pages = {13397-13404}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here we report an all-solid-state supercapacitor (ASSP) which closely mimics the electrode-electrolyte interface of its liquid-state counterpart by impregnating polyaniline (PANO-coated carbon paper with polyvinyl alcohol-H2SO4 (PVA-H2SO4) gel/plasticized polymer electrolyte. The well penetrated PVA-H2SO4 network along the porous carbon matrix essentially enhanced the electrode-electrolyte interface of the resulting device with a very low equivalent series resistance (ESR) of 1 Omega/cm(2) and established an interfacial structure very similar to a liquid electrolyte. The designed interface of the device was confirmed by cross-sectional elemental mapping and scanning electron microscopy (SEM) images. The PANI in the device displayed a specific capacitance of 647 F/g with an areal capacitance of 1 F/cm(2) at 0.5 A/g and a capacitance retention of 62\% at 20 A/g. The above values are the highest among those reported for any solid-state-supercapacitor. The whole device, including the electrolyte, shows a capacitance of 12 F/g with a significantly low leakage current of 16 mu A(2). Apart from this, the device showed excellent stability for 10000 cycles with a coulombic efficiency of 100\%. Energy density of the PANI in the device is 14.3 Wh/kg.

}, keywords = {all-solid-state, cyclic voltametry, impedance analysis, polyaniline, polyvinyl alcohol, supercapacitor}, issn = {1944-8244}, doi = {10.1021/am404320e}, author = {Anothumakkool, Bihag and Torris, Arun A. T. and Bhange, Siddheshwar N. and Unni, SreeKuttan M. and Badiger, Manohar V. and Kurungot, Sreekumar} } @article { ISI:000319417100005, title = {Design, synthesis, structural characterization by IR, 1H, 13C, 15N, 2D-NMR, X-ray diffraction and evaluation of a new class of phenylaminoacetic acid benzylidene hydrazines as pfENR inhibitors}, journal = {Chemical Biology \& Drug Design}, volume = {81}, number = {6}, year = {2013}, month = {JUN}, pages = {715-729}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Recent studies have revealed that plasmodial enoyl-ACP reductase (pfENR, FabI), one of the crucial enzymes in the plasmodial type II fatty acid synthesis II (FAS II) pathway, is a promising target for liver stage malaria infections. Hence, pfENR inhibitors have the potential to be used as causal malarial prophylactic agents. In this study, we report the design, synthesis, structural characterization and evaluation of a new class of pfENR inhibitors. The search for inhibitors began with a virtual screen of the iResearch database by molecular docking. Hits obtained from the virtual screen were ranked according to their Glide score. One hit was selected as a lead and modified to improve its binding to pfENR; from this, a series of phenylamino acetic acid benzylidene hydrazides were designed and synthesized. These molecules were thoroughly characterized by IR, 1H, 13C, 15N, 2D-NMR (COSY, NOESY, 1H-13C, 1H-15N HSQC and HMBC), and X-ray diffraction. NMR studies revealed the existence of conformational/configurational isomers around the amide and imine functionalities. The major species in DMSO solution is the E, E form, which is in dynamic equilibrium with the Z, E isomer. In the solid state, the molecule has a completely extended conformation and forms helical structures that are stabilized by strong hydrogen bond interactions, forming a helical structure stabilized by N-H...O interactions, a feature unique to this class of compounds. Furthermore, detailed investigation of the NMR spectra indicated the presence of a minor impurity in most compounds. The structure of this impurity was deduced as an imidazoline-4-one derivative based on 1H-13C and 1H-15H HMBC spectra and was confirmed from the NOESY spectra. The molecules were screened for in vitro activity against recombinant pfENR enzyme by a spectrophotometric assay. Four molecules, viz. 17, 7, 10, and 12 were found to be active at 7, 8, 10, and 12m concentration, respectively, showing promising pfENR inhibitory potential. A classification model was derived based on a binary QSAR approach termed recursive partitioning (RP) to highlight structural characteristics that could be tuned to improve activity.

}, keywords = {ADMET, docking, enoyl-ACP reductase, FabI, hydrogen bonding, NMR, phenylaminoacetic acid benzylidene hydrazine, Plasmodium falciparum, Plasmodium falciparum enoyl-ACP reductase, QSAR, recursive partitioning, X-ray diffraction}, issn = {1747-0277}, doi = {10.1111/cbdd.12118}, author = {Samal, Ramanuj P. and Khedkar, Vijay M. and Pissurlenkar, Raghuvir R. S. and Bwalya, Angela Gono and Tasdemir, Deniz and Joshi, Ramesh A. and Rajamohanan, P. R. and Puranik, Vedavati G. and Coutinho, Evans C.} } @article { ISI: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:000316637200009, title = {Effect of organic modification on the intercalation and the properties of poly(phenylene oxide)/polystyrene blend-clay nanocomposites}, journal = {Journal of Thermoplastic Composite Materials}, volume = {26}, number = {3}, year = {2013}, month = {APR}, pages = {392-415}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

Nanocomposites prepared by the dispersion of unmodified and organically modified montmorillonite (MMT) clay into poly(2,6-dimethyl phenylene oxide)/polystyrene miscible blend in the range of 2-10 wt\% clay were investigated by wide-angle x-ray diffraction, transmission electron microscopy, differential scanning calorimetry, thermogravimetric analysis and tensile mechanical tests. The systems based on unmodified sodium MMT (Na+MMT) as well as Cloisite 20A, Cloisite 30B and Cloisite 10A organically modified clays showed polymer intercalation. The glass transition temperature (T-g) value was not affected by the volume fraction of clay and chemical nature of the organoclay. The thermal degradation stability of nanocomposites is found to be only slightly better than that of the blend matrix. A percolation threshold of around 4 wt\% organoclay loading is observed. An improvement of 35\% relative to unfilled polymer blend matrix is observed for the modulus, for Cloisite 20A nanocomposite containing 2 wt\% organoclay. The observed modulus improvement with significant retention of elongational tensile strength and tensile ductility in case of unmodified Na-MMT and Cloisite 30B nanocomposites appears promising. The modulus prediction using Halpin-Tsai model is found to be closer to the experimental data when MMT volume fraction rather than the organoclay volume fraction is used.

}, keywords = {filler, interface, interphase, mechanical properties, Nanostructures, Polymer-matrix composites}, issn = {0892-7057}, doi = {10.1177/0892705712439559}, author = {Tiwari, Rajkiran R. and Natarajan, Upendra} } @article { ISI:000324927300004, title = {Expedient preparative isolation, quantification and characterization of limonoids from neem fruits}, journal = {Analytical Methods}, volume = {5}, number = {20}, year = {2013}, month = {AUG}, pages = {5386-5391}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Major basic limonoids from Neem fruits such as azadirone, epoxyazadiradione and azadiradione were isolated in preparative scale using an automated and rapid medium pressure liquid chromatography (MPLC)-based protocol. They were individually quantified using HPLC. An LC-ESI-MS/MS-based rapid identification technique was developed for the high-throughput screening of these limonoids in phytochemical extracts.

}, issn = {1759-9660}, doi = {10.1039/c3ay41136b}, author = {Haldar, Saikat and Phapale, Prasad B. and Kolet, Swati P. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000316812800023, title = {Facile strategy for synthesis of ,-heterobifunctionalized poly (epsilon-caprolactones) and poly (methyl methacrylate)s containing {\textquoteleft}{\textquoteleft}clickable{\textquoteright}{\textquoteright} aldehyde and allyloxy functional groups using initiator approach}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {51}, number = {9}, year = {2013}, month = {MAY}, pages = {2091-2103}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Two new initiators, namely, 4-(4-(2-(4-(allyloxy) phenyl)-5-hydroxypentane 2-yl) phenoxy)benzaldehyde and 4-(4-(allyloxy) phenyl)-4-(4-(4-formylphenoxy) phenyl) pentyl 2-bromo-2-methyl propanoate containing clickable hetero-functionalities namely aldehyde and allyloxy were synthesized starting from commercially available 4,4-bis(4-hydroxyphenyl) pentanoic acid. These initiators were utilized, respectively, for ring opening polymerization of epsilon-caprolactone and atom transfer radical polymerization of methyl methacrylate. Well-defined -aldehyde, -allyloxy heterobifunctionalized poly(epsilon-caprolactones) (Mn,GPC: 590029,000, PDI: 1.261.43) and poly(methyl methacrylate)s (Mn,GPC: 530028800, PDI: 1.191.25) were synthesized. The kinetic study of methyl methacrylate polymerization demonstrated controlled polymerization behavior. The presence of aldehyde and allyloxy functionality on polymers was confirmed by 1H NMR spectroscopy. Aldehyde-aminooxy and thiol-ene metal-free double click strategy was used to demonstrate reactivity of functional groups on polymers. (c) 2013 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013, 51, 2091-2103

}, keywords = {atom transfer radical polymerization, Click chemistry, functional polymers, ring opening polymerization}, issn = {0887-624X}, doi = {10.1002/pola.26598}, author = {Sane, Prakash S. and Tawade, Bhausaheb V. and Parmar, Indravadan and Kumari, Savita and Nagane, Samadhan and Wadgaonkar, Prakash P.} } @article { ISI: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:000327071100001, title = {Hollow nanogold/meso-magnetite composite: pulsed laser synthesis, properties, and biosensing application}, journal = {Journal of Nanoparticle Research}, volume = {15}, number = {12}, year = {2013}, month = {NOV}, pages = {Article No. UNSP 2081}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A facile and template-free UV (Excimer) laser photolysis process is demonstrated to transform a Fe-complex into unique hollow Fe3O4 nanosphere morphology with each sphere having nanometric pores and an opening. Depending on the Fe-complex concentration and processing time interesting configurations are seen to evolve. When an identical process is applied to a mixture of Fe-complex and chloroauric acid an enthrallingly decorated Au-Fe3O4 nanostructure evolves, with Au nanoparticles surface-loaded on mesospheric Fe3O4. This room temperature process implemented under normal laboratory conditions is clearly versatile and applicable to heterojunction nanomaterials synthesis in a single-step process. The potential application of these gold-decorated magnetic nanostructures was also investigated for immuno-magnetic capture of E. coli in biosensing and these were found to be sensitive even below 1,000 cfu/ml. The test results demonstrate linear sensing response in the range of 10(3)-10(5) cfu/ml. We also show that these nanostructures can be used for simple electrical conductivity-based biosensing since they show dramatic conductivity change in a simple drop-cast test. A new laser-based approach to the synthesis of unique hollow sphere morphology of magnetite (Fe3O4) without and with Au nanoparticle decoration is presented. The potential application of these gold-decorated magnetic nanostructures was also investigated for immuno-magnetic capture of E. coli in biosensing and these were found to be sensitive even below 1,000 cfu/ml.

}, keywords = {E. coli cells, Fe-complex, Meso-magnetite, Nanobiotechnology, Nanocomposite, Pulse laser irradiation}, issn = {1388-0764}, doi = {10.1007/s11051-013-2081-8}, author = {Chaudhari, Nilima and Warule, Sambhaji and Agrawal, Shailaja and Thakare, Vishal and Jouen, Samuel and Hannoyer, Beatrice and Kale, Bharat and Paknikar, Kishore and Ogale, Satishchandra B.} } @article { ISI:000324316300042, title = {Identification of molecular crystals capable of undergoing an acyl-transfer reaction based on intermolecular interactions in the crystal lattice}, journal = {Chemistry-A European Journal}, volume = {19}, number = {38}, year = {2013}, month = {SEP}, pages = {12867-12874}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Investigation of the intermolecular acyl-transfer reactivity in molecular crystals of myo-inositol orthoester derivatives and its correlation with crystal structures enabled us to identify the essential parameters to support efficient acyl-transfer reactions in crystals: 1)the favorable geometry of the nucleophile (OH) and the electrophile (CO) and 2)the molecular assembly, reinforced by CH interactions, which supports a domino-type reaction in crystals. These parameters were used to identify another reactive crystal through a data-mining study of the Cambridge Structural Database. A 2:1 co-crystal of 2,3-naphthalene diol and its di-p-methylbenzoate was selected as a potentially reactive crystal and its reactivity was tested by heating the co-crystals in the presence of solid sodium carbonate. A facile intermolecular p-toluoyl group transfer was observed as predicted. The successful identification of reactive crystals opens up a new method for the detection of molecular crystals capable of exhibiting acyl-transfer reactivity.

}, keywords = {Acylation, domino reactions, intermolecular interactions, solid-state reactions, X-ray diffraction}, issn = {0947-6539}, doi = {10.1002/chem.201301058}, author = {Tamboli, Majid I. and Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000318577600145, title = {Liquefied petroleum gas sensing performance of cerium doped copper ferrite}, journal = {Ceramics International}, volume = {39}, number = {5}, year = {2013}, month = {JUL}, pages = {5901-5907}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Undoped and cerium (Ce) doped nanocrystalline copper ferrite (CuFe2O4) materials were synthesized via the molten-salt (M-S) method. Effects of Ce doping on the structural, morphological and gas sensing properties of the CuFe2O4 ferrite have been investigated. X-ray diffraction (XRD) analysis revealed the formation of spinel CuFe2O4. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) investigations showed that the synthesized ferrite is made up of very fine spherical nanoparticles. Moreover, the gas sensing properties of sintered samples were studied towards different reducing gases such as liquefied petroleum gas (LPG), acetone, ethanol and ammonia. The sample with 4\% cerium doped CuFe2O4 (Ce4) showed the maximum gas sensitivity (86\%) towards LPG with fast response time of 5 s and good recovery time of 68 s. (C) 2013 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {Ferrite, Gas sensor, Molten-salt method, TEM}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2013.01.010}, author = {Khandekar, M. S. and Tarwal, N. L. and Patil, J. Y. and Shaikh, F. I. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000313913300036, title = {Low-pressure synthesis and characterization of hydrogen-filled ice ic}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {5}, year = {2013}, month = {DEC}, pages = {1531-1534}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {Clathrates, cubic ice, hydrates, Hydrogen}, issn = {1433-7851}, doi = {10.1002/anie.201208367}, author = {Kumar, Rajnish and Klug, Dennis D. and Ratcliffe, Christopher I. and Tulk, Christopher A. and Ripmeester, John A.} } @article { ISI:000326207600024, title = {Mechanism of action of novel synthetic dodecapeptides against Candida albicans}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1830}, number = {11}, year = {2013}, month = {NOV}, pages = {5193-5203}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Background: Three de novo designed low molecular weight cationic peptides (IJ2, IJ3 and IJ4) containing an unnatural amino acid alpha,beta-didehydrophenylalanine (APhe) exhibited potent antifungal activity against fluconazole (FLC) sensitive and resistant clinical isolates of Candida albicans as well as non-albi cans and other yeast and filamentous pathogenic fungi. In the present study, their synthesis, susceptibility of different fungi and the mechanism of anti-candidal action have been elucidated. Methods: The antimicrobial peptides (AMPs) were synthesized by solid-phase method and checked for antifungal activity against different yeasts and fungi by broth microdilution method. Anti-candidal mode of action of the peptides was investigated through detecting membrane permeabilization by confocal microscopy, Reactive Oxygen Species (ROS) generation by fluorometry, apoptosis and necrosis by flow cytometry and cell wall damage using Scanning and Transmission Electron Microscopy. Results and conclusions: The MIC of the peptides against C. albicans and other yeast and filamentous fungal pathogens ranged between 3.91 and 250 mu M. All three peptides exhibited effect on multiple targets in C. albi cans including disruption of cell wall structures, compromised cell membrane permeability leading to their enhanced entry into the cells, accumulation of ROS and induction of apoptosis. The peptides also showed synergistic effect when used in combination with fluconazole (FLC) and caspofungin (CAS) against C. albi cans. General significance: The study suggests that the AMPs alone or in combination with conventional antifungals hold promise for the control of fungal pathogens, and need to be further explored for treatment of fungal infections. (C) 2013 Elsevier By. All rights reserved.

}, keywords = {Antifungal peptide, Antimicrobial peptide (AMP), Apoptosis, Candida albicans, Reactive Oxygen Species (ROS)}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2013.07.016}, author = {Maurya, Indresh Kumar and Thota, Chaitanya Kumar and Sharma, Jyotsna and Tupe, Santosh Genba and Chaudhary, Preeti and Singh, Manoj Kumar and Thakur, Indu Shekhar and Deshpande, Mukund V. and Prasad, Rajendra and Chauhan, Virander Singh} } @article { ISI:000314748100011, title = {Necking in extrusion film casting: the role of macromolecular architecture}, journal = {Journal of Rheology}, volume = {57}, number = {2}, year = {2013}, month = {MAR}, pages = {559-583}, publisher = {JOURNAL RHEOLOGY AMER INST PHYSICS}, address = {STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA}, abstract = {

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

}, issn = {0148-6055}, doi = {10.1122/1.4788911}, author = {Pol, Harshawardhan V. and Thete, Sumeet Suresh and Doshi, Pankaj and Lele, Ashish K.} } @article { ISI:000326122200015, title = {One-pot fluorescent labeling protocol for complex hydroxylated bioactive natural products}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {20}, year = {2013}, month = {OCT}, pages = {10192-10202}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Tagging of small bioactive molecules with a fluorophore is a highly sensitive method to trace their cellular activities through real-time visual information. Here we disclose a 7-nitrobenzo-2-oxa-1,3-diazole (NBD)-based, high-yielding, one-pot labeling protocol for hydroxylated molecules using Yamaguchi coupling as the key reaction. This methodology was successfully applied on several sensitive and complex hydroxylated bioactive compounds including 7-deacetylazadiradione, simvastatin, camptothecin, andrographolide, cinchonine, beta-dihydroartemisinin, and azadirachtin A. Further, utility of this protocol was illustrated on the cytotoxic activity of azadiradione derivatives against several cancer cell lines through cell imaging of two qualified fluorescent probes.

}, issn = {0022-3263}, doi = {10.1021/jo401559t}, author = {Haldar, Saikat and Kumar, Santosh and Kolet, Swati P. and Patil, Harshal S. and Kumar, Dhiraj and Kundu, Gopal C. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000318292400036, title = {Photopolymerization of bis-aromatic and alicyclic based solid urethane acrylate macromonomer in the presence of large excess of reactive diluent Kinetics and modeling}, journal = {Journal of Thermal Analysis and Calorimetry}, volume = {112}, number = {2}, year = {2013}, month = {MAY}, pages = {805-813}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A solid urethane acrylate macromonomer with bis-aromatic as well as alicyclic moieties was synthesized and the kinetics of photopolymerization reactions were studied in the presence of varying concentration of photoinitiator and large excess of reactive diluent using photo DSC. The studies show that the rate of maximum polymerization was found to increase with increase in concentration of photoinitiator while a decrease was observed by an increase in temperature. The final conversion showed a decrease at highest isothermal condition due to vitrification. Estimation of kinetic parameters including applicability of autocatalytic and modified autocatalytic models were investigated by nonlinear regression. It was observed that the modified models gave a better fit with the experimental data and kinetic parameters showed a decrease with increase in temperature and an increase with increase in concentration of photoinitiator.

}, keywords = {Autocatalytic model, kinetics, Levenberg-Marquardt method, Photopolymerization}, issn = {1388-6150}, doi = {10.1007/s10973-012-2619-5}, author = {Harikrishna, Reghunathan and Ponrathnam, S. and Rajan, C. R. and Tambe, S. S.} } @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:000325642800010, title = {Production, purification and characterization of cholesterol oxidase from a newly isolated streptomyces sp.}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {29}, number = {11}, year = {2013}, month = {NOV}, pages = {2077-2085}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Cholesterol oxidase production (COD) by a new isolate characterized as Streptomyces sp. was studied in different production media and fermentation conditions. Individual supplementation of 1 \% maltose, lactose, sucrose, peptone, soybean meal and yeast extract enhanced COD production by 80-110 \% in comparison to the basal production medium (2.4 U/ml). Supplementation of 0.05 \% cholesterol (inducer) enhanced COD production by 150 \%. COD was purified 14.3-fold and its molecular weight was found to be 62 kDa. V-max (21.93 mu M/min mg) and substrate affinity K-m (101.3 mu M) suggested high affinity of the COD for cholesterol. In presence of Ba2+ and Hg2+ the enzyme activity was inhibited while Cu2+ enhanced the activity nearly threefold. Relative activity of the enzyme was found maximum in triton X-100 whereas sodium dodecyl sulfate inactivated the enzyme. The enzyme activity was also inhibited by the thiol-reducing reagents like Dithiothreitol and beta-mercaptoethanol. The COD showed moderate stability towards all organic solvents except acetone, benzene and chloroform. The activity increased in presence of isopropanol and ethanol. The enzyme was most active at pH 7 and 37 A degrees C temperature. This organism is not reported to produce COD.

}, keywords = {Affinity chromatography, Cholesterol oxidase, HPLC, SDS PAGE, Streptomyces sp.}, issn = {0959-3993}, doi = {10.1007/s11274-013-1371-8}, author = {Niwas, Ram and Singh, Vineeta and Singh, Rajbir and Tripathi, Divya and Tripathi, C. K. M.} } @article { ISI: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 {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: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:000319610100003, title = {Synthesis and characterization of poly(ether ether ketone)s and poly(ether ether ketone ketone) s containing pendant biphenyl and naphthyl groups}, journal = {High Performance Polymers}, volume = {25}, number = {3}, year = {2013}, month = {MAY}, pages = {260-267}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

New poly(ether ether ketone)s (PEEKs) and poly(ether ether ketone ketone)s (PEEKKs) containing pendant biphenyl and naphthyl groups were synthesized by nucleophilic substitution reaction of each of the four bisphenols viz., 1-(4- biphenylyl)- 1,1- bis(4- hydroxyphenyl) ethane, 1-(4- biphenylyl)- 1,1- bis(3- methyl, 4- hydroxyphenyl) ethane, 4,4{\textquoteright}-[1-(2- naphthalenyl) ethylidene] bis-phenol and 4,4{\textquoteright}-[1-(2- naphthalenyl) ethylidene] bis-3-methylphenol with 4,4{\textquoteright}- difluorobenzophenone and 1,3- bis(4- fluorobenzoyl) benzene in a solvent mixture of N,N-dimethylacetamide and toluene in the presence of anhydrous potassium carbonate. Inherent viscosities and number-average molecular weights of polymers were in the range of 0.42-0.86 dl/g and 2.40-7.55 x 10(4), respectively. PEEKs and PEEKKs were amorphous in nature and were readily soluble in a wide range of organic solvents and could be cast into flexible and tough films from chloroform solution. Glass transition temperature of PEEKs and PEEKKs were in the range of 180 degrees C -200 degrees C. T-10 values of PEEKs and PEEKKs were in the range of 424 degrees C-512 degrees C in nitrogen atmosphere, indicating their good thermal stability.

}, keywords = {biphenyl, bisphenol, naphthyl, poly(ether ether ketone ketone)s, poly(ether ether ketone)s, Polycondensation, Thermal properties}, issn = {0954-0083}, doi = {10.1177/0954008312462731}, author = {Honkhambe, Pandurang N. and Dhamdhere, Neelam A. and Tawade, Bhausaheb V. and Salunkhe, Manikrao M. and Wadgaonkar, Prakash P.} } @article { ISI: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 {43040, title = {All-solid-state-supercapacitor and a process for the fabrication thereof}, number = {PCT/IN2014/000233}, year = {2014}, month = {OCT}, abstract = {

The present invention discloses. all-solid-state supercapacitor (ASSP) with enhanced electrode-electrolyte interface which gives highest very high specific capacitance, areal capacitance and shows very low internal resistance (ESR). The invention particularly discloses the fabrication of all-solid-state supercapacitor by intercalation of solid state polymer electrolyte inside the conducting porous substrate coated with a charge storage electrode material to achieve the desired effect.

}, author = {Kurungot, Sreekumar and Badiger, Manohar V. and Anothumakkool, Bihag and Torris, Arun} } @article { ISI:000340300300018, title = {Antifungal activity and mechanism of action of carvacrol and thymol against vineyard and wine spoilage yeasts}, journal = {Food Control}, volume = {46}, year = {2014}, month = {DEC}, pages = {115-120}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Antimicrobial activity of carvacrol and thymol against natural yeast flora of the grapes and yeasts known to cause wine spoilage was examined. Carvacrol and thymol exhibited comparable or better antifungal activity than potassium metabisulphite, commercially used wine preservative, against the natural yeast flora and spoilage yeasts. The antifungal activity for both the compounds was better at pH 3.5 than pH 6.5. Addition of carvacrol and thymol (64 mu g/mL) in red wine resulted in inhibition of growth of the spoilage yeasts. Carvacrol and thymol exerted their antimicrobial action through membrane damage, leakage of cytoplasmic content and ergosterol depletion. In conclusion, carvacrol and thymol holds promise as a potential natural preservative for the control of wine spoilage. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {antifungal, Carvacrol, Thymol, Wine spoilage}, issn = {0956-7135}, doi = {10.1016/j.foodcont.2014.05.007}, author = {Chavan, Pradnya S. and Tupe, Santosh G.} } @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 {43392, title = {Antimicrobial activity of ZnO nanoparticles against pathogenic bacteria and fungi}, journal = {JSM Nanotechnology and Nanomedicine}, volume = {2}, year = {2014}, month = {JAN}, pages = {1-7}, author = {Navale, G. R. and Thripuranthaka, M. and Late, Dattatray J. and Shinde, Sandip S.} } @article { ISI:000343905600003, title = {Arthrobacter enclensis sp. nov., isolated from sediment sample}, journal = {Archives of Microbiology}, volume = {196}, number = {11}, year = {2014}, month = {NOV}, pages = {775-782}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A novel bacterial strain designated as NIO-1008(T) was isolated from marine sediments sample in Chorao Island India. Cells of the strains were gram positive and non-motile, displayed a rod-coccus life cycle and formed cream to light grey colonies on nutrient agar. Strain NIO-1008(T) had the chemotaxonomic markers that were consistent for classification in the genus Arthrobacter, i.e. MK-9(H-2) (50.3 \%), as the major menaquinone, and the minor amount of MK-7 (H-2-27.5 \%), MK-8 (H-4-11.6 \%) and MK-8 (H-2-10.4 \%). anteiso-C-15:0, iso-C-15:0, iso-C-16:0 and C-15:0 were the predominant fatty acids. Galactose, glucose and rhamnose are the cell-wall sugars, and DNA G+C content was 61.3 mol\%. Phylogenetic analysis, based on 16S rRNA gene sequencing, showed that the strains were most similar to Arthrobacter equi IMMIB L-1606(T), Arthrobacter chlorophenolicus DSM 12829(T), Arthrobacter defluvii KCTC 19209(T) and Arthrobacter niigatensis CCTCC AB 206012(T) with 98.5, 98.4, 98.0 and 97.8 \%, respectively, and formed a separate lineage. Combined phenotypic data and DNA-DNA hybridization data supported the conclusion that strains NIO-1008(T) represent a novel species within the genus Arthrobacter, for which the name Arthrobacter enclensis sp. nov., is proposed. The type strain is NIO-1008(T) = (NCIM 5488(T) = DSM 25279(T)).

}, keywords = {Arthrobacter, Chorao Island, Marine sediment, Polyphasic}, issn = {0302-8933}, doi = {10.1007/s00203-014-1016-9}, author = {Dastager, Syed Gulam and Qin, Liu and Tang, Shan-Kun and Krishnamurthi, Srinivasan and Lee, Jae-Chan and Li, Wen-Jun} } @article { ISI:000343905600004, title = {Arthrobacter enclensis sp. nov., isolated from sediment sample (vol 196, pg 775, 2014)}, journal = {Archives of Microbiology}, volume = {196}, number = {11}, year = {2014}, month = {NOV}, pages = {783}, publisher = {SPRINGER}, type = {Correction}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {0302-8933}, doi = {10.1007/s00203-014-1041-8}, author = {Dastager, Syed Gulam and Liu, Qing and Tang, Shan-Kun and Krishnamurthi, Srinivasan and Lee, Jae-Chan and Li, Wen-Jun} } @article { ISI:000346322200010, title = {Artificial intelligence-based modeling of high ash coal gasification in a pilot plant scale fluidized bed gasifier}, journal = {Industrial \& Engineering Chemistry Research }, volume = {53}, number = {49}, year = {2014}, month = {DEC}, pages = {18678-18689}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The quality of coalespecially its high ash contentsignificantly affects the performance of coal-based processes. Coal gasification is a cleaner and an efficient alternative to the coal combustion for producing the syngas. The high-ash coals are found in a number of countries, and they form an important source for the gasification. Accordingly, in this study, extensive gasification experiments were conducted in a pilot-plant scale fluidized-bed coal gasifier (FBCG) using high-ash coals from India. Specifically, the effects of eight coal and gasifier process related parameters on the four gasification performance variables, namely CO+H-2 generation rate, syngas production rate, carbon conversion, and heating value of the syngas, were rigorously studied. The data collected from these experiments were used in the FBCG modeling, which was conducted by utilizing two artificial intelligence (AI) strategies namely genetic programming (GP) and artificial neural networks (ANNs). The novelty of the GP formalism is that it searches and optimizes both the form and parameters of an appropriate linear/nonlinear function that best fits the given process data. The original eight-dimensional input space of the FBCG models was reduced to three-dimensional space using the principal component analysis (PCA) and the PCA-transformed three variables were used in the AI-based FBCG modeling. A comparison of the GP and ANN-based models reveals that their output prediction accuracies and the generalization performance vary from good to excellent as indicated by the high training and test set correlation coefficient magnitudes lying between 0.92 and 0.996. This study also presents results of the sensitivity analysis performed to identify those coal and process related parameters, which significantly affect the FBCG process performance.

}, issn = {0888-5885}, doi = {10.1021/ie500593j}, author = {Patil-Shinde, Veena and Kukarni, Tejas and Kulkarni, Rahul and Chavan, Prakash D. and Sharma, Tripurari and Sharma, Bijay Kumar and Tambe, Sanjeey S. and Kulkarni, B. D.} } @article { ISI:000329293600019, title = {Bacillus enclensis sp nov., isolated from sediment sample}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {105}, number = {1}, year = {2014}, month = {JAN}, pages = {199-206}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A novel bacterial strain, designated SGD-1123(T) was isolated from Chorao Island, in Goa Province, India. The strain was found to be able to grow at 15-42 A degrees C, pH 5-12 and 0-12 \% (w/v) NaCl. The whole cell hydrolysates were found to contain meso-diaminopimelic acid, galactose and arabinose. The major fatty acids were identified as iso-C-15:0 and anteiso-C-15:0, MK-7 was identified as the predominant menaquinone and the predominant polar lipids were identified as diphosphatidylglycerol, phosphatidylglycerol, phosphatidylethanolamine and an unidentified aminolipid. The genomic DNA G+C content was determined to be 44.6 mol\%. Phylogenetic analysis based on 16S rRNA gene sequences placed the isolate within the genus Bacillus and further revealed that strain SGD-1123(T) had highest sequence similarity with Bacillus aquimaris, and forms a separate clade with its closest relatives i.e. B. aquimaris, Bacillus vietnamensis and Bacillus marisflavi, with which it shares 94.5, 94.1 and 94.1 \% similarity respectively. The phylogenetic, chemotaxonomic and phenotypic analyses indicated that strain SGD-1123(T) represents a novel species within the genus Bacillus, for which the name Bacillus enclensis is proposed. The type strain is SGD-1123(T) (NCIM 5450(T)=CCTCC AB 2011125(T)).

}, keywords = {Bacillus sp, Marine sediment, Polyphasic}, issn = {0003-6072}, doi = {10.1007/s10482-013-0066-3}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Tang, Shan-Kun and Srinivasan, Krishnamurthi and Ramana, V. Venkata and Shouche, Yogesh S.} } @article {45941, title = {Back-to-back MOS{\textendash}Schottky (Pt{\textendash}SiO2{\textendash}Si{\textendash}C{\textendash}Pt) nano-heterojunction device as an efficient self-powered photodetector: one step fabrication by pulsed laser deposition }, journal = {Nanoscale}, volume = {6}, year = {2014}, month = {JAN}, pages = {3550-3556}, type = {Article}, abstract = {An efficient self-powered photodetector design involving a C{\textendash}Si hetero-interface with back-to-back MOS{\textendash}Schottky (Pt{\textendash}SiO2{\textendash}Si{\textendash}C{\textendash}Pt) device action is presented. Pulsed laser deposition of a carbon thin film is used which dynamically removes the native surface oxide to form the desired Schottky interface. The combined device action yields two orders of magnitude photoresponse at zero bias.}, issn = {2040-3372}, doi = { http://dx.doi.org/10.1039/C3NR06525A}, author = {Shaikh, P. A. and Thakare, V. P. and Late, D. J. and Ogale, S.} } @article { ISI: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:000330790100004, title = {Biocatalyst mediated regio- and stereo-selective hydroxylation and epoxidation of (Z)-alpha-santalol}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {7}, year = {2014}, month = {JAN}, pages = {1048-1051}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Biocatalyst mediated regio- and stereo-selective hydroxylation and epoxidation on (Z)-alpha-santalol were achieved for the first time, using a fungal strain Mucor piriformis. Four novel metabolites were characterized as 10,11-cis-beta-epoxy-alpha-santalol, 5 alpha-hydroxy-(Z)-alpha-santalol, 10,11-dihydroxy-alpha-santalol and 5 alpha-hydroxy-10,11-cis-beta-epoxy-alpha-santalol. Using Amano PS lipase from Burkholderia cepacia, alpha- and beta-isomers of 10,11-cis-epoxy-alpha-santalol were resolved efficiently.

}, issn = {1477-0520}, doi = {10.1039/c3ob42174k}, author = {Daramwar, Pankaj P. and Srivastava, Prabhakar Lal and Kolet, Swati P. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000337885300011, title = {Biodegradable iron chelate for H2S abatement: modeling and optimization using artificial intelligence strategies}, journal = {Chemical Engineering Research \& Design}, volume = {92}, number = {6}, year = {2014}, month = {JUN}, pages = {1119-1132}, publisher = {INST CHEMICAL ENGINEERS}, type = {Article}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

A batch reactor process for the abatement of a common pollutant, namely, H2S using Fe3+-malic acid chelate (Fe3+-MA) catalyst has been developed. Further, process modeling and optimization was conducted in the three stages with a view to maximize the H2S conversion: (i) sensitivity analysis of process inputs was performed to select the most influential process operating variables and parameters, (ii) an artificial neural network (ANN)-based data-driven process model was developed using the influential process variables and parameters as model inputs, and H2S conversion (\%) as the model output, and (iii) the input space of the ANN model was optimized using the artificial immune systems (AIS) formalism. The AIS is a recently proposed stochastic nonlinear search and optimization method based on the human biological immune system and has been introduced in this study for chemical process optimization. The AIS-based optimum process conditions have been compared with those obtained using the genetic algorithms (GA) formalism. The AIS-optimized process conditions leading to high (approximate to 97\%) H2S conversion, were tested experimentally and the results obtained thereby show an excellent match with the AIS-maximized H2S conversion. It was also observed that the AIS required lesser number of generations and function evaluations to reach the convergence when compared with the GA. (C) 2013 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

}, keywords = {Artificial immune systems, Artificial neural networks, Batch reactor, Genetic algorithms, Sensitivity analysis}, issn = {0263-8762}, doi = {10.1016/j.cherd.2013.10.017}, author = {Hamid, Aashti and Deshpande, Aniruddha S. and Badhe, Yogesh P. and Barve, Prashant P. and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @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.} } @conference {46371, title = {Characteristics of HRV patterns for different yoga postures}, booktitle = {2014 Annual IEEE India Conference (INDICON)}, year = {2014}, month = {DEC}, publisher = {YASHADA, MDC, IEEE Pune Sect; IEEE}, organization = {YASHADA, MDC, IEEE Pune Sect; IEEE}, address = {345 E 47TH ST, NEW YORK, NY 10017 USA}, abstract = {

Human heart rate fluctuates in a complex and non-stationary manner, due to continuous influences from autonomic nervous system and other factors (harmones, temp, etc) on the sinoatrial node (S.A) (Pacemaker of the heart). ANS dysfunction is known to be associated with various cardiovascular and lifestyle diseases. The importance of traditional ancient Indian practice like Yoga has increased significantly due to the observed beneficial effects of it in various lifestyle diseases. Preliminary studies have shown that yoga may have its beneficial effect by influencing autonomic nervous system. Heart rate variability (HRV) is a most promising predictive and prognostic marker of autonomic (ANS) activity. HRV is analyzed by time and frequency domain parameters (Fast Fourier Transform). Being linear parameters these are not able to extract full information regarding the non linear behavior of heart rate fluctuations. In this paper, we propose to analyze HRV by using linear as well as non-linear methods during different yogaasanas. These mathematical models will be useful to understand the underlying physiological mechanisms during different yogasanas.

}, keywords = {ECG, HRV, Poincare plot, Recurrence plot, Yogasanas}, isbn = {978-1-4799-5364-6}, author = {Pitale, Rahul and Tajane, Kapil and Phadke, Leena and Joshi, Aniruddha and Umale, Jayant} } @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:000345234900039, title = {Covalent organic framework-cadmium sulfide hybrid as a prototype photocatalyst for visible-light-driven hydrogen production}, journal = {Chemistry A-European Journal}, volume = {20}, number = {48}, year = {2014}, month = {NOV}, pages = {15961-15965}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

CdS nanoparticles were deposited on a highly stable, two-dimensional (2D) covalent organic framework (COF) matrix and the hybrid was tested for photocatalytic hydrogen production. The efficiency of CdS-COF hybrid was investigated by varying the COF content. On the introduction of just 1 wt\% of COF, a dramatic tenfold increase in the overall photocatalytic activity of the hybrid was observed. Among the various hybrids synthesized, that with 10 wt\% COF, named CdS-COF (90: 10), was found to exhibit a steep H2 production amounting to 3678 mmolh(-1) g(-1), which is significantly higher than that of bulk CdS particles (124 mmolh(-1)g(-1)). The presence of a p-conjugated backbone, high surface area, and occurrence of abundant 2D hetero-interface highlight the usage of COF as an effective support for stabilizing the generated photoelectrons, thereby resulting in an efficient and high photocatalytic activity.

}, keywords = {charge transfer, covalent organic frameworks, hybrid materials, hydrogen production, Photocatalysis}, issn = {0947-6539}, doi = {10.1002/chem.201403800}, author = {Thote, Jayshri and Aiyappa, Harshitha Barike and Deshpande, Aparna and Diaz, David Diaz and Kurungot, Sreekumar and Banerjee, Rahul} } @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 {46400, title = {Design and synthesis of 3D porous diamondoid frameworks by cocrystallization}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C470}, type = {Meeting Abstract}, keywords = {cocrystals, crystal engineering, Porous Organic Cages}, issn = {2053-2733}, author = {Tothadi, Srinu and Little, Marc A. and Hasell, Tom and Briggs, Michel E. and Chong, Samantha Y. and Cooper, Andrew I.} } @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:000342087400004, title = {Discontinuous two step flow synthesis of m-aminoacetophenone}, journal = {Green Processing and Synthesis}, volume = {3}, number = {4}, year = {2014}, month = {AUG}, pages = {279-285}, publisher = {WALTER DE GRUYTER GMBH}, type = {Article}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {

The continuous flow nitration of acetophenone followed by reduction of the meta isomer has been demonstrated using simple tubular reactors. Because of ease of separation of the desired isomer from the first step, both steps are made continuous, but separately. The continuous flow nitration was carried out in a safe manner in a shorter reaction time than the conventional approach. The choice of micromixer was seen to affect the performance of the nitration reaction. The effect of different parameters on the yield of the desired product was studied. The reduction step with sodium sulfide was found to be economical and could be carried out efficiently at 70 degrees C using sodium sulfide in ethanol, using a silicone tube. Both steps were demonstrated for several hours, yielding a sufficiently large quantity (similar to 100 g) of m-aminoacetophenone at lab scale in a single day using simple tubular reactors.

}, keywords = {acetophenone, continuous flow synthesis, microreactor, nitration, reduction}, issn = {2191-9542}, doi = {10.1515/gps-2014-0043}, author = {Tibhe, Jagdish and Sharma, Yachita and Joshi, Ramesh A. and Joshi, Rohini R. and Kulkarni, Amol A.} } @article { ISI: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:000341360400024, title = {Divergent total synthesis of 1,6,8a-tri-epi-castanospermine and 1-deoxy-6,8a-di-epi-castanospermine from substituted azetidin-2-one (beta-lactam), involving a cascade sequence of reactions as a key step}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {37}, year = {2014}, month = {JUL}, pages = {7389-7396}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A divergent, short, and novel total synthesis of 1,6,8a-tri-epi-castanospermine (7) and 1-deoxy-6,8a-di-epi-castanospermine (8) has been developed via a common precursor, 15, obtained from D-mannitol derived beta-lactam. The key step involves a one pot cascade sequence of trimethyl sulfoxonium ylide based cyclization of epoxy sulfonamide 14 via epoxide ring opening, one carbon homologation followed by intramolecular cyclization.

}, issn = {1477-0520}, doi = {10.1039/c4ob00948g}, author = {Tiwari, Dipak Kumar and Bharadwaj, Kishor Chandra and Puranik, Vedavati G. and Tiwari, Dharmendra Kumar} } @article { ISI:000348622000027, title = {Domibacillus enclensis sp nov., isolated from marine sediment, and emended description of the genus domibacillus}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {64}, number = {12}, year = {2014}, month = {DEC}, pages = {4098-4102}, publisher = {SOC GENERAL MICROBIOLOGY}, type = {Article}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A novel red-pigmented bacterial strain, designated NIO-1016(T), was isolated from a sediment sample from Chorao Island, India and was investigated by a polyphasic taxonomic approach. The strain was Gram-reaction-positive, strictly aerobic, motile and catalase-positive and produced spherical to slightly ellipsoidal endospores with subterminal position on swollen sporangia. The genomic DNA G+C content was 46.9 molok. The major fatty acids were anteiso-C-15:0, anteiso-C-17:0, iSO-C-15:0 and C-16:0. The predominant quinones were MK-6 (89.3 \%) and MK-7 (8.7 \%). The polar lipids consisted of diphosphatidylglycerol, phosphatidylglycerol, and an unidentified phospholipid. meso-Diaminopimelic acid (type My) was present in the cell-wall peptidoglycan and the major whole-cell sugars were glucose and ribose. The closest phylogenetic neighbours were identified as Domibacillus robiginosus DSM 25058(T) (98.0\% similarity) and Domibacillus indicus DSM 28032(T) (97.2\% similarity), other species of the genus Bacillus displayed below 96\% similarity. Phylogenetic, physiological, biochemical and morphological differences between strain NI0-1016(T) and its closest neighbours indicate that this strain represents a novel species in the genus Domibacillus in the family Bacillaceae for which the name Domibacillus enclensis sp. nov. is proposed with the type species N10-1016(T) (=DSM 25145(T)=NCIM 5462(T)=CCTCC AB 2011121(T)).

}, issn = {1466-5026}, doi = {10.1099/s.0.068924-0}, author = {Sonalkar, Vidya V. and Mawlankar, Rahul R. and Krishnamurthi, Srinivasan and Tang, Shan-Kun and Dastager, Syed Gulam} } @article { ISI:000340696200021, title = {Efforts towards the synthesis of microsporin B: ready access to both the enantiomers of the key amino acid fragment}, journal = {Tetrahedron Letters}, volume = {55}, number = {34}, year = {2014}, month = {AUG}, pages = {4777-4779}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Both the isomers methyl-(2S,8R)-2-((tert-butoxycarbonyl)amino)-8-hydroxydecanoate and methyl-(2S,8S)-2-((tert-butoxycarbonyl)amino)-8-hydroxydecanoate of an unusual amino acid residue and the key fragment of microsporin B are prepared. The key steps include cross metathesis and enzymatic kinetic resolution. In addition, a linear tetrapeptide with desired components towards total synthesis is also reported. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Cross metathesis, Enzymatic resolution, HDAC inhibitor, Microsporin, Tetrapeptide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.06.093}, author = {Swaroop, Pandrangi Siva and Tripathy, Sibanarayan and Jachak, Gorakhnath R. and Reddy, D. Srinivasa} } @article { ISI:000336883000054, title = {Electrodeposited polyethylenedioxythiophene with infiltrated gel electrolyte interface: a close contest of an all-solid-state supercapacitor with its liquid-state counterpart}, journal = {Nanoscale}, volume = {6}, number = {11}, year = {2014}, month = {JUN}, pages = {5944-5952}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report the design of an all-solid-state supercapacitor, which has charge storage characteristics closely matching that of its liquid-state counterpart even under extreme temperature and humidity conditions. The prototype is made by electro-depositing polyethylenedioxythiophene (PEDOT) onto the individual carbon fibers of a porous carbon substrate followed by intercalating the matrix with polyvinyl alcohol-sulphuric acid (PVA-H2SO4) gel electrolyte. The electrodeposited layer of PEDOT maintained a flower-like growth pattern along the threads of each carbon fiber. This morphology and the alignment of PEDOT led to an enhanced surface area and electrical conductivity, and the pores in the system enabled effective intercalation of the polymer-gel electrolyte. Thus, the established electrode-electrolyte interface nearly mimics that of its counterpart based on the liquid electrolyte. Consequently, the solid device attained very low internal resistance (1.1 Omega cm(-2)) and a high specific capacitance (181 F g(-1)) for PEDOT at a discharge current density of 0.5 A g(-1). Even with a high areal capacitance of 836 mF cm(-2) and volumetric capacitance of 28 F cm(-3), the solid device retained a mass-specific capacitance of 111 F g(-1) for PEDOT. This is in close agreement with the value displayed by the corresponding liquid-state system (112 F g(-1)), which was fabricated by replacing the gel electrolyte with 0.5 M H2SO4. The device also showed excellent charge-discharge stability for 12 000 cycles at 5 A g(-1). The performance of the device was consistent even under wide-ranging humidity (30-80\%) and temperature (-10 to 80 degrees C) conditions. Finally, a device fabricated by increasing the electrode area four times was used to light an LED, which validated the scalability of the process.

}, issn = {2040-3364}, doi = {10.1039/c4nr00659c}, author = {Anothumakkool, Bihag and Torris, Arun A. T. and Bhange, Siddheshwar N. and Badiger, Manohar V. and Kurungot, Sreekumar} } @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:000331828400019, title = {Enhanced mineralization of gaseous organic pollutant by photo-oxidation using Au-Doped TiO2/MCM-41}, journal = {Water Air and Soil Pollution}, volume = {225}, number = {2}, year = {2014}, month = {FEB}, pages = {1847}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The synthesis, characterization, and photocatalytic evaluation of titania-loaded MCM-41 with and without Au doping are reported in the present study. The samples were characterized by powder XRD, TEM, low temperature N-2 adsorption/desorption, UV-Vis, and FTIR. UV-induced vapor-phase photo-oxidation of acetone was used as a probe reaction to study the role of Au in mineralization of volatile organic compounds (VOCs), viz. acetone at different concentrations. The doping of Au in titania-loaded MCM-41 resulted in the decrease of BET surface area, total pore volume, and average pore size. UV-Vis diffuse reflectance spectra of Au-doped titania-loaded MCM-41 showed the red shift in their absorption bands compared to titania-loaded MCM-41. The activity of mineralization of acetone by photocatalysis for 2 \% Au-doped titania-loaded MCM-41 was found to be similar to 1.6 times higher than titania-loaded MCM-41. The presence of cocatalytic nanosized gold might be responsible for their enhanced activity on account of the delayed recombination of electron/hole pair. Although, almost complete mineralization of acetone was observed irrespective of the initial concentration of acetone in air (up to 3.72 mol\%) by all the catalysts, 2 wt.\% Au-doped titania-loaded MCM-41 has shown the most enhanced activity.

}, keywords = {Acetone, Doping, Gold, Mineralization of VOCs, Photo-oxidation, TiO2/MCM-41}, issn = {0049-6979}, doi = {10.1007/s11270-013-1847-z}, author = {Tangale, Nilesh P. and Belhekar, Anuja A. and Kale, Kishor B. and Awate, Shobhana V.} } @conference { ISI:000352795700066, title = {Enhancement in the field emission behavior of graphene in N-2/O-2 high vacuum ambience}, booktitle = {2014 27th International Vacuum Nanoelectronics Conference (IVNC) }, series = {International Vacuum Nanoelectronics Conference}, year = {2014}, note = {27th International Vacuum Nanoelectronics Conference (IVNC), Engelberg, SWITZERLAND, JUL 06-10, 2014}, month = {JUL}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, organization = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {Engelberg, Switzerland}, abstract = {

Herein we report, pressure dependent field emission (FE) behaviour of a few-layer graphene emitter. Gas dependent FE properties have been investigated in ultra high vacuum (UHV), as well as in N-2 and O-2 ambience at base pressure similar to 1x10(-6) torr. Interestingly, the graphene emitter when operated in N-2/O-2 ambience exhibits lower turn-on field and higher emission current density, as compared to the UHV conditions. The emission current stability investigated at preset value of similar to 1 mu A over the period of more than 2 hrs is found better in the N2 ambience and is characterized by fewer fluctuations, in contrast to the behaviour in the O-2 ambience. The observed enhanced electron emission behavior in N-2/O-2 ambience is attributed to modulation of the work function of graphene emitter.

}, keywords = {graphene, Pressure Dependent Field Emission}, isbn = {978-1-4799-5306-6}, issn = {2164-2370}, doi = {10.1109/IVNC.2014.6894791}, author = {Suryawanshi, S. R. and Kolhe, Pankaj S. and Gavhane, D. S. and Patil, S. S. and Chavan, P. G. and More, Mahendra A. and Late, Dattatray J.}, editor = {Tsujino, S. and Gobrecht, J. and Paraliev, M. and Braun, H. H. and Groening, O. and Feurer, T.} } @article { ISI:000343630500001, title = {Expedient preparative isolation and tandem mass spectrometric characterization of C-seco triterpenoids from neem oil}, journal = {Journal of Chromatography A}, volume = {1366}, year = {2014}, month = {OCT}, pages = {1-14}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

C-seco triterpenoids are widely bioactive class of natural products with high structural complexity and diversity. The preparative isolation of these molecules with high purity is greatly desirable, although restricted due to the complexity of natural extracts. In this article we have demonstrated a Medium Pressure Liquid Chromatography (MPLC) based protocol for the isolation of eight major C-seco triterpenoids of salannin skeleton from Neem (Azadirachta indica) oil. Successive application of normal phase pre-packed silica-gel columns for the fractionation followed by reverse phase in automated MPLC system expedited the process and furnished highly pure metabolites. Furthermore, eight isolated triterpenoids along with five semi-synthesized derivatives were characterized using ultra performance liquid chromatography-electrospray ionization-quadrupole/orbitrap-MS/MS spectrometry as a rapid and sensitive identification technique. The structure-fragment relationships were established on the basis of plausible mechanistic pathway for the generation of daughter ions. The MS/MS spectral information of the triterpenoids was further utilized for the identification of studied molecules in the complex extract of stem and bark tissues from Neem. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {ESI(+)-quadrupole/orbitrap-MS/MS, MPLC, Neem oil, Preparative isolation, Salannin, Triterpenoids}, issn = {0021-9673}, doi = {10.1016/j.chroma.2014.09.006}, author = {Haldar, Saikat and Mulani, Fayaj A. and Aarthy, Thiagarayaselvam and Dandekar, Devdutta S. and Thulasiram, Hirekodathakallu V.} } @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:000330953700003, title = {Fictibacillus enclensis sp nov., isolated from marine sediment}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {105}, number = {3}, year = {2014}, month = {MAR}, pages = {461-469}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A novel Gram-positive strain, designated NIO-1003(T), was isolated from a marine sediment sample collected from the Chorao Island, Goa Provence, India. Strain NIO-1003(T) was found to be strictly aerobic, motile, endospore-forming rods. Phylogenetic analysis based on 16S rRNA gene sequences indicated that strain NIO-1003(T) belongs to the genus Fictibacillus and to be most closely related to Fictibacillus rigui KCTC 13278(T), Fictibacillus solisalsi KCTC 13181(T) and Fictibacillus barbaricus DSM 14730(T) with 98.2, 98.0 and 97.2 \% similarity and 25, 28, 39 nucleotide differences respectively. Strain NIO-1003(T) was characterized by having cell-wall peptidoglycan based on meso-diaminopimelic acid and MK-7 as the predominant menaquinone. The polar lipid profile exhibited the major compounds diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine. In addition, minor amounts of an aminophospholipid were detected. The major fatty acids were identified as ai-C-15:0, iso-C-15:0, ai-C-17:0 and C-16:0, supporting the grouping of strain NIO-1003(T) into the family Bacillaceae. The DNA G+C content of strain NIO-1003(T) was determined to be 42.6 mol\%. On the basis of phenotypic properties, phylogeny and DNA-DNA hybridisation analysis, strain NIO-1003(T) is considered to represent a novel species of the genus Fictibacillus for which the name Fictibacillus enclensis sp. nov. is proposed. The type strain is NIO-1003(T) (= NCIM 5458(T) = DSM 25142(T)).

}, keywords = {Chorao Island, Fictibacillus sp., Polyphasic taxonomy}, issn = {0003-6072}, doi = {10.1007/s10482-013-0097-9}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Srinivasan, Krishnamurthi and Tang, Shan-Kun and Lee, Jae-Chan and Ramana, V. Venkata and Shouche, Yogesh S.} } @article { ISI:000346266000074, title = {Field emission properties of ZnO nanosheet arrays}, journal = {Applied Physics Letters}, volume = {105}, number = {23}, year = {2014}, month = {DEC}, pages = {233101}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

{Electron emission properties of electrodeposited ZnO nanosheet arrays grown on Indium tin oxide coated glass substrates have been studied. Influence of oxygen vacancies on electronic structures and field emission properties of ZnO nanosheets are investigated using density functional theory. The oxygen vacancies produce unshared d electrons which form an impurity energy state; this causes shifting of Fermi level towards the vacuum, and so the barrier energy for electron extraction reduces. The ZnO nanosheet arrays exhibit a low turn-on field of 2.4 V/mu m at 0.1 mu A/cm(2) and current density of 50.1 mu A/cm(2) at an applied field of 6.4 V/mu m with field enhancement factor

}, issn = {0003-6951}, doi = {10.1063/1.4903271}, author = {Naik, Kusha Kumar and Khare, Ruchita T. and Chakravarty, Disha and More, Mahendra A. and Thapa, Ranjit and Late, Dattatray J. and Rout, Chandra Sekhar} } @article { ISI:000333581400004, title = {Functionalization of cardanol: towards biobased polymers and additives}, journal = {Polymer Chemistry}, volume = {5}, number = {9}, year = {2014}, month = {OCT}, pages = {3142-3162}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Among the renewable resource materials, cashew nut shell liquid (CNSL) is considered as an important starting material due to its unique structural features, abundant availability and low cost. A large number of chemicals and products have been developed starting from CNSL by taking advantage of the three reactive sites, namely, phenolic hydroxyl, aromatic ring and unsaturation(s) in the alkenyl side chain. This comprehensive review deals with general information on CNSL, its purification and separation methods, reactivity and applications in polymer chemistry.

}, issn = {1759-9954}, doi = {10.1039/c3py01194a}, author = {Voirin, Coline and Caillol, Sylvain and Sadavarte, Nilakshi V. and Tawade, Bhausaheb V. and Boutevin, Bernard and Wadgaonkar, Prakash P.} } @article { ISI:000345734800010, title = {Functionally engineered egg albumen gel for quasi-solid dye sensitized solar cells}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {12}, year = {2014}, month = {DEC}, pages = {2707-2714}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this report, we demonstrated an interesting application of a bioderived material for the dye sensitized solar cells (DSSCs). Egg white, the clear liquid in a hen{\textquoteright}s egg, which possesses a remarkable gelling/cross-linking ability, was applied in the form of a gel electrolyte in a DSSC architecture to enhance its durability. A hybrid gel composed of poly(acrylic acid), polyaniline and egg albumen was synthesized, and the cell efficiency, stability and durability of the corresponding DSSC device were studied in detail. The dye sensitized solar cell with the egg albumen based electrolyte demonstrated a conversion energy efficiency of 4.6\%. Further, a chemically modified egg albumen with ethylenediaminetetraacetic dianhydride showed improved cross-linking, microstructural and conductivity properties of the gel, and yielded a remarkable 5.75\% conversion efficiency. Electrochemical impedance spectroscopy data showed favorable characteristics for charge transport through the modified gel and supported the efficiency observations very well.

}, keywords = {dye sensitized solar cells, Egg albumen, gel electrolyte}, issn = {2168-0485}, doi = {10.1021/sc5004488}, author = {Kelkar, Sarika A. and Pandey, Komal and Agarkar, Shruti A. and Saikhedkar, Nidhi and Tathavadekar, Mukta and Agrawal, Ishita and Gundloori, Rathna V. N. and Ogale, Satishchandra} } @article { ISI:000343624300009, title = {Fungi mediated production and practical purification of (R)-(-)-3-quinuclidinol}, journal = {Tetrahedron Letters}, volume = {55}, number = {43}, year = {2014}, month = {OCT}, pages = {5911-5914}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A fungal system belonging to Mucoraceae family (Mucor piriformis) was explored for the asymmetric reduction of a prochiral ketone, 3-quinuclidinone (I) in an efficient manner to produce an important pharmaceutical precursor (R)-(-)-3-quinuclidinol (II) with similar to 96\% enantiomeric excess. The efficiency of the process was improved by developing a cation exchange resin (Amberlite IR-120) which assisted the purification of water soluble metabolite II from fermentation media. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {(R)-(-)-3-Quinuclidinol, Amberlite IR-120, Biotransformation, Ion exchange resin, Mucor pinformis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.09.015}, author = {Kolet, Swati P. and Jadhav, Dipesh D. and Priyadarshini, Balaraman and Swarge, Bhagyashree N. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000339493400008, title = {General approach to N-heterocyclic carbenes with a fused tetracyclic core: ligands for suzuki-miyaura cross-coupling reaction}, journal = {European Journal of Organic Chemistry}, number = {21}, year = {2014}, month = {JUL}, pages = {4482-4486}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The synthesis of an N-heterocyclic carbene (NHC) based on a tetracyclic scaffold by using simple, general, and scalable chemistry is disclosed. The developed route is suitable for introducing multiple substitutions on the tetracyclic scaffold. The utility of the present NHC as a ligand in the Suzuki-Miyaura cross-coupling reaction is demonstrated with a low catalyst loading.

}, keywords = {C-C coupling, carbenes, Homogeneous catalysis, N ligands, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.201402378}, author = {Sutar, Revannath L. and Kumar, Vinod and Shingare, Rahul D. and Thorat, Shridhar and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000338042500011, title = {Green synthesis of polysaccharide stabilized gold nanoparticles: chemo catalytic and room temperature operable vapor sensing application}, journal = {RSC Advances}, volume = {4}, number = {46}, year = {2014}, month = {MAY}, pages = {24014-24019}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A facile, one pot, completely green, and cheap route for the synthesis of gold nanoparticles (AuNPs) has been developed by using locust bean gum (LBG), both as a reducing and a stabilizing agent. Synthesized AuNPs were characterized by UV-vis spectroscopy, TEM, XRD, dynamic light scattering analysis (DLS) and EDAX. A characteristic surface plasmon peak at 537 nm confirmed the formation of AuNPs. Synthesized AuNPs were found to be an efficient catalyst for the reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP). The reaction follows pseudo-first order kinetics with a rate constant of 14.46 X 10(-2) min(-1). Furthermore, the catalytic efficiency of AuNPs for ethanol vapor sensing was investigated by doping AuNPs in a tin oxide (SnO2) matrix synthesized by a single step thermal decomposition method. The AuNPs doped SnO2 sensor showed a fast response (similar to 5 seconds) and excellent ethanol sensing behavior in the range of 10 to 120 ppm at room temperature. A two fold increase in ethanol vapor sensing response was observed with AuNPs doped SnO2 as compared with the pure SnO2 sensor.

}, issn = {2046-2069}, doi = {10.1039/c4ra02972k}, author = {Tagad, Chandrakant K. and Rajdeo, Kishor S. and Kulkarni, Atul and More, Pooja and Aiyer, Rohini C. and Sabharwal, Sushma G.} } @article { ISI: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:000341455400031, title = {Humidity-sensing studies of cerium oxide nanoparticles synthesizedby non-isothermal precipitation}, journal = {Sensors and Actuators B-Chemical}, volume = {203}, year = {2014}, month = {NOV}, pages = {229-238}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

We report the fabrication of a highly sensitive and fast humidity sensor based on cerium oxide (CeO2) nanoparticles, which were prepared at low cost via a simple non-isothermal precipitation method. The asprepared CeO2 nanoparticles were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy( TEM) and the results indicated the formation of face centered cubic phase of CeO2 with average crystallite size of approximately 10-12 nm. Humidity sensors based on CeO2 nanoparticles exhibit high and linear response within the whole relative humidity (RH) range of 11-97\% at an operating frequency of 60 Hz. The corresponding impedance changes by approximately three orders of magnitude within the entire humidity range from 11\% to 97\% RH. The response and recovery times are about 2-3 and 9-10 s, respectively, when RH was switched between 11\% and 97\%. Furthermore, the sensors also show relatively small hysteresis, excellent reproducibility, long term stability and broad range of operation (11-97\% RH). The complex impedance spectra of the sensor at different RHs and the equivalent circuit were analyzed to explore the humidity-sensing mechanism. This study demonstrates that the CeO2 nanoparticles prepared by non-precipitation method can be used as the humidity-sensing material for the fabrication of humidity sensors. (C) 2014 Elsevier B. V. All rights reserved.

}, keywords = {CeO2 nanoparticles, Complex impedance spectra, humidity sensor, Non-isothermal precipitation, TEM}, issn = {0925-4005}, doi = {10.1016/j.snb.2014.06.107}, author = {Khadse, V. R. and Thakur, Sharada and Patil, K. R. and Patil, Pradip} } @article { ISI:000330489500020, title = {In situ synthesized BSA capped gold nanoparticles: effective carrier of anticancer drug methotrexate to MCF-7 breast cancer cells}, journal = {Materials Science \& Engineering C-Materials For Biological Applications}, volume = {34}, year = {2014}, month = {JAN}, pages = {158-167}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The proficiency of MTX loaded BSA capped gold nanoparticles (Au-BSA-MTX) in inhibiting the proliferation of breast cancer cells MCF-7 as compared to the free drug Methotrexate (MTX) is demonstrated based on MTT and Ki-67 proliferation assays. In addition, DNA ladder gel electrophoresis studies, flow cytometry and TUNEL assay confirmed the induction of apoptosis by MTX and Au-BSA-MTX in MCF-7 cells. Notably, Au-BSA-MTX: was found to have higher cytotoxicity on MCF-7 cells compared with an equivalent dose of free MTX. The enhanced activity is attributed to the preferential uptake of Au-BSA-MTX particles by MCF-7 cells due to the presence of BSA that acts as a source of nutrient and energy to the rapidly proliferating MCF-7 cells. Moreover, the targeting ability of the drug MTX to the over expressed folate receptors on MCF-7 cells also contributes to the enhanced uptake and activity. Taken together, these results unveil that Au-BSA-MTX could be more effective than free drug for cancer treatment. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Apoptosis, Bovine serum albumin, Cancer therapy, Cytotoxicity, Dual active agents, gold nanoparticles}, issn = {0928-4931}, doi = {10.1016/j.msec.2013.09.004}, author = {Murawala, Priyanka and Tirmale, Amruta and Shiras, Anjali and Bhagavatula L. V. Prasad} } @article { ISI: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:000337930900028, title = {Kocuria indica sp nov., isolated from a sediment sample}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {64}, number = {3}, year = {2014}, month = {MAR}, pages = {869-874}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

An actinobacterial strain was isolated from a sediment sample from Chorao Island, in Goa province, India, and subjected to a taxonomic investigation. The isolate, designated NIO-1021(T), was a Gram-stain positive, aerobic, non-motile and coccoid. Strain NIO-1021(T) was identified as a member of the genus Kocuria by a polyphasic approach. Strain NIO-1021(T) could be differentiated from other members of the genus Kocuria on the basis of physiology and 16S rRNA gene sequence analysis. The 16S rRNA gene sequence similarity of strain NIO-1021(T) to the most closely related species, Kocuria marina KCTC 9943(T), was 98.6\% with 19 nt differences). Furthermore, DNA-DNA hybridization analysis revealed that the novel strain had lower relatedness with the type strains of other members of the genus Kocuria. The strain formed a monophyletic clade with K. marina with 100\% bootstrap values. The major phospholipids were phosphatidylglycerol, diphosphatidylglycerol and two unidentified lipids. The predominant menaquinone was MK-7(H-2). The major fatty acids were anteiso-C-15:0, iso-C-(16:0) and anteiso-C-17:0. The DNA G+C content of strain NIO-1021(T) was 60.5 mol\%. Chemotaxonomic and phylogenetic properties of the strain were consistent with its classification as representing a member of the genus Kocuria. On the basis of phenotypic, chemotypic and molecular characteristics, strain NIO-1021(T) is considered to represent a novel species of the genus Kocuria, for which the name Kocuria indica sp. nov. is proposed, with strain NIO-1021(T) (=NCIM 5455(T)=DSM 25126(T)=CCTCC AA 209050(T)) as the type strain.

}, issn = {1466-5026}, doi = {10.1099/ijs.0.052548-0}, author = {Dastager, Syed Gulam and Tang, Shan-Kun and Srinivasan, Krishnamurthi and Lee, Jae-Chan and Li, Wen-Jun} } @article { ISI:000336115000029, title = {Lipase mediated separation of triterpene structural isomers, alpha- and beta-amyrin}, journal = {Tetrahedron Letters}, volume = {55}, number = {19}, year = {2014}, month = {MAY}, pages = {3122-3125}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Pentacyclic triterpenoids alpha- and beta-amyrin possess a wide range of biological and pharmacological activities. High structural similarity between these two structural isomers makes their chromatographic separation an ineffective and tedious choice. In this study, Candida rugosa lipase catalyzed separation protocol for the isolation of individual isomers has been developed. In the presence of vinyl acetate as the acyl donor, Candida rugosa lipase carried out acetylation of beta-amyrin more efficiently as compared to alpha-amyrin leading to a kinetic separation. The conditions of transesterification reaction were optimized systematically, which was utilized to separate alpha- and beta-amyrin from a mixture obtained from the latex of Plumeria obtusa. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Amyrin, Candida rugosa, Kinetic separation, Lipase, Structural isomer}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.04.015}, author = {Haldar, Saikat and Kale, Balaji S. and Jadhav, Dipesh D. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000331132300040, title = {MicroRNA156: a potential graft-transmissible microrna that modulates plant architecture and tuberization in solanum tuberosum ssp andigena}, journal = {Plant Physiology}, volume = {164}, number = {2}, year = {2014}, month = {FEB}, pages = {1011-1027}, publisher = {AMER SOC PLANT BIOLOGISTS}, address = {15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA}, abstract = {

MicroRNA156 (miR156) functions in maintaining the juvenile phase in plants. However, the mobility of this microRNA has not been demonstrated. So far, only three microRNAs, miR399, miR395, and miR172, have been shown to be mobile. We demonstrate here that miR156 is a potential graft-transmissible signal that affects plant architecture and tuberization in potato (Solanum tuberosum). Under tuber-noninductive (long-day) conditions, miR156 shows higher abundance in leaves and stems, whereas an increase in abundance of miR156 has been observed in stolons under tuber-inductive (short-day) conditions, indicative of a photoperiodic control. Detection of miR156 in phloem cells of wild-type plants and mobility assays in heterografts suggest that miR156 is a graft-transmissible signal. This movement was correlated with changes in leaf morphology and longer trichomes in leaves. Overexpression of miR156 in potato caused a drastic phenotype resulting in altered plant architecture and reduced tuber yield. miR156 overexpression plants also exhibited altered levels of cytokinin and strigolactone along with increased levels of LONELY GUY1 and StCyclin D3.1 transcripts as compared with wild-type plants. RNA ligase-mediated rapid amplification of complementary DNA ends analysis validated SQUAMOSA PROMOTER BINDING-LIKE3 (StSPL3), StSPL6, StSPL9, StSPL13, and StLIGULELESS1 as targets of miR156. Gel-shift assays indicate the regulation of miR172 by miR156 through StSPL9. miR156-resistant SPL9 overexpression lines exhibited increased miR172 levels under a short-day photoperiod, supporting miR172 regulation via the miR156-SPL9 module. Overall, our results strongly suggest that miR156 is a phloem-mobile signal regulating potato development.

}, issn = {0032-0889}, doi = {10.1104/pp.113.230714}, author = {Bhogale, Sneha and Mahajan, Ameya S. and Natarajan, Bhavani and Rajabhoj, Mohit and Thulasiram, Hirekodathakallu V. and Banerjee, Anjan K.} } @article { ISI:000346168600001, title = {Modification of crystal anisotropy and enhancement of magnetic moment of Co-doped SnO2 thin films annealed under magnetic field}, journal = {Nanoscale Research Letters}, volume = {9}, year = {2014}, month = {NOV}, pages = {635}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Co-doped SnO2 thin films were grown by sputtering technique on SiO2/Si(001) substrates at room temperature, and then, thermal treatments with and without an applied magnetic field (H-TT) were performed in vacuum at 600 degrees C for 20 min. H-TT was applied parallel and perpendicular to the substrate surface. Magnetic M(H) measurements reveal the coexistence of a strong antiferromagnetic (AFM) signal and a ferromagnetic (FM) component. The AFM component has a N,el temperature higher than room temperature, the spin axis lies parallel to the substrate surface, and the highest magnetic moment m =7 mu(B)/Co at. is obtained when H-TT is applied parallel to the substrate surface. Our results show an enhancement of FM moment per Co+2 from 0.06 to 0.42 mu(B)/Co at. for the sample on which H-TT was applied perpendicular to the surface. The FM order is attributed to the coupling of Co+2 ions through electrons trapped at the site of oxygen vacancies, as described by the bound magnetic polaron model. Our results suggest that FM order is aligned along [101] direction of Co-doped SnO2 nanocrystals, which is proposed to be the easy magnetization axis.

}, keywords = {Antiferromagnetism, Crystal anisotropy, Diluted magnetic oxide, Ferromagnetism, Magnetic anisotropy, Magnetic moment, Spin axis, thin film}, issn = {1556-276X}, doi = {10.1186/1556-276X-9-635}, author = {Loya-Mancilla, Sagrario M. and Poddar, Pankaj and Das, Raja and Ponce, Hilda E. Esparza and Templeton-Olivares, Ivan L. and Solis-Canto, Oscar O. and Ornelas-Gutierrez, Carlos E. and Espinosa-Magaa, Francisco and Olive-Mendez, Sion F.} } @article { ISI:000209665200041, title = {MoS2 nanoparticles and h-BN nanosheets from direct exfoliation of bulk powder: one-step synthesis method}, journal = {Materials Research Express}, volume = {1}, number = {3}, year = {2014}, month = {SEP}, pages = {035038}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

We report facile synthesis of MoS2 nanoparticles and h-BN nanosheets using ultrasonication method in suitable solvents such as N-Methyl-2-pyrrolidone and ethylene glycol, respectively. The average size of MoS2 nanoparticles observed from TEM analysis were 4-5 nm and about a few hundreds of nm for h-BN nanosheets. Raman spectroscopy carried out on nanoparticle samples confirms the formation of MoS2 nanoparticles and h-BN nanosheets. UV-vis absorption and photoluminescence (PL) measurements carried out on the products show typical absorption and luminescence spectra of MoS2 and h-BN. Further, we attempted to decorate gold nanoparticles on nanosheets of MoS2 and h-BN which show subsequent change in Raman spectra due to charge transfer interaction.

}, keywords = {h-BN, MoS2, Nanoparticles, nanosheets, Optical properties}, issn = {2053-1591}, doi = {10.1088/2053-1591/1/3/035038}, author = {Thripuranthaka, M. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000337652700002, title = {Mucor hiemalis mediated 14 alpha-hydroxylation on steroids: In vivo and in vitro investigations of 14 alpha-hydroxylase activity}, journal = {Steroids}, volume = {85}, year = {2014}, month = {JUL}, pages = {6-12}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Transformation of testosterone and progesterone into synthetically challenging 14 alpha-hydroxy derivatives was achieved by using fungal strain Mucor hiemalis. Prolonged incubation led to the formation of corresponding 6 beta/7 alpha,14 alpha-dihydroxy metabolites. The position and stereochemistry of newly introduced hydroxyl group was determined by detailed spectroscopic analyses. The time course experiment indicated that fungal strain initiated transformation by hydroxylation at 14 alpha-position followed by at 6 beta- or 7 alpha-positions. Studies using cell-free extracts suggest that the 14 alpha-hydroxylase activity is NADPH dependent and belongs to the cytochrome P450 family. (C) 2014 Elsevier Inc. All rights reserved.

}, keywords = {14 alpha-Hydroxylase, Biotransformation, Mucor hiemalis, Progesterone, Testosterone}, issn = {0039-128X}, doi = {10.1016/j.steroids.2014.04.002}, author = {Kolet, Swati P. and Haldar, Saikat and Niloferjahan, Siddiqui and Thulasiram, Hirekodathakallu V.} } @article { ISI:000330820500057, title = {Nanocrystalline Ce doped CoFe2O4 as an acetone gas sensor}, journal = {Ceramics International}, volume = {40}, number = {1, A}, year = {2014}, month = {JAN}, pages = {447-452}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Nanocrystalline CoFe2-xCexO4 ferrites (x=0, 0.04, 0.08) were synthesized by using the inexpensive, simple and eco-friendly molten-salt (M-S) method. Effects of Ce doping on the structural, morphological and gas sensing properties of the CoFe2O4 ferrite were investigated. X-ray diffraction (XRD) analysis revealed the formation of spinel CoFe2O4. Transmission electron microscopy (TEM) investigations showed that the synthesized ferrite is made up of very fine spherical nanoparticles. Furthermore, the gas response of nanocrystalline ferrite materials was investigated in the temperature range of 200-450 degrees C toward the reducing gases like liquefied petroleum gas (LPG), acetone, ethanol and ammonia. The sensor response was found to be sensitive and selective toward acetone as compared to other reducing gases. It is observed that the addition of Ce (4 wt\%) strongly influenced the response and the operating temperature of the sensor material and thus can serve as acetone-sensing sensors. (C) 2013 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {CoFe2O4, Ferrite, Gas sensor, Molten-salt method, TEM}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2013.06.021}, author = {Khandekar, M. S. and Tarwal, N. L. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000330799900054, title = {Nickel cobalt sulfide nanoneedle array as an effective alternative to pt as a counter electrode in dye sensitized solar cells}, journal = {RSC Advances}, volume = {4}, number = {16}, year = {2014}, month = {NOV}, pages = {8289-8294}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c3ra45981k}, author = {Banerjee, Abhik and Upadhyay, Kush Kumar and Bhatnagar, Sumit and Tathavadekar, Mukta and Bansode, Umesh P. and Agarkar, Shruti A. and Ogale, Satishchandra B.} } @article { ISI:000329101700009, title = {Nonisothermal analysis of extrusion film casting process using molecular constitutive equations}, journal = {Rheologica Acta}, volume = {53}, number = {1}, year = {2014}, month = {JAN}, pages = {85-101}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Branched, Extrusion, Film, Linear, Necking, Nonisothermal, Polyethylene}, issn = {0035-4511}, doi = {10.1007/s00397-013-0739-x}, author = {Pol, Harshawardhan and Banik, Sourya and Azad, Lal Busher and Thete, Sumeet Suresh and Doshi, Pankaj and Lele, Ashish K.} } @article { ISI: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:000348013600024, title = {Novel synthesis and characterization of CuO nanomaterials: biological applications}, journal = {Chinese Chemical Letters}, volume = {25}, number = {12}, year = {2014}, month = {DEC}, pages = {1615-1619}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

CuO nanoparticles were synthesized at a relatively low temperature (80 degrees C) for 2 h using polyethylene glycol-glycerol mixture which acts as a capping agent. A detailed characterization of the synthesized nanomaterials were performed utilizing X-ray diffraction (XRD), infra-red spectroscopy (IR), thermogravimetric analysis (TGA-DTA), transmission electron microscopy (TEM), photoluminescence (PL) by studying its crystalline phase, vibrational mode, thermal analysis, morphology and photoluminescence properties. The effect of annealing on the as-prepared nanoparticles were studied and compared with their corresponding bulk counterpart. The synthesized nanoparticles have been screened for in vitro cytotoxicity (IC50) studies against the human cervical adenocarcinoma cell line (HeLa) using MTT assay methods. The as-prepared nanoparticle inhibits the proliferation of this HeLa cell. The standard disc diffusion method has been used to study the antibacterial activity of the samples against the human pathogenic bacteria Escherichia coli (MTCC 729), Proteus mirabilis (MTCC 425) and Klebsiella pneumoniae subsp. pneumoniae (MTCC 432). The results have been compared with the positive control antibiotic gentamycin. The synthesized nanoparticles would provide a potential alternative to antibiotics for controlling some of the microorganisms causing urolithiasis. (C) 2014 Meitram Niraj Luwang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

}, keywords = {Annealing, Antibacterials, CuO nanoparticles, Cytotoxicity, HeLa cell lines}, issn = {1001-8417}, doi = {10.1016/j.cclet.2014.07.014}, author = {Devi, Ayekpam Bimolini and Moirangthem, Dinesh Singh and Talukdar, Narayan Chandra and Devi, M. Damayanti and Singh, N. Rajen and Luwang, Meitram Niraj} } @article { ISI: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:000341017700012, title = {Optimization of the anti-cancer activity of the phosphatidylinositol-3 kinase pathway inhibitor PITENIN-1: switching thiourea with 1,2,3-triazole}, journal = {Medchemcomm}, volume = {5}, number = {9}, year = {2014}, month = {SEP}, pages = {1359-1363}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We previously reported encouraging in vitro and in vivo anti-cancer activity of N-((3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl) benzamide (termed PITENIN-1). In the current work, we describe the structure-activity relationship study of the PIT-1 series, based on the replacement of a central thiourea unit with 1,2,3-triazole, which leads to increased liver microsomal stability, drug likeness and toxicity towards cancer cells.

}, issn = {2040-2503}, doi = {10.1039/c4md00109e}, author = {Kommagalla, Yadagiri and Cornea, Sinziana and Riehle, Robert and Torchilin, Vladimir and Degterev, Alexei and Ramana, Chepuri V.} } @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: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 { ISI:000343686500039, title = {Photocatalytic metal-organic framework from cds quantum dot incubated luminescent metallohydrogel}, journal = {Journal of the American Chemical Society}, volume = {136}, number = {42}, year = {2014}, month = {OCT}, pages = {14845-14851}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Cadmium sulfide (CdS) quantum dots (\<10 nm in size) have been successfully synthesized in situ without any capping agent in a Zn(II)-based low-molecular-weight metallohydrogel (ZAVA). Pristine ZAVA hydrogel shows blue luminescence, but the emission can be tuned upon encapsulation of the CdS quantum dots. Time-dependent tunable emission (white to yellow to orange) of the CdS incubated gel (CdS@ZAVA gel) can be attributed to sluggish growth of the quantum dots inside the gel matrix. Once CdS quantum dots are entrapped, their augmentation can be stopped by converting the gel into xerogel, wherein the quantum dots remains embedded in the solid xerogel matrix. Similar size stabilization of CdS quantum dots can be achieved by means of a unique room-temperature conversion of the CdS incubated ZAVA gel to CdS incubated MOF (CdS@ZAVCl) crystals. This in turn arrests the tunability in emission owing to the restriction in the growth of CdS quantum dots inside xerogel and MOF. These CdS embedded MOFs have been utilized as a catalyst for water splitting under visible light.

}, issn = {0002-7863}, doi = {10.1021/0509019k}, author = {Saha, Subhadeep and Das, Gobinda and Thote, Jayshri and Banerjee, Rahul} } @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.} } @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 {46370, title = {Plasmonic light harvesting of dye sensitized solar cells by Au-nanoparticle loaded TiO2 nanofibers}, journal = {Journal of Materials Chemistry A}, volume = {2}, year = {2014}, month = {FEB}, pages = {975-984}, type = {Article}, abstract = {

We report a significant enhancement in the performance of dye sensitized solar cells by using in situ Au nanoparticle (Au NP) loaded TiO2 nanofibers (Au: TiO2 NFs) as the light harvesting (LH) layer as compared to the use of only TiO2 nanofibers (NFs) as the LH layer. The Au NP: TiO2 nanofibers are prepared by electro-spinning of a precursor mixture whereby nanostructured porous TiO2 nanofibers are formed and get in situ loaded with only 4-5 nm AuNPs. The as-synthesized nanofibers are characterized by X-ray diffraction, Raman, photoluminescence (PL) and Mott-Schottky analyses. The presence of gold nanoparticles shows considerable improvements in light harvesting and the electrochemical properties of TiO2 nanofibers. A remarkable enhancement in the efficiency by 25\% is achieved with the AuNF LH layer as compared to 12\% with the NF layer, over the value without any light harvesting layer. The IPCE and impedance analyses reveal commensurate improvements. The impedance study shows a decrease in the transport resistance (R-TiO2) and an increment in the chemical capacitance and life time of the solar cell. Systematic analyses of the optical properties suggest that the enhanced light harvesting by Au NP loaded TiO2 nanofibers is caused by the role of plasmon-polariton modes at the distributed nanoscale Schottky junctions in the Au: TiO2 nanofibers.

}, issn = {2050-7488}, doi = {10.1039/c3ta13246c}, author = {Naphade, Rounak A. and Tathavadekar, Mukta and Jog, Jyoti P. and Agarkar, Shruti and Ogale, Satishchandra} } @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 { ISI:000331020000010, title = {Polyketide synthesis in tobacco plants transformed with a plumbago zeylanica type III hexaketide synthase}, journal = {Phytochemistry}, volume = {98}, year = {2014}, month = {FEB}, pages = {92-100}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A type III polyketide synthase from Plumbago zeylanica (PzPKS) was cloned and expressed in tobacco plants to study whether the transgenic tobacco plants expressing PzPKS synthesize the pharmacologically important polyketide, plumbagin. High resolution mass spectrometry based metabolite profiling of two transgenic events and wild type tobacco plants was carried out to investigate changes in polyketides, including plumbagin. Ten polyketides, which included six pyrones and four naphthalene derivatives, were identified in PzPKS transgenic plants. While one pyrone, styry1-2-pyranone, was detected in both, wild type and transgenic tobacco plants, three pyrones were expressed only in the leaves of transgenic tobacco plants. The transgenic tobacco plants did not accumulate plumbagin, but showed accumulation of isoshinanolone in the roots, which is postulated to be the reduction product of plumbagin. In addition, leaves of transgenic tobacco plants accumulated 3-methyl-1,8-naphthalenediol, a postulated precursor of plumbagin. The results indicated the requirement of additional Plumbago-specific components in the biosynthetic pathway of this polyketide. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {HR-MS, Metabolite profiling, Napthalene derivatives, Plumbago zeylanica L., Polyketide synthase, Pyrones, Tobacco transgenics}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2013.11.017}, author = {Jadhav, Supriya and Phapale, Prasad and Thulasiram, Hirekodathakallu V. and Bhargava, Sujata} } @article {42443, title = {Practical synthesis of phthalimides and benzamides by a multicomponent reaction involving arynes, isocyanides, and CO2/H2O}, journal = {Organic Letters}, volume = {16}, year = {2014}, month = {MAR}, pages = {1728{\textendash}1731}, abstract = {

Transition-metal-free multicomponent reactions involving arynes and isocyanides with either CO2 or H2O have been reported. With CO2 as the third component, the reactions resulted in the formation of N-substituted phthalimides. The utility of water as the third component furnished benzamide derivatives in moderate to good yields. These reactions took place under mild conditions with broad scope.

}, doi = {10.1021/ol500403x}, author = {Kaicharla, Trinadh and Thangaraj, Manikandan and Biju, Akkattu T.} } @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:000351153700001, title = {Processable aromatic polyesters based on bisphenol derived from cashew nut shell liquid: synthesis and characterization}, journal = {Journal of Polymer Research}, volume = {21}, number = {12}, year = {2014}, month = {NOV}, pages = {617}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A new bisphenol viz., 4-(4-hydroxyphenoxy)-3-pentadecylphenol (HPPDP) was synthesized starting from cashew nut shell liquid (CNSL). Aromatic (co)polyesters containing ether linkages in the main chain and pendent pentadecyl chains were synthesized by the interfacial polycondensation of HPPDP with terephthalic acid chloride (TPC), isophthalic acid chloride (IPC) and a mixture of TPC and IPC (50: 50 mol \%) and by polycondenation of varying composition of HPPDP and bisphenol-A (BPA) with TPC. The resultant (co) polyesters exhibited inherent viscosities in the range 0.70-1.21 dL g(-1) and number-average molecular weights in the range 16,000-48,200 (GPC, polystyrene standard). Polyesters were soluble in common organic solvents such as chloroform and dichloromethane and could be cast into films from chloroform solution. Polyesters exhibited T-10 values in the range 430-455 degrees C and Tg values were in the range 29-202 degrees C. Dynamic mechanical storage modulus and maximum on transition of tan delta curve decreased with increased content of HPPDP in copolyesters. Importantly, the large difference between Tg and T-10 values offers the possibility to process these polyesters in the melt.

}, keywords = {Aromatic polyesters, Cashew nut shell liquid, pentadecyl, Polycondensation, processability, Thermal properties}, issn = {1022-9760}, doi = {10.1007/s10965-014-0617-y}, author = {Tawade, Bhausaheb V. and Salunke, Jagadish K. and Sane, Prakash S. and Wadgaonkar, Prakash P.} } @article { ISI:000339880300021, title = {Proteomics of arsenic stress in the gram-positive organism Exiguobacterium sp PS NCIM 5463}, journal = {Applied Microbiology and Biotechnology}, volume = {98}, number = {15}, year = {2014}, month = {AUG}, pages = {6761-6773}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The general responses of microorganisms to environmental onslaughts are modulated by altering the gene expression pattern to reduce damage in the cell and produce compensating stress responses. The present study attempts to unravel the response of the Gram-positive Exiguobacterium sp. PS NCIM 5463 in the presence of [As(III)] and arsenate [As(V)] using comparative proteomics via two-dimension gel electrophoresis (2-DE) coupled with identification of proteins using matrix-assisted laser desorption/ionisation (MALDI-TOF/MALDI-TOF/TOF). Out of 926 Coomassie-stained proteins, 45 were differentially expressed (p \< 0.05). Considering the resolution and abundance level, 24 spots (peptides) were subjected to MALDI analysis, identified and categorised into several functional categories, viz., nitrogen metabolism, energy and stress regulators, carbohydrate metabolism, protein synthesis components and others. A functional role of each protein is discussed in Exiguobacterium sp. PS 5463 under arsenic stress and validated at their transcript level using a quantitative real-time polymerase chain reaction. Unlike previous reports that unravel the responses toward arsenic stress in Gram-negative organisms, the present study identified new proteins under arsenic stress in a Gram-positive organism, Exiguobacterium sp. PS NCIM 5463, which could elucidate the physiology of organisms under arsenic stress.

}, keywords = {Arsenic, Exiguobacterium, proteomics, Stress, Transcriptomics}, issn = {0175-7598}, doi = {10.1007/s00253-014-5873-6}, author = {Sacheti, Poonam and Patil, Rajendra and Dube, Ankita and Bhonsle, Hemangi S. and Thombre, Dipalee and Marathe, Sayali and Vidhate, Ravindra and Wagh, Priyanka and Kulkarni, Mahesh J. and Rapole, Srikanth and Gade, Wasudeo N.} } @article { ISI:000329385800009, title = {Reaction kinetics and modeling of photoinitiated cationic polymerization of an alicyclic based diglycidyl ether}, journal = {Nuclear Instruments \& Methods in Physics Research Section B-Beam Interactions with Materials and Atoms}, volume = {318}, number = {B}, year = {2014}, month = {JAN}, pages = {263-268}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Photoinitiated cationic polymerization of cycloaliphatic diepoxides had received tremendous attention, while studies with lesser polymerizable diglycidyl ethers are comparatively less reported. The present work deals with the photoinitiated cationic polymerization of cyclohexane dimethanol diglycidyl ether followed by estimation of kinetic parameters. The effects of concentration of photoinitiator and temperature on curing performance were studied using photo differential scanning calorimeter or photo DSC with polychromatic radiation. It was observed that the rate of polymerization as well as ultimate conversion increased with increasing concentration of photoinitiator and temperature. The influences of gelation as well as diffusional restrictions have remarkable effect on cure performance. The kinetic parameters as per autocatalytic kinetic model were studied by Levenberg-Marquardt nonlinear regression method instead of conventional linear method for obtaining more accurate values of apparent rate constant. It was observed that the model fits with data from initial stages to almost towards the end of the reaction. The activation energy was found to be higher than the values reported for more reactive cycloaliphatic diepoxides. The value of pre-exponential factor increased with increase in activation energy showing influence of gelation at early stages of reaction. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Autocatalytic model, kinetics, Levenberg-Marquardt method, Photopolymerization}, issn = {0168-583X}, doi = {10.1016/j.nimb.2013.10.004}, author = {Harikrishna, Reghunathan and Ponrathnam, S. and Tambe, S. S.} } @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:000343023900010, title = {Resistance through inhibition: ectopic expression of serine protease inhibitor offers stress tolerance via delayed senescence in yeast cell}, journal = {Biochemical and Biophysical Research Communications}, volume = {452}, number = {3}, year = {2014}, month = {SEP}, pages = {361-368}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Protease inhibitors have been known to confer multiple stress tolerance in transgenic plants. We have assessed growth of yeast (Pichia pastoris GS115) strains expressing inhibitory repeat domains (PpIRD(+)) of previously characterized Capsicum annuum protease inhibitors under high salt, heavy metal and oxidative stress. PpIRD(+) strains exhibited multiple stress tolerance and showed differential molecular responses at transcriptional and translational level on exposure to stress inducing agents like heavy metal, high salt and H2O2. PpIRD(+) strains display significant reduction in metacaspase (Yca1) activity, the key enzyme in apoptosis, indicates the possibility of cross reactivity of IRDs (serine protease inhibitor) with cysteine proteases. PpIRD(+) and Saccharomyces cerevisiae knockout with Yca1 (Delta Yca1) strain showed similar growth characteristics under stress, which indicated the delayed senescence due to cellular metacaspase inhibition. Molecular docking study showed a close proximity of IRDs reactive site and the active site of metacaspase in the complex that signified their strong interactions. Maintenance of GAPDH activity, primary target of metacaspase, in PpIRD(+) strain evidenced the inhibition of metacaspase activity and survival of these cells under stress. This report demonstrates a potential molecular mechanism of protease inhibitor-based multiple stress tolerance in yeast strains. (C) 2014 Elsevier Inc. All rights reserved.

}, keywords = {Metacaspase, Multiple stress tolerance, protease inhibitor, Yeast}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2014.08.075}, author = {Joshi, Rakesh S. and Tanpure, Rahul S. and Singh, Rajan Kumar and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000342883100029, title = {Rhodococcus enclensis sp nov., a novel member of the genus rhodococcus}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {64}, number = {8}, year = {2014}, month = {AUG}, pages = {2693-2699}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A novel actinobacterial strain, designated, NIO-1009(T), was isolated from a marine sediment sample collected from Chorao Island, Goa, India. Phylogenetic analysis comparisons based on 16S rRNA gene sequences between strain MO-1009(T) and other members of the genus Rhodococcus revealed that strain NI0-1009(T) had the closest sequence similarity to Rhodococcus kroppenstedtii DSM 44908(T) and Rhodococcus corynebacterioides DSM 20151(T) with 99.2 and 99.1\%, respectively. Furthermore, DNA-DNA hybridization results showed that R. kroppenstedtii DSM 44908(T) and R. corynebacterioides DSM 20151(T) were 39.5 (3.0\%) and 41.7 (2.0\%) with strain NIO-1009(T), respectively, which were well below the 70\% limit for any novel species proposal. Phylogenetically strain NIO-1009(T) forms a stable clade with and R. kroppenstedtii DSM 44908(T) and R. corynebacterioides DSM 201511 with 100\% bootstrap values. Strain NI-1009(T) contained meso-diaminopimelic acid as the diagnostic diamino acid and galactose and arabinose as the cell wall sugars. The major fatty acids were C-16:0, C-18:1 omega 9c, C-16:1(omega 6C and/or omega 7c) and 10-methyl C-18:0. The only menaquinone detected was MK-8(H-2), while the major polar lipids were diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol, phosphatidylinositol, phosphatidylinositol mannoside and one unknown phospholipid. The G + C content of the genomic DNA was 66.9 molok. The phenotypic and genotypic data showed that strain NIO-1009(T) warrants recognition as a novel species of the genus Rhodococcus for which the name Rhodococcus enclensis sp. nov., is proposed; the type strain is NIO-1009(T) (=NCIM 5452(T)=DSM 45688(T)).

}, issn = {1466-5026}, doi = {10.1099/ijs.0.061390-0}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Tang, Shan-Kun and Krishnamurthi, Srinivasan and Ramana, V. Venkata and Joseph, Neeta and Shouche, Yogesh S.} } @article { ISI: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:000341543200034, title = {Soft colloidal scaffolds capable of elastic recovery after large compressive strains}, journal = {Chemistry of Materials}, volume = {26}, number = {17}, year = {2014}, month = {SEP}, pages = {5161-5168}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Assemblies of inorganic or glassy particles are typically brittle and cannot sustain even moderate deformations. This restricts the use of such materials to applications where they do not experience significant loading or deformation. Here, we demonstrate a general strategy to create centimeter-size macroporous monoliths, composed primarily (\>90 wt \%) of colloidal particles, that recover elastically after compression to about one-tenth their original size. We employ ice templating of an aqueous dispersion of particles, polymer, and cross-linker such that cross-linking happens in the frozen state. This method yields elastic composite scaffolds for starting materials ranging from nanoparticles to micron-sized dispersions of inorganics or glassy lattices. The mechanical response of the monoliths is also qualitatively independent of polymer type, molecular weight, and even cross-linking chemistry. Our results suggest that the monolith mechanical properties arise from the formation of a unique hybrid microstructure, generated by cross-linking the polymer during ice templating. Particles that comprise the scaffold walls are connected by a cross-linked polymeric mesh. This microstructure results in soft monoliths, with moduli similar to O (10(4) Pa), despite the very high particle content in their walls. A remarkable consequence of this microstructure is that the monolith mechanical response is entropic in origin: the modulus of these scaffolds increases with temperature over a range of 140 K. We show that interparticle connections formed by cross-linking during ice templating determine the monolith modulus and also allow relative motion between connected particles, resulting in entropic elasticity.

}, issn = {0897-4756}, doi = {10.1021/cm502643a}, author = {Rajamanickam, Raja and Kumar, Sushma and Kumar, Deepak and Ghosh, Shankar and Kim, Jong Chul and Tae, Giyoong and Sen Gupta, Sayam and Kumaraswamy, Guruswamy} } @article { ISI:000334141800011, title = {Soft-sensor development for biochemical systems using genetic programming}, journal = {Biochemical Engineering Journal}, volume = {85}, year = {2014}, month = {APR}, pages = {89-100}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Soft-sensors are software based process monitoring systems/models. In real-time they estimate those process variables, which are difficult to measure online or whose measurement by analytical procedures is tedious and time-consuming. In this study, the genetic programming (GP), an artificial intelligence based data-driven modeling formalism, has been introduced for the development of soft-sensors for biochemical processes. The novelty of the GP is that given example input-output data, it searches and optimizes both the form (structure) and parameters of an appropriate linear/nonlinear data-fitting model. In this study, GP-based soft-sensors have been developed for two bioprocesses, namely extracellular production of lipase enzyme and bacterial production of poly(3-hydroxybutyrate-co-3-hydroxyvalerate) copolymer. While in case study-I, the soft-sensor predicts the time-dependent lipase activity (U/ml), in case study-II it predicts the amount of accumulated polyhydroxyalkanoates (\% dcw). The prediction and generalization performance of the GP-based soft-sensors was compared with the corresponding multi-layer perceptron (MLP) neural network and support vector regression (SVR) based soft-sensors. This comparison indicates that in the first case study the GP-based soft-sensor with the training and test set correlation coefficient (root-mean-squared-error) magnitudes of \>0.96 (approximate to 0.962 U/ml) has clearly outperformed the two other soft-sensors. In case study-II involving bacterial copolymer production, the GP and SVR based soft-sensors have performed equally well (correlation coefficient approximate to 0.98) while the MLP based soft-sensor{\textquoteright}s performance was relatively inferior (correlation coefficient approximate to 0.94). (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Artificial intelligence, Batch processing, Bioprocess monitoring, Lipase, Modeling, sensors}, issn = {1369-703X}, doi = {10.1016/j.bej.2014.02.007}, author = {Sharma, Suraj and Tambe, Sanjeev S.} } @article { ISI:000337551800010, title = {Solid base supported metal catalysts for the oxidation and hydrogenation of sugars}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {388}, number = {SI}, year = {2014}, month = {JUL}, pages = {90-99}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Pt impregnated on gamma-Al2O3 (acidic support) and hydrotalcite (basic support) catalysts were synthesized, characterized and used in the oxidation and hydrogenation reactions of C5 and C6 sugars. In the absence of homogeneous base, 83\% yield for gluconic acid; an oxidation product of glucose can be achieved over Pt/hydrotalcite (HT) catalyst at 50 degrees C under atmospheric oxygen pressure. Similarly, 57\% yield for xylonic acid, an oxidation product of xylose is also possible over Pt/HT catalyst. Hydrogenation of glucose conducted using Pt/gamma-Al2O3 + HT catalytic system showed 68\% sugar alcohols (sorbitol + mannitol) formation. The 82\% yield for C5 sugar alcohols (xylitol + arabitol) was obtained by subjecting xylose to hydrogenation over Pt/gamma-Al2O3 + HT at 60 degrees C. UV analysis helped to establish the fact that under alkaline conditions sugars prefer to remain in open chain form in the solution and thus exposes -CHO group which further undergoes oxidation and hydrogenation reactions to yield acids and alcohols. (c) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Hydrogenation, Oxidation, Solid base, Sugars, Supported metal catalysts}, issn = {1381-1169}, doi = {10.1016/j.molcata.2013.09.014}, author = {Tathod, Anup and Kane, Tanushree and Sanil, E. S. and Dhepe, Paresh Laxmikant} } @article { ISI: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:000344244700034, title = {Specific probe for Hg2+ to delineate even H+ in pure aqueous buffer/Hct116 colon cancer cells: Hg(II)-eta(2)-arene pi-interaction and a TBET-based fluorescence response}, journal = {Chemical Communications}, volume = {50}, number = {92}, year = {2014}, month = {SEP}, pages = {14421-14424}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new molecular probe that demonstrates a distinct TBET process, induced by the Hg(II)-eta(2)-arene pi-interaction, in pure aqueous medium with a large pseudo-Stokes shift of 200 nm.

}, issn = {1359-7345}, doi = {10.1039/c4cc06740a}, author = {Reddy, Upendar G. and Ramu, Vadde and Roy, Sovan and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000331848900023, title = {Stress inducible proteomic changes in capsicum annuum leaves}, journal = {Plant Physiology and Biochemistry}, volume = {74}, year = {2014}, month = {JAN}, pages = {212-217}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Herbivore attack induces defense responses in plants, activating several signaling cascades. As a result, molecules deterrent to the herbivores are produced and accumulated in plants. Expression of defense mechanism/traits requires reorganization of the plant metabolism, redirecting the resources otherwise meant for growth. In the present work, protein profile of Capsicum annuum leaves was examined after herbivore attack/induction. Majority of proteins identified as differentially accumulated, were having roles in redox metabolism and photosynthesis. For example, superoxide dismutase and NADP oxidoreductase were upregulated by 10- and 6-fold while carbonic anhydrase and fructose-1,6-bisphosphatase were downregulated by 9- and 4-fold, respectively. Also, superoxide dismutase, NADPH quinone oxidoreductase and NADP dependent isocitrate dehydrogenase transcripts showed a higher accumulation in induced leaf tissues at early time points. In general, proteins having role in defense and damage repair were upregulated while those involved in photosynthesis appeared downregulated. Thus metabolic reconfiguration to balance defense and tolerance was evident in the stress-induced leaves. (C) 2013 Elsevier Masson SAS. All rights reserved.

}, keywords = {Capsicum annuum, Oxidative stress, Wounding}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2013.11.017}, author = {Mahajan, Neha S. and Mishra, Manasi and Tamhane, Vaijayanti A. and Gupta, Vidya S. and Giri, Ashok P.} } @article {46396, title = {Structural basis of Iridoid synthase mediated cyclization of 10-oxogeranial}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C270}, type = {Meeting Abstract}, keywords = {Cryo-EM, iridoid synthase, Single Particle reconstruction}, issn = {2053-2733}, author = {Sandholu, Anandsukeerthi and H. V. Thulasiram and Sengupta, Jayati and Kulkarni, Kiran} } @article { 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 {46372, title = {Supramolecular synthon hierarchy in bumetanide cocrystals}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {FEB}, pages = {C721}, type = {Meeting Abstract}, keywords = {Novel cocrystals of sulfonamide drug Bumetanide with carboxamides are developed based on supramolecular synthons approach}, issn = {2053-2733}, author = {Allu, Suryanarayana and Bolla, Geetha and Tothadi, Srinu and Nangia, Ashwini} } @article { ISI:000333205200038, title = {Synthesis and characterization of 3-[N,N {\textquoteleft}-bis-3-(salicylidenamino)ethyltriamine] Mo(VI)O-2@SBA-15: a highly stable and reusable catalyst for epoxidation and sulfoxidation reactions}, journal = {RSC Advances}, volume = {4}, number = {27}, year = {2014}, month = {MAR}, pages = {14063-14073}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The efficient and reusable oxidation catalyst 3-[N,N{\textquoteright}-bis-3-(salicylidenamino)ethyltriamine] Mo(VI)O-2@SBA-15 has been synthesized by the anchoring of the 3-[N,N-bis-3-(salicylidenamino)ethyltriamine] ligand (L or Salpr) on the inner surfaces of organofunctionalized SBA-15 and subsequent complexation with Mo(VI) O-2(acac)(2). The physico-chemical properties of the functionalized catalysts were analyzed by elemental analysis, ICP-OES, XRD, N-2-sorption measurements, TG \& DTA, solid state C-13, Si-29 NMR spectroscopy, FT-IR, Raman spectroscopy, XPS, DRS UV-Vis spectroscopy, SEM and TEM. XRD and N-2 sorption analyses helped to find out the morphological and textural properties of the synthesized catalysts and confirm that an ordered mesoporous channel structure was retained even after the multistep synthetic procedures. The (100), (110) and (200) reflections in SBA-15 provide hints of a good structural stability, the existence of long range ordering and a high pore wall thickness. TG and DTA results reveal that the thermal stability of (L)Mo(VI)O-2@SBA-15 was maintained up to 300 degrees C. The organic moieties anchored over the surface of the SBA-15 support were determined by solid state C-13 NMR and FT-IR spectroscopy. Further, solid state Si-29 NMR spectroscopy provides the information about the degree of functionalization of the surface silanol groups with the organic moiety. The electronic environment and the oxidation state of the molybdenum site in (L)Mo(VI)O-2@SBA-15 were monitored by Raman spectroscopy, XPS and DRS UV-Vis techniques. Moreover, the morphology and topographic information of the synthesized catalysts were confirmed by SEM and TEM imaging. The synthesized catalysts were evaluated in epoxidation and sulfoxidation reactions, and the results show that (L)Mo(VI)O-2@SBA-15 exhibits high conversion and selectivity towards epoxidation and sulfoxidation reactions in combination with high stability. The anchored solid catalysts can be recycled effectively and reused several times without major loss in activity. In addition, Sheldon{\textquoteright}s hot filtration test was also carried out.

}, issn = {2046-2069}, doi = {10.1039/c3ra47222a}, author = {Lazar, Anish and Thiel, Werner R. and Singh, A. P.} } @article { ISI:000340525300012, title = {Synthesis of alpha,beta-unsaturated delta-lactones by vinyl acetate mediated asymmetric cross-aldol reaction of acetaldehyde: mechanistic insights}, journal = {European Journal of Organic Chemistry}, number = {24}, year = {2014}, month = {AUG}, pages = {5247-5255}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A tandem asymmetric cross-aldol reaction involving the in situ generation of acetaldehyde from vinyl acetate has been developed that may resolve the challenges associated with the handling of acetaldehyde. The simple protocol, mild reaction conditions and unique harmony of an organocatalyst with a biocatalyst make this method a valuable tool for the synthesis of asymmetric beta-hydroxy aldehydes. By using this methodology we have accessed alpha,beta-unstaurated delta-lactones as well as isochromenones with high enantioselectivities from both asymmetric beta-hydroxy aldehydes and ketones. Systemic density functional theory (DFT) studies were also performed to gain mechanistic insights into the role of hydrogen bonding in the asymmetric cross-aldol reaction of acetaldehyde and in the key cis/trans isomerisation step in the synthesis of d-lactones.

}, keywords = {Aldol reactions, asymmetric catalysis, lactones, reaction mechanisms}, issn = {1434-193X}, doi = {10.1002/ejoc.201402551}, author = {Kumar, Manjeet and Kumar, Arvind and Rizvi, Masood and Mane, Manoj and Vanka, Kumar and Taneja, Subhash C. and Shah, Bhahwal Ali} } @article {42438, title = {Tandem [4 + 2]/[2 + 2] cycloaddition reactions involving indene or benzofurans and arynes}, journal = {Organic Letters}, volume = {16}, year = {2014}, month = {JUN}, pages = {3576{\textendash}3579}, abstract = {

The reaction of arynes with indene/benzofurans has been developed. The arynes were generated from 2-(trimethylsilyl)aryl triflates by the fluoride-induced 1,2-elimination react with indene or various benzofurans proceeding via a cascade reaction involving the Diels{\textendash}Alder reaction and a [2 + 2] cycloaddition reaction. The tandem process afforded functionalized dihydrobenzocyclobutaphenanthrenes in moderate to good yields. Moreover, the method has been utilized for the one-pot synthesis of benzo[b]fluoranthene.

}, doi = {10.1021/ol501579d}, author = {Bhojgude, Sachin Suresh and Thangaraj, Manikandan and Suresh, Eringathodi and Biju, Akkattu T.} } @article { ISI:000330201900057, title = {Temperature Dependent Phonon Shifts in Single-Layer WS2}, journal = {Acs Applied Materials \& Interfaces}, volume = {6}, number = {2}, year = {2014}, month = {JAN}, pages = {1158-1163}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Atomically thin two-dimensional tungsten disulfide (WS2) sheets have attracted much attention due to their potential for future nanoelectronic device applications. We report first experimental investigation on temperature dependent Raman spectra of single-layer WS2 prepared using micromechanical exfoliation. Our temperature dependent Raman spectroscopy results shows that the E-2g(1) and A(1g) modes of single-layer WS2 soften as temperature increases from 77 to 623 K. The calculated temperature coefficients of the frequencies of 2LA(M), E-2g(1), A(1g), and A(1g)(M) + LA(M) modes of single-layer WS2 were observed to be -0.008, -0.006, -0.006, and -0.01 cm(-1) K-1, respectively. The results were explained in terms of a double resonance process which is active in atomically thin nanosheet. This process can also be largely applicable in other emerging single-layer materials.

}, keywords = {layered materials, phonon vibrations, Raman spectroscopy, thermal effect, WS2}, issn = {1944-8244}, doi = {10.1021/am404847d}, author = {Thripuranthaka, M. and Late, Dattatray J.} } @article { ISI:000334078500086, title = {Temperature dependent Raman spectroscopy of chemically derived few layer MoS2 and WS2 nanosheets (vol 104, 081911, 2014)}, journal = {Applied Physics Letters}, volume = {104}, number = {12}, year = {2014}, month = {MAR}, pages = {129901}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, issn = {0003-6951}, doi = {10.1063/1.4869463}, author = {Thripuranthaka, M. and Kashid, Ranjit V. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000332619100046, title = {Temperature dependent Raman spectroscopy of chemically derived few layer MoS2 and WS2 nanosheets}, journal = {Applied Physics Letters}, volume = {104}, number = {8}, year = {2014}, month = {FEB}, pages = {081911}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {We have systematically investigated the temperature dependent Raman spectroscopy behavior of a few layered MoS2 and WS2 nanosheets synthesized using simple hydrothermal method. Our result reveals A(1g) and E-2g(1) modes soften as temperature increases from 77 K to 623 K. This behavior can be explained in terms of a double resonance process which is active in single-and few layer thick nanosheets. The frequency shifts and peak broadening can provide unambiguous, nondestructive, and accurate information of a few layered MoS2 and WS2. This mechanism can also be applicable in characterizing the structural, optical, electronic, and vibrational properties of other emerging layered materials. (c) 2014 AIP Publishing LLC.}, issn = {0003-6951}, doi = {10.1063/1.4866782}, author = {Thripuranthaka, M. and Kashid, Ranjit V. and Rout, Chandra Sekhar and Late, Dattatray J.} } @conference { ISI:000358999700317, title = {To study non linear features in circadian heart rate variability amongst healthy subjects}, booktitle = {2014 International Conference on Advances in Computing, Communications and Informatics (ICACCI)}, year = {2014}, note = {3rd International Conference on Advances in Computing, Communications and Informatics (ICACCI), New Delhi, INDIA, SEP 24-27, 2014}, month = {SEP}, pages = {1921-1927}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, organization = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {New Delhi, India}, abstract = {

ECG signal is used for diagnosis of ailments of heart. HRV is used as a predictive and prognostic marker of autonomic dis-functioning. ANS is known to influence heart and any dis-functioning of this system leads to cardiac disorders. ANS has endogenous circadian rhythm. Circadian rhythms are responsible for physical, mental and behavioral changes that follow a roughly 24-hour cycle. Previous studies have shown large inter and intra individual differences in HRV which has lead to difficulties in establishing standard norms. Therefore the aim of our study is to establish a brief protocol for HRV analysis where we will be able to extract features in shorter duration of recording, representative of 24 hour fluctuations in HRV. In this paper we have studied different linear as well as non-linear techniques to analyze circadian HRV. 24 hour ECG recording of 15 subjects using Minimum Activity Protocol subjected for HRV analysis.

}, keywords = {Circadian Rhythm, Correlation Dimensions, DFA, ECG, HRV}, isbn = {978-1-4799-3080-7}, author = {Tajane, Kapil and Pitale, Rahul and Phadke, Leena and Joshi, Aniruddha and Umale, Jayant} } @article { ISI:000345455100014, title = {Towards efficient synthesis of sugar alcohols from mono- and poly-saccharides: role of metals, supports \& promoters}, journal = {Green Chemistry}, volume = {16}, number = {12}, year = {2014}, month = {AUG}, pages = {4944-4954}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{Biomass derived sugar alcohols (xylitol, arabitol) find numerous uses in the food, oral hygiene and pharmaceutical industries. Their direct synthesis from poly-saccharides, however, still remains an immense challenge. In this study, we demonstrate in detail the effects of metals, supports and promoters in enhancing the yields of sugar alcohols from mono- and poly-saccharides. We undertook synthesis of bimetallic catalysts, M-M{\textquoteright}/S (M

}, issn = {1463-9262}, doi = {10.1039/c4gc01264j}, author = {Tathod, Anup P. and Dhepe, Paresh Laxmikant} } @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: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 { 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 { ISI:000363168200012, title = {Assessing the effect of different shapes of glyco-gold nanoparticles on bacterial adhesion and infections}, journal = {Chemical Communications}, volume = {51}, number = {86}, year = {2015}, month = {AUG}, pages = {15669-15672}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Achieving selective and sensitive carbohydrate-protein interactions (CPIs) using nanotechnology is an intriguing area of research. Here we demonstrate that the different shapes of gold nanoparticles (AuNPs) functionalized with monosaccharides tune the bacterial aggregations. The mechanism of aggregation revealed that the large number of surface interactions of rod shaped mannose-AuNPs with E. coli ORN 178 compared with spherical and star-shaped AuNPs exhibited higher avidity and sensitivity. Moreover, such sensitive binding can be used for effective inhibition of bacterial infection of cells.

}, issn = {1359-7345}, doi = {10.1039/c5cc05238f}, author = {Chaudhary, Preeti Madhukar and Sangabathuni, Sivakoti and Murthy, Raghavendra Vasudeva and Paul, Ajay and Thulasiram, Hirekodathakallu V. and Kikkeri, Raghavendra} } @article {43029, title = {Association between serum albumin and glycated hemoglobin in Asian Indian subjects}, journal = {Indian Journal of Endocrinology and Metabolism}, volume = {19}, year = {2015}, month = {JAN}, abstract = {

Protein glycation plays a significant role in diabetic complications. Glycated hemoglobin (HbA1c) is a known predictor of diabetes and its complications. Albumin, found to be profoundly glycated in diabetes, and its level could regulate plasma protein as well as hemoglobin glycation. We aimed to evaluate the association between variations in albumin level with HbA1c in the Asian Indian population. We screened data of 929 subjects who have had a simultaneous measurement of fasting plasma glucose (FPG), HbA1c and albumin levels via the same blood collection. Data were analyzed by SPSS for 610 subjects who met the study criteria. There was a significant negative correlation between HbA1c and albumin concentration (r = -0.284; P \< 0.001). Univariate analysis showed the statistically significant decrease of average HbA1c but not for fasting plasma glucose (FPG) across increasing tertiles of albumin. Stepwise multiple regression model showed a significant correlation between HbA1c and serum albumin (P \< 0.05), FPG (P \< 0.001), hemoglobin (Hb) (P \< 0.001) and serum globulin (P \< 0.05). FPG was the strongest predictor (63.4\%) of variation of HbA1c. The albumin concentration (r = -0.114) accounted for 0.3\% (P \< 0.05) of the total variance in HbA1c independent of age, body mass index, FPG, Hb, creatinine, total protein and globulin. It was also observed that HbA1c decreases with increasing albumin concentration in those having FPG between 100 to \<126 mg/dl. Serum albumin negatively correlates with HbA1c in Asian Indians independent of other variables. This study suggests that predicting diabetes and its complication based on the HbA1c needs to be further investigated in Indian subjects.

}, doi = {10.4103/2230-8210.144631}, author = {Tiwari, Shalbha and Botahle, Manish and Hasan, Imtiaz and Kulkarni, Mahesh J. and Sayyad, Mehmood G. and Basu, Rita and Basu, Ananda and Unnikrishnan A. G.} } @article { ISI:000348987700061, title = {Biomass derived beta-cyclodextrin-SO3H as a solid acid catalyst for esterification of carboxylic acids with alcohols}, journal = {RSC Advances}, volume = {5}, number = {17}, year = {2015}, month = {JAN}, pages = {12981-12986}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel beta-cyclodextrin-SO3H carbon based solid acid catalyst was prepared in a convenient and ecofriendly manner and was characterized using FTIR, PXRD, EDAX and NH3TPD to illustrate that the carbon material has been functionalized with -SO3H, -COOH and -OH groups. The catalyst was studied for esterification of various carboxylic acids and alcohols under solvent free conditions and showed excellent catalytic performance and gave good yields of esters in the range 78-99\% at 70 degrees C. No solvent was used either for catalyst preparation nor for esterification reaction. The catalyst can be easily recovered by simple filtration and reused for subsequent three runs without any significant impact on yields of products. The main advantage of this methodology is easy and ecofriendly catalyst preparation, easy catalyst separation, practical simplicity, safe reaction conditions, recyclable catalyst and high product yields.

}, issn = {2046-2069}, doi = {10.1039/c4ra16699j}, author = {Thombal, Raju S. and Jadhav, Amol R. and Jadhav, Vrushali H.} } @article { ISI:000367464000006, title = {c Squalene synthase gene from medicinal herb bacopa monniera: molecular characterization, differential expression, comparative modeling, and docking studies}, journal = {Plant Molecular Biology Reporter}, volume = {33}, number = {6}, year = {2015}, month = {DEC}, pages = {1675-1685}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The widespread pharmaceutically important triterpenoid saponins are synthesized via isoprenoid pathway. The formation of squalene is the key regulatory point in triterpene biosynthesis, catalyzed by squalene synthase (SQS). The present study deals with the detailed characterization of SQS by molecular, biochemical, and computational means from Bacopa monniera, an immensely important medicinal plant rich in triterpenoid saponin, bacosides. A full-length SQS gene was isolated from B. monniera, characterized as B. monniera squalene synthase (BmSQS) (1242 bp) encoding 414 amino acids. Deduced amino acid sequence of BmSQS showed highly conserved consensus aspartate-rich motifs (DXXXD) and catalytic site residues. Phylogenetic analysis showed that BmSQS belongs to dicot group having closest relationship with Salvia miltiorrhiza. Semiquantitative and real-time PCR studies showed that the BmSQS messenger RNA (mRNA) expression level was higher in vegetative parts (roots) as compared to floral parts. Methyl jasmonate induces the BmSQS mRNA expression in all tissues tested, while salicylic acid, cold, and salt induce much higher expression in roots. Homology modeling and docking simulations of BmSQS showed the pivotal roles of Asp77, Asp81, Asp213, Asp217, and Tyr168 in catalysis.

}, keywords = {Abiotic stress, Bacopa monniera, Comparative modeling and docking, Differential expression, Isoprenoid pathway, Squalene synthase}, issn = {0735-9640}, doi = {10.1007/s11105-015-0864-z}, author = {Vishwakarma, Rishi K. and Patel, Krunal and Sonawane, Prashant and Kumari, Uma and Singh, Somesh and Ruby and Shakeel Abbassi and Agrawal, Dinesh C. and Tsay, Hsin-Sheng and Khan, Bashir Mohammad} } @article { ISI: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: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:000348833400001, title = {Characterization of 10-hydroxygeraniol dehydrogenase from catharanthus roseus reveals cascaded enzymatic activity in iridoid biosynthesis}, journal = {Scientific Reports}, volume = {5}, year = {2015}, month = {FEB}, pages = {Article Number: 8258}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Catharanthus roseus [L.] is a major source of the monoterpene indole alkaloids (MIAs), which are of significant interest due to their therapeutic value. These molecules are formed through an intermediate, cis-trans-nepetalactol, a cyclized product of 10-oxogeranial. One of the key enzymes involved in the biosynthesis of MIAs is an NAD(P)(+) dependent oxidoreductase system, 10-hydroxygeraniol dehydrogenase (Cr10HGO), which catalyses the formation of 10-oxogeranial from 10-hydroxygeraniol via 10-oxogeraniol or 10-hydroxygeranial. This work describes the cloning and functional characterization of Cr10HGO from C. roseus and its role in the iridoid biosynthesis. Substrate specificity studies indicated that, Cr10HGO has good activity on substrates such as 10-hydroxygeraniol, 10-oxogeraniol or 10-hydroxygeranial over monohydroxy linear terpene derivatives. Further it was observed that incubation of 10-hydroxygeraniol with Cr10HGO and iridoid synthase (CrIDS) in the presence of NADP(+) yielded a major metabolite, which was characterized as (1R, 4aS, 7S, 7aR)-nepetalactol by comparing its retention time, mass fragmentation pattern, and co-injection studies with that of the synthesized compound. These results indicate that there is concerted activity of Cr10HGO with iridoid synthase in the formation of (1R, 4aS, 7S, 7aR)-nepetalactol, an important intermediate in iridoid biosynthesis.

}, issn = {2045-2322}, doi = {10.1038/srep08258}, author = {Krithika, Ramakrishnan and Srivastava, Prabhakar Lal and Rani, Bajaj and Kolet, Swati P. and Chopade, Manojkumar and Soniya, Mantri and Thulasiram, Hirekodathakallu V.} } @article {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:000360934800005, title = {Chemoinformatics approach for building molecular networks from marine organisms}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {7}, year = {2015}, month = {JAN}, pages = {673-684}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Natural products obtained from marine sources are considered to be a rich and diverse source of potential drugs. In the present work we demonstrate the use of chemoinformatics approach for the design of new molecules inspired by molecules from marine organisms. Accordingly we have assimilated information from two major scientific domains namely chemoinformatics and biodiversity informatics to develop an interactive marine database named MIMMO (Medicinally Important Molecules from Marine Organisms). The database can be queried for species, molecules, scaffolds, drugs, diseases and associated cumulative biological activity spectrum along with links to the literature resources. Molecular informatics analysis of the molecules obtained from MIMMO was performed to study their chemical space. The distinct skeletal features of the biologically active compounds isolated from marine species were identified. Scaffold molecules and species networks were created to identify common scaffolds from marine source and drug space. An analysis of the entire molecular data revealed a unique list of around 2000 molecules from which ten most frequently occurring distinct scaffolds were obtained.

}, keywords = {Chemoinformatics, Drug design, marine, virtual library}, issn = {1386-2073}, doi = {10.2174/1386207318666150703112950}, author = {Karthikeyan, Muthukumarasamy and Nimje, Deepika and Pahujani, Rakhi and Tyagi, Kushal and Bapat, Sanket and Vyas, Renu and Padmakumar, Krishna Pillai} } @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: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: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:000347249500015, title = {Deinococcus enclensis sp nov., isolated from a marine sediment sample}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {107}, number = {1}, year = {2015}, month = {JAN}, pages = {141-148}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A novel pale-pink coloured strain, designated NIO-1023(T), was isolated from a marine sediment sample from Chorao Island, Goa, India. The taxonomic position of strain NIO-1023(T) was investigated by using a polyphasic approach. The cells were observed to be Gram-stain positive, coccal shaped and non-spore forming. Phylogenetic analyses using the 16S rRNA gene sequence of the isolate indicated that the organism belongs to the genus Deinococcus. The strain NIO-1023(T) showed highest 16S rRNA gene sequence similarities with Deinococcus ficus (97.8 \%), whereas other Deinococcus species showed less than 95 \% sequence similarity. The DNA-DNA relatedness with respect to D. ficus CC-FR2-10(T) was 23.9 \%. Chemotaxonomic data revealed that strain NIO-1023(T) contains only menaquinone MK-8 as the respiratory quinone and a complex polar lipid profile consisting of different unidentified glycolipids and polar lipids, two unknown phospholipids and three unknown phosphoglycolipids. As in other deinococci, one of these phosphoglycolipids was predominant in the profile. The predominant fatty acids were identified as C-17:1 w8c, C-16:1 w6c/w7c, C-15:1 w6c and C-17:1 w9c. The genomic DNA G + C content of strain NIO-1023(T) was determined to be 67.2 mol\%. The biochemical and chemotaxonomic properties demonstrate that strain NIO-1023(T) represents a novel species, for which the name Deinococcus enclensis sp. nov. is proposed. The type strain is NIO-1023(T) (=DSM 25127(T) = NCIM 5456(T)).

}, keywords = {16S rRNA, Deinococcus, Marine sediments, Polyphasic}, issn = {0003-6072}, doi = {10.1007/s10482-014-0311-4}, author = {Thorat, Meghana N. and Mawlankar, Rahul R. and Sonalkar, Vidya V. and Ramana, V. Venkata and Joseph, Neeta and Shouche, Yogesh S. and Dastager, Syed Gulam} } @article { ISI:000362438300008, title = {Dinuclear salen cobalt complex incorporating Y(OTf)(3): enhanced enantioselectivity in the hydrolytic kinetic resolution of epoxides}, journal = {RSC Advances}, volume = {5}, number = {101}, year = {2015}, month = {SEP}, pages = {82699-82703}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The activation of inactive Jacobsen{\textquoteright}s chiral salen Co(II) (salen = N,N{\textquoteright}-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine) compound is attained by dinuclear chiral salen Co(III)-OTf complex formation with yttrium triflate. The yttrium metal not only displays a promoting effect on electron transfer, but also assists in forming two stereocentres of a Lewis acid complex with Co(III)-OTf. We found that the binuclear Co-complex significantly enhanced reactivity and enantioselectivity in the hydrolytic kinetic resolution of terminal epoxides compared to its analogous monomer and kinetic data are also consistent with these results.

}, issn = {2046-2069}, doi = {10.1039/c5ra12408e}, author = {Patel, Deepak and Kurrey, Ganesh Ram and Shinde, Sandip S. and Kumar, Pradeep and Kim, Geon-Joong and Thakur, Santosh Singh} } @article { ISI:000351970000002, title = {Dripping dynamics of newtonian liquids from a tilted nozzle}, journal = {European Journal of Mechanics B-Fluids}, volume = {51}, year = {2015}, month = {MAY-JUN}, pages = {8-15}, publisher = {GAUTHIER-VILLARS/EDITIONS ELSEVIER}, address = {23 RUE LINOIS, 75015 PARIS, FRANCE}, abstract = {

The dripping dynamics of Newtonian liquids emanating from an inclined nozzle is studied. The fluid viscosity mu flow rate Q, nozzle radius R, and inclination angle theta have been varied independently. The drop breakup times and the different modes of dripping have been identified using high speed imaging. A phase diagram showing the transition between the dripping modes for different theta is constructed in the (We, Ka) space, where We (Weber number) measures the relative importance of inertia to surface tension force and Ka (Kapitza number) measures the relative importance of viscous to surface tension forces. At low values of We and Ka, the system shows a transition from period-1 to limit cycle before chaos. The limit cycle region narrows down with increase in inclination. Further increase in the values of We and Ka gives a direct transition from period-1 to chaos. The new experiments reveal that in the period-1 region, increasing the nozzle inclination angle theta results in lowering of the drop breakup time t(b), suggesting that the surface tension forces cannot hold the drops longer despite the weakened effective gravitational pull. This counter-intuitive finding is further corroborated by pendant drop experiments and computations. More curiously, throughout the period-1 regime, the drop volume is independent of the flow rate. This resulted in a relatively simple correlation for the dimensionless drop volume V = 1.3G(-1)Ka(0.02)(cos theta)(0.37) accurate to within 10\% over wide ranges of the independent variables. (C) 2014 Elsevier Masson SAS. All rights reserved.

}, keywords = {Asymmetric dripping, Breakup time, Drop volume, Inclined nozzle, Phase diagram}, issn = {0997-7546}, doi = {10.1016/j.euromechflu.2014.12.004}, author = {Taur, Amaraja and Doshi, Pankaj and Yeoh, Hak Koon} } @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:000352546100012, title = {Efficient access to enantiopure 1,3-disubstituted isoindolines from selective catalytic fragmentation of an original desymmetrized rigid overbred template}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {15}, year = {2015}, month = {MAR}, pages = {4438-4448}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An efficient and scalable synthesis of various enantiopure 1,3-disubstituted isoindolines is reported. The base catalyzed nucleophilic fragmentation of a rigid overbred template is established with various substrates to afford the corresponding 1,3-disubstituted isoindoline ester, amide, thioate, 1,3-amino alcohol and isoindolylcarboxylic acid. The crucial rigid overbred template is synthesized in an optically pure form in multigram scale by asymmetric desymmetrization of the corresponding meso compound.

}, issn = {1477-0520}, doi = {10.1039/c5ob00229j}, author = {Pandey, Ganesh and Varkhedkar, Rajesh and Tiwari, Divya} } @article { ISI:000347150700005, title = {Efficient method for the conversion of agricultural waste into sugar alcohols over supported bimetallic catalysts}, journal = {Bioresource Technology}, volume = {178}, year = {2015}, month = {FEB}, pages = {36-44}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Promoter effect of Sn in the PtSn/gamma-Al2O3 (AL) and PtSn/C bimetallic catalysts is studied for the conversion of variety of substrates such as, C5 sugars (xylose, arabinose), C6 sugars (glucose, fructose, galactose), hemicelluloses (xylan, arabinogalactan), inulin and agricultural wastes (bagasse, rice husk, wheat straw) into sugar alcohols (sorbitol, mannitol, xylitol, arabitol, galactitol). In all the reactions, PtSn/AL showed enhanced yields of sugar alcohols by 1.5-3 times than Pt/AL. Compared to C, AL supported bimetallic catalysts showed prominent enhancement in the yields of sugar alcohols. Bimetallic catalysts characterized by X-ray diffraction study revealed the stability of catalyst and absence of alloy formation thereby indicating that Pt and Sn are present as individual particles in PtSn/AL. The TEM analysis also confirmed stability of the catalysts and XPS study disclosed formation of electron deficient Sn species which helps in polarizing carbonyl bond to achieve enhanced hydrogenation activity. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Agricultural waste, Bimetallic catalyst, Hydrogenation, Monosaccharides, Polysaccharides}, issn = {0960-8524}, doi = {10.1016/j.biortech.2014.10.036}, author = {Tathod, Anup P. and Dhepe, Paresh Laxmikant} } @article { ISI:000346405200060, title = {Efficient robust fluorite CeZrO4-delta oxide catalyst for the eco-benign synthesis of styrene}, journal = {RSC Advances}, volume = {5}, number = {5}, year = {2015}, month = {DEC}, pages = {3619-3626}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this work, we have reported CeO2, ZrO2, physically mixed (PH)-CeO2/ZrO2 and fluorite CeZrO4-delta oxides and their catalytic activities for the oxidative dehydrogenation (ODH) of ethyl benzene (EB) to styrene (ST) using molecular oxygen, air and carbon dioxide as oxidants. The catalysts were prepared by a gel-combustion method followed by calcination at 600 degrees C for 6 h and subjected to catalytic activity measurements. All the catalysts were characterized and studied by various physicochemical methods. The reaction parameters were varied systematically such as different catalysts, oxidants, temperatures, EB flow and oxidant flow. CeZrO4-delta accounted for a 47\% styrene yield for 72 h without any significant deactivation under optimized reaction conditions. A thorough analysis of the spent catalysts demonstrated the robustness of the catalyst for this reaction under different oxidants and reaction conditions. Pristine CeO2 deactivated easily and the activity decreased with time on stream of the reaction.

}, issn = {2046-2069}, doi = {10.1039/c4ra12355g}, author = {Periyasamy, Kaliyappan and Aswathy, Venugopalan T. and Kumar, Venugopal Ashok and Manikandan, Marimuthu and Shukla, Rakesh and Tyagi, Avesh K. and Raja, Thirumalaiswamy} } @article { ISI: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: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: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:000361075900038, title = {Exiguobacterium enclense sp nov., isolated from sediment}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {5}, year = {2015}, month = {MAY}, pages = {1611-1616}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A Gram-stain-positive bacterium, designated strain NIO-1109(T), was isolated from a marine sediment sample from Chorao Island, Goa, India. Phenotypic and chemotaxonomic characteristics and data from phylogenetic analysis based on 16S rRNA gene sequences indicated that strain NIO-1109(T) was related to the genus Exiguobacterium. Strain NIO-1109(T) exhibited \>98.0\% 16S rRNA gene sequence similarity with respect to Exiguobacterium indicum HHS 31(T) (99.5\%) and Exiguobacterium acetylicum NCIMB 9889(T) (99.1 \%); the type strains of other species showed \<98\% similarity. Levels of DNA DNA relatedness between strain NIO-1109(T) and E. acetylicum DSM 20416(T) and E indicum LMG 23471(T) were less than 70\% (33.0 +/- 2.0 and 37 +/- 32\%, respectively). Strain NIO-1109(T) also differed from these two closely related species in a number of phenotypic traits. Based on phenotypic, chemotaxonomic and phylogenetic data, strain NIO-1109(T) is considered to represent a novel species of the genus Exiguobacterium, for which the name Exiguobacterium enclense sp. nov. is proposed. The type strain is NIO-1109(T) (=NCIM 5457(T)= DSM 25128(T)=CCTCC AB 2011124(T)).

}, issn = {1466-5026}, doi = {10.1099/ijs.0.000149}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Sonalkar, Vidya V. and Thorat, Meghana N. and Mual, Poonam and Verma, Ashish and Krishnamurthi, Srinivasan and Tang, Shan-Kun and Li, Wen-Jun} } @article { ISI: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:000354445900067, title = {Facile synthesis of Ag nanowire-rGO composites and their promising field emission performance}, journal = {RSC Advances}, volume = {5}, number = {52}, year = {2015}, month = {APR}, pages = {41887-41893}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Crystalline, ultra long silver nanowires (Ag NWs), few-layered rGO (reduced graphene oxide) and their rGO-Ag NW nanocomposite have been synthesized using a polyol reflux technique under optimized experimental conditions. The field emission performance of the rGO-Ag NW nanocomposite, rGO and Ag NW emitters was investigated. The turn on field required to draw an emission current density of similar to 1 mA cm(-2) was found to be similar to 5.00, 3.92 and 2.40 V mu m(-1) for the Ag NW, rGO and rGO-Ag NW nanocomposite emitters, respectively. The combined contribution of the sharp edges of the thin graphene sheets and high aspect ratio of the Ag nanowires, and their synergetic effect in the rGO-Ag NW nanocomposite, are responsible for the enhanced field emission behavior. First-principles density functional calculations show that the enhanced field emission may also be due to the overlapping of the electronic structures of the Ag NWs and rGO nanosheets.

}, issn = {2046-2069}, doi = {10.1039/c5ra00308c}, author = {Samantara, Aneeya K. and Mishra, Dillip Kumar and Suryawanshi, Sachin R. and More, Mahendra A. and Thapa, Ranjit and Late, Dattatray J. and Jena, Bikash Kumar and Rout, Chandra Sekhar} } @article { ISI:000346733500087, title = {Field emission properties of spinel ZnCo2O4 microflowers}, journal = {RSC Advances}, volume = {5}, number = {7}, year = {2015}, month = {DEC}, pages = {5372-5378}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

ZnCo2O4 microflowers were synthesized by a simple low temperature hydrothermal route. A single three-dimensional microflower consists of hundreds of self-assembled petals, with a thickness of several nanometers. These microflowers have exceptionally thin edges with a few petal layers. The ZnCo2O4 microflowers appeared to be stable and good field emitters.

}, issn = {2046-2069}, doi = {10.1039/c4ra10246k}, author = {Ratha, Satyajit and Khare, Ruchita T. and More, Mahendra A. and Thapa, Ranjit and Late, Dattatray J. and Rout, Chandra Sekhar} } @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: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:000365462900005, title = {FRET-based probe for monitoring pH changes in lipid-dense region of Hct116 cells}, journal = {Organic Letters}, volume = {17}, number = {22}, year = {2015}, month = {NOV}, pages = {5532-5535}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A rhodamine conjugate (L) with a pseudo Stokes shift of 165 nm is used for probing changes in solution pH under physiological conditions. This reagent is found to be nontoxic, and the luminescence response could be used for imaging changes in endogenous pH induced by dexamethanose (DMT) in the endoplasmic reticulum.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b02568}, author = {Reddy, Upendar G. and Anila, H. A. and Ali, Firoj and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000355247900001, title = {Functional characterization of novel sesquiterpene synthases from Indian sandalwood, santalum album}, journal = {Scientific Reports}, volume = {5}, year = {2015}, month = {MAY}, pages = {Article Number: 10095}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Indian Sandalwood, Santalum album L. is highly valued for its fragrant heartwood oil and is dominated by a blend of sesquiterpenes. Sesquiterpenes are formed through cyclization of farnesyl diphosphate (FPP), catalyzed by metal dependent terpene cyclases. This report describes the cloning and functional characterization of five genes, which encode two sesquisabinene synthases (SaSQS1, SaSQS2), bisabolene synthase (SaBS), santalene synthase (SaSS) and farnesyl diphosphate synthase (SaFDS) using the transcriptome sequencing of S. album. Using Illumina next generation sequencing, 33.32 million high quality raw reads were generated, which were assembled into 84,094 unigenes with an average length of 494.17 bp. Based on the transcriptome sequencing, five sesquiterpene synthases SaFDS, SaSQS1, SaSQS2, SaBS and SaSS involved in the biosynthesis of FPP, sesquisabinene, beta-bisabolene and santalenes, respectively, were cloned and functionally characterized. Novel sesquiterpene synthases (SaSQS1 and SaSQS2) were characterized as isoforms of sesquisabinene synthase with varying kinetic parameters and expression levels. Furthermore, the feasibility of microbial production of sesquisabinene from both the unigenes, SaSQS1 and SaSQS2 in non-optimized bacterial cell for the preparative scale production of sesquisabinene has been demonstrated. These results may pave the way for in vivo production of sandalwood sesquiterpenes in genetically tractable heterologous systems.

}, issn = {2045-2322}, doi = {10.1038/srep10095}, author = {Srivastava, Prabhakar Lal and Daramwar, Pankaj P. and Krithika, Ramakrishnan and Pandreka, Avinash and Shankar, S. Shiva and Thulasiram, Hirekodathakallu V.} } @article { ISI:000365930300028, title = {Furosemide cocrystals with pyridines: an interesting case of color cocrystal polymorphism}, journal = {Crystal Growth \& Design}, volume = {15}, number = {12}, year = {2015}, month = {DEC}, pages = {5858-5872}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Furosemide (FS), a loop diuretic drug commonly used for the treatment of hypertension and edema, exhibited color cocrystal polymorphism with coformer 4,4{\textquoteright}-bipyridine (4BPY) in the stoichiometry 2:1, albeit both the API and the cocrystal former are colorless. Crystallization from ethanol, isopropanol, ethanol-water (v/v, 1/1) mixture, and acetonitrile yielded pale yellow (form II, thin needles) and orange (form 1II, blocks) cocrystals concomitantly. Needles appeared from solution within a day, while the blocks were obtained after 1-2 days from the same flask, indicating that yellow needles were formed faster and the orange blocks were perhaps formed under thermodynamic conditions. Form 1I cocrystals could also be produced from the variety of common solvents. Cocrystallization of FS with 2,2{\textquoteright}-bipyridine (2BPY) and 4-aminopyridine (4AP) gave colorless cocrystals 2 and 3, respectively, and did not exhibit polymorphism. The single-crystal X-ray structures, powder X-ray diffraction, photophysical characterization, differential scanning calorimetry, hot stage microscopy studies, and density functional theory (DFT) calculations provide insight into the structure property relationship. The common structural features observed in all of the structures is the formation of sandwich motifs comprising FS and pyridines through pi-stacking interactions. These motifs are linked differently through hydrogen bonding interactions in all three directions. The significant color difference between the two cocrystals dimorphs could be attributed to the different pi-stacking patterns and hydrogen bonding interactions between molecules of FS and 4BPY in their cocrystal structures. Investigation on the origin of the color difference using DFT calculations revealed the decrease in HOMO-LUMO gap for form 1II cocrystals (orange) compared to form 1I crystals (light yellow). The crystal-to-crystal thermal transformation of form 1I crystals to form 1II crystals of 1 suggests the role of pi-stacking assemblies in driving the self-assembly.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.5b01240}, author = {Sangtani, Ekta and Sahu, Sanjay Kumar and Thorat, Shridhar H. and Gawade, Rupesh L. and Jha, Kunal K. and Munshi, Parthapratim and Gonnade, Rajesh G.} } @article { ISI:000363184600027, title = {Gedunin and azadiradione: human pancreatic alpha-amylase inhibiting limonoids from neem (azadirachta indica) as anti-diabetic agents}, journal = {Plos One}, volume = {10}, number = {10}, year = {2015}, month = {OCT}, pages = {e0140113}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Human pancreatic alpha-amylase (HPA) inhibitors offer an effective strategy to lower postprandial hyperglycemia via control of starch breakdown. Limonoids from Azadirachta indica known for their therapeutic potential were screened for pancreatic alpha-amylase inhibition, a known anti-diabetic target. Studies were carried out to reveal their mode of action so as to justify their hypoglycemic potential. Of the nine limonoids isolated/semi-synthesized from A. indica and screened for alpha-amylase inhibition, azadiradione and exhibited potential inhibition with an IC50 value of 74.17 and 68.38 mu M, respectively against HPA under in vitro conditions. Further screening on AR42J alpha-amylase secretory cell line for cytotoxicity and bioactivity revealed that azadiradione and gedunin exhibited cytotoxicity with IC50 of 11.1 and 13.4 mu M. Maximal secreted alpha-amylase inhibition of 41.8\% and 53.4\% was seen at 3.5 and 3.3 mu M, respectively. Michaelis-Menten kinetics suggested a mixed mode of inhibition with maltopentaose (K-i 42.2, 18.6 mu M) and starch (K-i{\textquoteright} 75.8, 37.4 mu M) as substrate with a stiochiometry of 1: 1 for both azadiradione and gedunin, respectively. The molecular docking simulation indicated plausible p-alkyl and alkyl-alkyl interactions between the aromatic amino acids and inhibitors. Fluorescence and CD confirmed the involvement of tryptophan and tyrosine in ligand binding to HPA. Thermodynamic parameters suggested that binding is enthalpically and entropically driven with Delta G degrees of -21.25 kJ mol(-1) and -21.16 kJ mol(-1) for azadiradione and gedunin, respectively. Thus, the limonoids azadiradione and gedunin could bind and inactivate HPA (anti-diabetic target) and may prove to be lead drug candidates to reduce/control post-prandial hyperglycemia.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0140113}, author = {Ponnusamy, Sudha and Haldar, Saikat and Mulani, Fayaj A. and Smita S. Zinjarde and Thulasiram, Hirekodathakallu and RaviKumar, Ameeta} } @article { ISI:000365148500002, title = {Gelation landscape engineering using a multi-reaction supramolecular hydrogelator system}, journal = {Journal of the American Chemical Society}, volume = {137}, number = {45}, year = {2015}, month = {NOV}, pages = {14236-14239}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Simultaneous control of the kinetics and thermodynamics of two different types of covalent chemistry allows pathway selectivity in the formation of hydrogelating molecules from a complex reaction network. This can lead to a range of hydrogel materials with vastly different properties, starting from a set of simple starting compounds and reaction conditions. Chemical reaction between a trialdehyde and the tuberculosis drug isoniazid can form one, two, or three hydrazone connectivity products, meaning kinetic gelation pathways can be addressed. Simultaneously, thermodynamics control the formation of either a keto or an enol tautomer of the products, again resulting in vastly different materials. Overall, this shows that careful navigation of a reaction landscape using both kinetic and thermodynamic selectivity can be used to control material selection from a complex reaction network.

}, issn = {0002-7863}, doi = {10.1021/jacs.5b06988}, author = {Foster, Jamie S. and Zurek, Justyna M. and Almeida, Nuno M. S. and Hendriksen, Wouter E. and le Sage, Vincent A. A. and Lakshminarayanan, Vasudevan and Thompson, Amber L. and Banerjee, Rahul and Eelkema, Rienk and Mulvana, Helen and Paterson, Martin J. and van Esch, Jan H. and Lloyd, Gareth O.} } @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:000362083400021, title = {Heat transfer and mixing in flow through pinched pipe}, journal = {Canadian Journal of Chemical Engineering}, volume = {93}, number = {10}, year = {2015}, month = {OCT}, pages = {1860-1868}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

There is an increasing trend of using tubular reactors either with passive or active augmentation methods for process intensification. A new passive method with pinching of pipe{\textquoteright} is proposed and investigated for its performance. In the present work, initially, flow in a pinched pipe was studied experimentally and the same was reproduced numerically. The computational model was then used to investigate influences of key geometrical parameters of pinched pipe configuration on pressure drop, heat transfer, and mixing. The simulated results obtained with the pinched pipe were compared with a straight pipe, and with a commonly-used passive augmentation method (twisted tape inserts). The pinched pipe configuration offers better performance and more flexibility in manipulating heat transfer and mixing in intensified devices.

}, keywords = {computational fluid dynamics (CFD), heat transfer, mixing, pinched pipe, pressure drop}, issn = {0008-4034}, doi = {10.1002/cjce.22275}, author = {Hasabnis, Nilesh S. and Totlani, Kartik A. and Ranade, Vivek V.} } @article { ISI:000363666000023, title = {Highly emissive organic solids with remarkably broad color tunability based on N,C-chelate, four-coordinate organoborons}, journal = {Chemical Communications}, volume = {51}, number = {89}, year = {2015}, month = {SEP}, pages = {16115-16118}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Molecular fluorophores based on N,C-chelate, four-coordinate organo-borons exhibit tunable solid-state emission colors that cover the whole visible region from blue to red. The emission color can be tuned through the substituents on either quinolines or the boron center.

}, issn = {1359-7345}, doi = {10.1039/c5cc06351e}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh S. and Thorat, Shridhar and Maity, Arunava and Kulkarni, Prasad P. and Gonnade, Rajesh G. and Munshi, Parthapratim and Patil, Nitin T.} } @article { ISI:000354578900029, title = {High-throughput simulations of dimer and trimer assembly of membrane proteins. the DAFT approach}, journal = {Journal of Chemical Theory and Computation}, volume = {11}, number = {5}, year = {2015}, month = {MAY}, pages = {2278-2291}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Interactions between membrane proteins are of great biological significance and are consequently an important target for pharmacological intervention. Unfortunately, it is still difficult to obtain detailed views on such interactions, both experimentally, where the environment hampers atomic resolution investigation, and computationally, where the time and length scales are problematic. Coarse grain simulations have alleviated the later issue, but the slow movement through the bilayer, coupled to the long life times of nonoptimal dimers, still stands in the way of characterizing binding distributions. In this work, we present DAFT, a Docking Assay For Transmembrane components, developed to identify preferred binding orientations. The method builds on a program developed recently for generating custom membranes, called insane (INSert membrANE). The key feature of DAFT is the setup of starting structures, for which optimal periodic boundary conditions are devised. The purpose of DAFT is to perform a large number of simulations with different components, starting from unbiased noninteracting initial states, such that the simulations evolve collectively, in a manner reflecting the underlying energy landscape of interaction. The implementation and characteristic features of DAFT are explained, and the efficacy and relaxation properties of the method are explored for oligomerization of glycophorin A dimers, polyleucine dimers and trimers, MS1 trimers, and rhodopsin dimers. The results suggest that, for simple helices, such as GpA and polyleucine, in POPC/DOPC membranes series of 500 simulations of 500 ns each allow characterization of the helix dimer orientations and allow comparing associating and nonassociating components. However, the results also demonstrate that short simulations may suffer significantly from nonconvergence of the ensemble and that using too few simulations may obscure or distort features of the interaction distribution. For trimers, simulation times exceeding several microseconds appear needed, due to the increased complexity. Similarly, characterization of larger proteins, such as rhodopsin, takes longer time scales due to the slower diffusion and the increased complexity of binding interfaces. DAFT and its auxiliary programs have been made available from http://cgmartini.nl/, together with a working example.

}, issn = {1549-9618}, doi = {10.1021/ct5010092}, author = {Wassenaar, Tsjerk A. and Pluhackova, Kristyna and Moussatova, Anastassiia and Sengupta, Durba and Marrink, Siewert-Jan and Tieleman, D. Peter and Boeckmann, Rainer A.} } @article {43026, title = {Identification and computational analysis of gene regulatory elements}, journal = {Cold Spring Harbor Protocols}, volume = {1}, year = {2015}, month = {JAN}, abstract = {

Over the last two decades, advances in experimental and computational technologies have greatly facilitated genomic research. Next-generation sequencing technologies have made de novo sequencing of large genomes affordable, and powerful computational approaches have enabled accurate annotations of genomic DNA sequences. Charting functional regions in genomes must account for not only the coding sequences, but also noncoding RNAs, repetitive elements, chromatin states, epigenetic modifications, and gene regulatory elements. A mix of comparative genomics, high-throughput biological experiments, and machine learning approaches has played a major role in this truly global effort. Here we describe some of these approaches and provide an account of our current understanding of the complex landscape of the human genome. We also present overviews of different publicly available, large-scale experimental data sets and computational tools, which we hope will prove beneficial for researchers working with large and complex genomes. {\textcopyright} 2015 Cold Spring Harbor Laboratory Press.

}, doi = {10.1101/pdb.top083642}, author = {Taher, Leila and Narlikar, Leelavati and Ovcharenko, Ivan} } @proceedings {43399, title = {Influence of macromolecular architecture on necking in polymer extrusion film casting process}, volume = {1664}, year = {2015}, month = {JUN}, pages = {Article Number: 080006}, publisher = {American Institute of Physics, 2 Huntington Quadrangle, STE 1No1, Melville, NY 11747-4501 USA}, address = {Cleveland, OH}, abstract = {

Extrusion film casting (EFC) is an important polymer processing technique that is used to produce several thousand tons of polymer films/coatings on an industrial scale. In this research, we are interested in understanding quantitatively how macromolecular chain architecture (for example long chain branching (LCB) or molecular weight distribution (MWD or PDI)) influences the necking and thickness distribution of extrusion cast films. We have used different polymer resins of linear and branched molecular architecture to produce extrusion cast films under controlled experimental conditions. The necking profiles of the films were imaged and the velocity profiles during EFC were monitored using particle tracking velocimetry (PTV) technique. Additionally, the temperature profiles were captured using an IR thermography and thickness profiles were calculated. The experimental results are compared with predictions of one-dimensional flow model of Silagy et al(1) wherein the polymer resin rheology is modeled using molecular constitutive equations such as the Rolie-Poly (RP) and extended Pom Pom (XPP). We demonstrate that the 1-D flow model containing the molecular constitutive equations provides new insights into the role of macromolecular chain architecture on film necking. D-1. Silagy, Y. Demay, and J-F. Agassant, Polym. Eng. Sci., 36, 2614 (1996).

}, doi = {10.1063/1.4918462}, author = {Pol, Harshawardhan V. and Banik, Sourya and Azad, Lal Busher and Thete, Sumeet and Doshi, Pankaj and Lele, Ashish} } @article { ISI:000353901700002, title = {Insect trehalase: physiological significance and potential applications}, journal = {Glycobiology}, volume = {25}, number = {4}, year = {2015}, month = {APR}, pages = {357-367}, publisher = {OXFORD UNIV PRESS INC}, address = {JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA}, abstract = {

Trehalose, a non-reducing disaccharide, is widespread throughout the biological world. It is the major blood sugar in insects playing a crucial role as an instant source of energy and in dealing with abiotic stresses. The hydrolysis of trehalose is under the enzymatic control of trehalase. The enzyme trehalase is gaining interest in insect physiology as it regulates energy metabolism and glucose generation via trehalose catabolism. The two forms of insect trehalase namely, Tre-1 and Tre-2, are important in energy supply, growth, metamorphosis, stress recovery, chitin synthesis and insect flight. Insect trehalase has not been reviewed in depth and the information available is quite scattered. The present mini review discusses our recent understanding of the regulation, mechanism and biochemical characterization of insect trehalase with respect to its physiological role in vital life functions. We also highlight the molecular and biochemical properties of insect trehalase that makes it amenable to competitive inhibition by most glycosidase inhibitors. Due to its crucial role in carbon metabolism in insects, application of inhibitors against trehalose can form a promising area towards formulating strategies for insect pest control.

}, keywords = {carbohydrate metabolism, glycosidase inhibitor, glycoside hydrolase, trehalase, trehalose}, issn = {0959-6658}, doi = {10.1093/glycob/cwu125}, author = {Shukla, Ekta and Thorat, Leena J. and Nath, Bimalendu B. and Gaikwad, Sushama M.} } @article { ISI:000361190200026, title = {Intramolecular cyclization of carbonate and thiocarbonate derivatives of myo-inositol in the solid state: implications for acyl group transfer reactions in molecular crystals}, journal = {Chemistry-A European Journal}, volume = {21}, number = {39}, year = {2015}, month = {SEP}, pages = {13676-13682}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Racemic 4-O-phenoxycarbonyl and 4-O-phenoxythiocarbonyl derivatives of myo-inositol orthoformate undergo thermal intramolecular cyclization in the solid state to yield the corresponding 4,6-bridged carbonates and thiocarbonates, respectively. The thermal cyclization also occurs in the solution and molten states, but less efficiently, suggesting that these cyclization reactions are aided by molecular pre-organization, although not strictly topochemically controlled. Crystal structures of two carbonates and a thiocarbonate clearly revealed that the relative orientation of the electrophile and the nucleophile in the crystal lattice facilitates the intramolecular cyclization reaction and forbids the intermolecular reaction. The correlation observed between the chemical reactivity and the non-covalent interactions in the crystal of the reactants provides a way to estimate the chemical stability of analogous molecules in the solid state.

}, keywords = {crystal engineering, cyclitols, inositols, nucleophilic substitution, solid-phase synthesis}, issn = {0947-6539}, doi = {10.1002/chem.201501480}, author = {Tamboli, Majid I. and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Krishnaswamy, Shobhana} } @article { ISI:000351354000028, title = {Investigation of antiglycation activity of isoprenaline}, journal = {RSC Advances}, volume = {5}, number = {32}, year = {2015}, month = {MAR}, pages = {25051-25058}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Advanced glycation end products (AGEs) are implicated in pathogenesis of diabetes and its complications. In this study, we report the ability of isoprenaline to inhibit the AGE modification of protein by fluorescence spectroscopy and western blotting. Isoprenaline was more effective in inhibiting AGE modification than aminoguanidine, a well known glycation inhibitor. Further, we show that isoprenaline inhibits at Amadori product formation during glycation reaction by various techniques such as MALDI-TOF-MS, LC-MS/MS, and fructosamine assay. Mass spectrometric analysis of the glycation reaction mixture incubated with isoprenaline suggested that it forms adducts with glucose and thus inhibits glycation. The finding of the additional property of isoprenaline of inhibiting glycation suggests that it is a potential candidate for drug repositioning for the treatment of diabetes and its complications, as it is an FDA approved drug.

}, issn = {2046-2069}, doi = {10.1039/c5ra01723h}, author = {Kolekar, Yogesh M. and Vannuruswamy, Garikapati and Bansode, Sneha B. and Santhakumari, B. and Thulasiram, Hirekodathakallu V. and Kulkarni, Mahesh J.} } @article { ISI:000357723600001, title = {Isolation, characterization and antifungal docking studies of wortmannin isolated from penicillium radicum}, journal = {Scientific Reports}, volume = {5}, year = {2015}, month = {JUL}, pages = {Article Number: 11948}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

During the search for a potent antifungal drug, a cell-permeable metabolite was isolated from a soil isolate taxonomically identified as Penicillium radicum. The strain was found to be a potent antifungal agent. Production conditions of the active compound were optimized and the active compound was isolated, purified, characterized and identified as a phosphoinositide 3-kinase (PI3K) inhibitor, commonly known as wortmannin (Wtmn). This is very first time we are reporting the production of Wtmn from P. radicum. In addition to its previously discovered anticancer properties, the broad spectrum antifungal property of Wtmn was re-confirmed using various fungal strains. Virtual screening was performed through molecular docking studies against potential antifungal targets, and it was found that Wtmn was predicted to impede the actions of these targets more efficiently than known antifungal compounds such as voriconazole and nikkomycin i.e. 1) mevalonate-5-diphosphate decarboxylase (1FI4), responsible for sterol/isoprenoid biosynthesis; 2) exocyst complex component SEC3 (3A58) where Rho-and phosphoinositide-dependent localization is present and 3) Kre2p/Mnt1p a Golgi alpha1,2-mannosyltransferase (1S4N) involved in the biosynthesis of yeast cell wall glycoproteins). We conclude that Wtmn produced from P. radicum is a promising lead compound which could be potentially used as an efficient antifungal drug in the near future after appropriate structural modifications to reduce toxicity and improve stability.

}, issn = {2045-2322}, doi = {10.1038/srep11948}, author = {Singh, Vineeta and Praveen, Vandana and Tripathi, Divya and Haque, Shafiul and Somvanshi, Pallavi and Katti, S. B. and Tripathi, C. K. M.} } @article { ISI:000362849600271, title = {Landscapes of membrane protein interactions from high-throughput MD simulations using the daft approach}, journal = {Biophysical Journal}, volume = {108}, number = {2, 1}, year = {2015}, note = {59th Annual Meeting of the Biophysical-Society, Baltimore, MD, FEB 07-11, 2015}, month = {JAN}, pages = {526A-526A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Wassenaar, Tsjerk A. and Pluhackova, Kristyna and Moussatova, Anastassiia and Sengupta, Durba and Marrink, Siewert-Jan and Tieleman, D. Peter and Boeckmann, Rainer A.} } @article { ISI:000352630600044, title = {Ligand-promoted intramolecular dehydrogenative cross-coupling using a Cu catalyst: direct access to polycyclic heteroarenes}, journal = {Chemical Communications}, volume = {51}, number = {32}, year = {2015}, month = {MAR}, pages = {7065-7068}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A copper(II)-promoted intramolecular C-H coupling reaction between indole-2 and imidazole-2 moieties has been developed for polycyclic heteroarene synthesis. The method provides direct access to biheteroaryl incorporated polycyclic frameworks, which are of huge interest in the area of functional materials and drug-discovery.

}, issn = {1359-7345}, doi = {10.1039/c5cc01817j}, author = {Ray, Devalina and Manikandan, T. and Roy, Arup and Tripathi, Krishna N. and Singh, Ravi P.} } @article { ISI: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:000360873600007, title = {Microbacterium enclense sp nov., isolated from sediment sample}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {7}, year = {2015}, month = {JUL}, pages = {2064-2070}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A novel bacterium (strain NIO-1002(T)) belonging to the genus Microbacterium was isolated from a marine sediment sample in Chorao Island, Goa Province, India. Its morphology, physiology, biochemical features and 16S rRNA gene sequence were characterized. Cells of this strain were Gram-stain-positive, non-motile, non-spore-forming rods that formed yellow-pigmented colonies. It grew in 0-12 \% (w/v) NaCl and at 25-37 degrees C, with optimal growth at 30 degrees C. Phylogenetic analysis based on 16S rRNA gene sequences indicated that strain NIO-1002(T) is associated with members of the genus Microbacterium, with highest sequence similarity with Microbacterium hominis CIP 105731(T) (98.1\%) and Microbacterium testaceum KCTC 9103(T) (98.0 \%). Within the phylogenetic tree, this novel strain shared a branching point with M. hominis CIP 105731(T). The DNA G+C content was 66.5 mol\% and DNA DNA hybridization relatedness between NI-1002(T), M. hominis CIP 105731(T) and M. testaceum KCTC 9103(T) was 39.0 +/- 2.0 \% and 41.0 +/- 2.0 \%, respectively. The major fatty acids were ai-C-15:0, i-C-16:0 and al-C-17:0 and the diamino acid in the cell-wall peptidoglycan of NIO-1002(T) was lysine. Data obtained from DNA-DNA hybridization and chemotaxonomic phenotypic analysis support the conclusion that strain NIO-1002(T) represents a novel species within the genus Microbacterium. The name Microbacterium enclense sp. nov. is proposed, with NIO-1002(T) (=NCIM 5454(T)=DSM 25125(T)=CCTCC AB 2011120(T)) as the type strain.

}, issn = {1466-5026}, doi = {10.1099/ijs.0.000221}, author = {Mawlankar, Rahul R. and Mual, Poonam and Sonalkar, Vidya V. and Thorat, Meghana N. and Verma, Ashish and Srinivasan, Krishnamurthi and Dastager, Syed Gulam} } @article { ISI:000364830000010, title = {Molecular mechanism underlying recruitment and insertion of lipid-anchored LC3 protein into membranes}, journal = {Biophysical Journal}, volume = {109}, number = {10}, year = {2015}, month = {NOV}, pages = {2067-2078}, publisher = {CELL PRESS}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, abstract = {

Lipid modification of cytoplasmic proteins initiates membrane engagement that triggers diverse cellular processes. Despite the abundance of lipidated proteins in the human proteome, the key determinants underlying membrane recognition and insertion are poorly understood. Here, we define the course of spontaneous membrane insertion of LC3 protein modified with phosphatidylethanolamine using multiple coarse-grain simulations. The partitioning of the lipid anchor chains proceeds through a concerted process, with its two acyl chains inserting one after the other. Concurrently, a conformational rearrangement involving the alpha-helix III of LC3, especially in the three basic residues Lys(65), Arg(68), and Arg(69), ensures stable insertion of the phosphatidylethanolamine anchor into membranes. Mutational studies validate the crucial role of these residues, and further live-cell imaging analysis shows a substantial reduction in the formation of autophagic vesicles for the mutant proteins. Our study captures the process of water-favored LC3 protein recruitment to the membrane and thus opens, to our knowledge, new avenues to explore the cellular dynamics underlying vesicular trafficking.

}, issn = {0006-3495}, doi = {10.1016/j.bpj.2015.09.022}, author = {Thukral, Lipi and Sengupta, Durba and Ramkumar, Amrita and Murthy, Divya and Agrawal, Nikhil and Gokhale, Rajesh S.} } @conference {45949, title = {Molecular sieves and ultrasound-assisted synthesis of novel 1,3,4-oxadiazole-2-thiones derivatives as potential antifungal agents}, booktitle = {19TH INTERNATIONAL ELECTRONIC CONFERENCE ON SYNTHETIC ORGANIC CHEMISTRY}, year = {2015}, publisher = {MDPI; Univ Sanitiago Compostila; SES; Flow Chemistry; REGAL S; Molecules}, organization = {MDPI; Univ Sanitiago Compostila; SES; Flow Chemistry; REGAL S; Molecules}, address = {ST. ALBAN-ANLAGE 66, BASEL, CH-4052, SWITZERLAND}, abstract = {

In the category of microorganism, fungi are considered as the special class of microbes responsible for opportunistic pathogenic infections in humans species. Due to the side effects of commercially available antifungal drugs and the emergence of new drug resistant fungal species in the past few years, has forced the researchers to search for novel and efficient antifungal drug molecules. The 1,3,4-oxadiazoles scaffold is associated with diverse biological activities. The multipurpose use of the Mannich bases in pharmaceutical chemistry promote us to prepare a new series of 5-(4-(benzyloxy)substituted phenyl)-3-((phenyl amino)methyl)-1,3,4oxadiazole-2(3H)-thione as antifungal agents. Herein, we report molecular sieves and ultrasound assisted synthesis of novel series of Mannich bases of the 5-substituted 1,3,4-oxadiazole-2-thiones by amino methylation with paraformaldehyde and substituted primary / secondary amines and their evaluation for antifungal activity. The structures of the newly synthesized compounds were determined by IR, NMR and Mass spectral study. The synthesized compounds exhibited interesting moderate to excellent antifungal activity against Candida albicans (NCIM 3557), Candida albicans(NCIM3471), Candida glabrata(NCIM3237), Cryptococcus neoformans (NCIM 3542), Cryptococcus neoformans(NCIM 3378), Aspergillus fumigates(NCIM 902), Aspergillus niger(NCIM 628) using Flucanazole as a standard reference drug. The synthesised compounds 6d, 6f,6g, 6h and 6j exhibited promising antifungal activity as antifungal agents.

}, keywords = {1, 3, 4-oxadiazoles, Antifungal activity, Mannich reaction, Molecular sieves, Ultrasound -assisted}, doi = {10.3390/ecsoc-19-b008}, author = {Nikalje, Anna Pratima G. and Nimbalkar, Ms Urja D. and Tupe, Santosh and Vazquez, Julio A. Seijas and Tato, Maria Pilar Vazquez}, editor = {Seijas, JA and Tato, MPV and Lin, SK} } @article { ISI:000369637800040, title = {Myroides indicus sp nov., isolated from garden soil}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {11}, year = {2015}, month = {NOV}, pages = {4008-4012}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A novel aerobic, non-motile, rod-shaped, catalase-and oxidase-positive bacterial strain, designated UKS3(T), was isolated from garden soil, and subjected to polyphasic taxonomic analysis. Strain UKS3(T) formed whitish, viscous colonies on nutrient agar and was Gram-staining negative. Phylogenetic analysis, based on 16S rRNA gene sequence, showed that maximum pairwise similarity occurs with representatives of the genus Myroides. The most closely related species include Myroides marinus JS-08(T) (92.7 \% sequence similarity), Myroides phaeus MY15(T) (92.7 \%), Myroides odoratus DSM 2801(T) (91.5 \%) and Myroides odoratimimus CCUG 39352(T) (91.4 \%). Strain UKS3(T) contained menaquinone-6 (MK-6) as the major respiratory quinone and iso-C-15 : 0 (40.2 \%), anteiso-C-15 : 0 (9.4 \%) and iso-C-17 : 0 3-OH (8.5 \%) as major fatty acids. Phosphatidylethanolamine, phospholipids and three aminolipids were the major polar lipids. The DNA G + C content of strain UKS3(T) was 36.8 +/- 2.0 mol\%. On the basis of phenotypic, chemotaxonomic and molecular analysis, strain UKS3(T) represents a novel species of the genus Myroides, for which the name Myroides indicus sp. nov., is proposed. The type strain is UKS3(T) (= DSM 28213(T) = NCIM 5555(T)).

}, issn = {1466-5026}, doi = {10.1099/ijsem.0.000530}, author = {Ram, Hari and Kumar, Alok and Thomas, Lebin and Dastager, Syed Gulam and Mawlankar, Rahul R. and Singh, Ved Pal} } @article { ISI:000360658000003, title = {New imaging reagents for lipid dense regions in live cells and the nucleus in fixed MCF-7 cells}, journal = {Journal of Materials Chemistry B}, volume = {3}, number = {36}, year = {2015}, month = {AUG}, pages = {7177-7185}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2050-750X}, doi = {10.1039/c5tb01309g}, author = {Ramu, Vadde and Ali, Firoj and Taye, Nandaraj and Garai, Bikash and Alam, Aftab and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000349325400040, title = {New turn on Pd2+-specific fluorescence probe and its use as an imaging reagent for cellular uptake in Hct116 cells}, journal = {Chemical Communications}, volume = {51}, number = {17}, year = {2015}, month = {JAN}, pages = {3649-3652}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c4cc10171e}, author = {Reddy, Upendar G. and Ali, Firoj and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000360409800002, title = {Nonomuraea indica sp nov., novel actinomycetes isolated from lime-stone open pit mine, India}, journal = {Journal of Antibiotics}, volume = {68}, number = {8}, year = {2015}, month = {AUG}, pages = {491-495}, publisher = {JAPAN ANTIBIOTICS RESEARCH ASSOC}, address = {2 20 8 KAMIOSAKI SHINAGAWA KU, TOKYO, 141, JAPAN}, abstract = {

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

}, issn = {0021-8820}, doi = {10.1038/ja.2015.24}, author = {Quadri, Syed Raziuddin and Tian, Xin-Peng and Zhang, Jing and Li, Jie and Nie, Guo-Xing and Tang, Shu-Kun and Al Ruwaili, Jamal and Agsar, Dayanand and Li, Wen-Jun and Dastager, Syed Gulam} } @article { ISI: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} } @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:000358167700015, title = {Overexpression of squalene synthase in withania somnifera leads to enhanced withanolide biosynthesis}, journal = {Plant Cell Tissue and Organ Culture}, volume = {122}, number = {2}, year = {2015}, month = {AUG}, pages = {409-420}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Genetic engineering of secondary metabolic pathways is an emerging area of research for production and improvement of natural products in plant biotechnology. Here, we describe a systematic approach to manipulate a key regulatory step of isoprenoid biosynthetic pathway in Withania somnifera to study its effect on withanolide production. We generated T-0 W. somnifera plants overexpressing squalene synthase (WsSQS) by Agrobacterium tumefaciens mediated transformation, which were analyzed by Gus biochemical assay and PCR of hygromycin phosphotransferase (hptII) and WsSQS. qRT-PCR analyses of various transformed tissues indicated 2-5 fold increase in WsSQS transcripts in both T-0 and T-1 generations. The tissue specific protein expression studies revealed 2-3 fold increase in WsSQS, which was further confirmed by enzyme activity. These observations were corroborated with the 1.5-2 fold increase in total withanolide content of the transformed tissues. However, in leaf tissue, the levels of Withaferin A and Withanolide A increased significantly up to 4-4.5 fold. These findings demonstrate genetic engineering of isoprenoid pathway in W. somnifera resulting in enhanced production of withanolides, and also provide insights into such metabolic pathways for their manipulation to improve the pharmacological content of different medicinally important plants.

}, keywords = {Agrobacterium tumefaciens, Solanaceae, Squalene synthase, Withania somnifera, Withanolides}, issn = {0167-6857}, doi = {10.1007/s11240-015-0778-3}, author = {Patel, Neha and Patel, Parth and Kendurkar, Shuchishweta V. and Thulasiram, Hirekodathakallu V. and Khan, Bashir Mohammad} } @article { ISI:000349401200010, title = {Porous poly(ethylene glycol)-polyurethane hydrogels as potential biomaterials}, journal = {Polymer International}, volume = {64}, number = {3}, year = {2015}, month = {MAR}, pages = {397-404}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

We report the synthesis of porous poly(ethylene glycol)-polyurethane (PEG-PU) hydrogels using PEG-4000 as a soft segment and 4,4-methylenebis(cyclohexylisocyanate) as a hard segment. The degree of swelling in the hydrogels could be controlled by varying the amount of crosslinking agent, namely 1,2,6-hexanetriol. Structural characterization of the hydrogels was performed using solid-state C-13 NMR and Fourier transform infrared spectroscopy. Wide-angle X-ray diffraction studies revealed the existence of crystalline domains of PEG and small-angle X-ray scattering studies showed the presence of lamellar microstructures. For generating a porous structure in the hydrogels, cryogenic treatment with lyophilization was used. Scanning electron microscopy and three-dimensional micro-computed tomography imaging of the hydrogels indicated the presence of interconnected pores. The mechanical strength of the hydrogels and xerogels was measured using dynamic mechanical analysis. The observed dynamic storage moduli (E) for the equilibrium swollen and dry gels were found to be 0.15 and 4.2 MPa, respectively. Interestingly, the porous PEG-PU xerogel also showed E of 5.6 MPa indicating a similar mechanical strength upon incorporating porosity into the gel matrix. Finally, preliminary cytocompatibility studies showed the ability of cells to proliferate in the hydrogels. These gels show promise for applications as scaffolds and implants in tissue engineering. (c) 2014 Society of Chemical Industry

}, keywords = {hydrogels, permeability, poly(ethylene glycol), polyurethane, porosity}, issn = {0959-8103}, doi = {10.1002/pi.4802}, author = {Divakaran, Anumon V. and Torris, Arun A. T. and Lele, Ashish K. and Badiger, Manohar V.} } @article { ISI:000346339500005, title = {Possible mechanism of antifungal phenazine-1-carboxamide from pseudomonas sp against dimorphic fungi Benjaminiella poitrasii and human pathogen Candida albicans}, journal = {Journal of Applied Microbiology}, volume = {118}, number = {1}, year = {2015}, month = {JAN}, pages = {39-48}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

AimInvestigation of antifungal mechanism of phenazine 1-carboxamide (PC) produced by a Pseudomonas strain MCC2142. Methods and ResultsAn antifungal metabolite produced by a Pseudomonas was purified and identified as PC. Human pathogenic fungi such as Candida albicans, Candidaglabrata, Cryptococcus neoformans, Fusarium oxysporum, Aspergillus fumigatus and Aspergillus niger were found to be inhibited by PC (MIC90 32-64gml(-1)). Addition of PC (20gml(-1)) during yeast (Y)-hypha (H) transitions inhibited germ tube formation by \>90\% and \>99\% in C.albicans National Collection of Industrial Microorganisms (NCIM) 3471 and nonpathogenic model Benjaminiella poitrasii, respectively. After exposure to PC (20gml(-1)), 75-80\% yeast cells of B.poitrasii and C.albicans NCIM 3471 showed rhodamine 123 fluorescence indicating high intracellular reactive oxygen species (ROS) production. ROS further led to hyperpolarization of mitochondrial membrane, subsequently induction of apoptosis as evident by externalization of phosphatidylserine, DNA fragmentation, chromatin condensation and finally death in B.poitrasii. In C.albicans NCIM 3471, PC (20gml(-1)) induced apoptosis. ConclusionsThe antifungal effect of PC in B.poitrasii and C.albicans may be due to ROS-mediated apoptotic death. Significance and Impact of the StudyInhibition of Y-H transition of B.poitrasii and C.albicans by PC indicates that it may prove useful in the control of dimorphic human pathogens.

}, keywords = {Apoptosis, Candida albicans, dimorphism, phenazines, Pseudomonas sp, reactive oxygen species}, issn = {1364-5072}, doi = {10.1111/jam.12675}, author = {Tupe, S. G. and Kulkarni, R. R. and Shirazi, F. and Sant, D. G. and Joshi, Swati P. and Deshpande, Mukund V.} } @article { 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:000361402600005, title = {Preparation and characterization of flexible ferromagnetic nanocomposites for microwave applications}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {200}, year = {2015}, month = {OCT}, pages = {40-49}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Magnetic Fe3O4 nanoparticles (similar to 20 nm) were synthesized using the chemical co-precipitation method with a view of developing flexible and easily processable ferromagnetic materials with high mouldability to be used as microwave absorbers. The nanoparticles prepared were incorporated into natural rubber through latex stage processing. This novel processing method gives better dispersion of particles in the rubber matrix. The composites were characterized using XRD, SEM, vibrating sample magnetometer, dynamic mechanical analyzer, cavity perturbation, thermogravimetry (TGA), and Fourier transform infrared photoacoustic spectroscopy (FTIR-PAS). A notable improvement in the mechanical properties of composites was observed upon adding Fe3O4 particles. Magnetic and microwave characteristics of the composites indicate the formation of a flexible ferromagnetic material with good microwave absorption characteristics. (C) 2015 Published by Elsevier B.V.

}, keywords = {Fe3O4, Ferromagnetic, FTIR-PAS, Microwave absorption, Natural rubber, SEM, XRD}, issn = {0921-5107}, doi = {10.1016/j.mseb.2015.04.014}, author = {Thomas, Teena and Kanoth, Bipinbal P. and Nijas, C. M. and Joy, Pattayil Alias and Joseph, Joseph M. and Kuthirummal, Narayanan and Thachil, Eby T.} } @article { ISI:000367561500004, title = {p-type NiO hybrid visible photodetector}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {50}, year = {2015}, month = {DEC}, pages = {27597-27601}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A novel hybrid visible-light photodetector was created using a planar p-type inorganic NiO layer in a junction with an organic electron acceptor layer. The effect of different oxygen pressures on formation of the NiO layer by pulsed laser deposition shows that higher pressure increases the charge carrier density of the film and lowers the dark current in the device. The addition of a monolayer of small molecules containing conjugated pi systems and carboxyl groups at the device interface was also investigated and with correct alignment of the energy levels improves the device performance with respect to the quantum efficiency, responsivity, and photogeneration. The thickness of the Organic layer was also optimized for the device, giving a responsivity of 1.54 X 10(-2) A W-1 in 460 nm light.

}, keywords = {nickel oxide, organic, oxygen vacancies, photodetector, pulsed laser deposition, surface modifier}, issn = {1944-8244}, doi = {10.1021/acsami.5b09291}, author = {Mallows, John and Planells, Miguel and Thakare, Vishal and Bhosale, Reshma and Ogale, Satishchandra and Robertson, Neil} } @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:000362890300003, title = {Rational drug design, synthesis and biological evaluation of dihydrofolate reductase inhibitors as antituberculosis agents}, journal = {Future Medicinal Chemistry}, volume = {7}, number = {8}, year = {2015}, month = {JUN}, pages = {979-988}, publisher = {FUTURE SCI LTD}, address = {UNITED HOUSE, 2 ALBERT PL, LONDON, N3 1QB, ENGLAND}, abstract = {

Background: A series of 2,4-diamino-s-triazines was designed, with potential for activity against Mycobacterium tuberculosis (Mtb) dihydrofolate reductase enzyme, on the basis of virtual screening results and structure-based drug design. Results: The compounds were evaluated against Mtb (H(37)Rv) and their cytotoxicity was assessed using VERO cell lines. Of particular note, two compounds were found to have the most promising antituberculosis activity (6b minimum inhibitory concentration: 1.76 mu M and 6i minimum inhibitory concentration: 1.57 mu M) along with low cytotoxicity (CC50 : \> 300 mu M). The enzyme assay results of these two indicated significant inhibition of Mtb dihydrofolate reductase along with selectivity. Selected derivatives were tested against dormant tubercle bacilli in vivo and ex vivo indicating potential inhibition. Conclusion: This study provides promising antituberculosis dihydrofolate reductase inhibitors that can act as potential leads for further development.

}, issn = {1756-8919}, doi = {10.4155/FMC.15.48}, author = {Tawari, Nilesh R. and Bag, Seema and Raju, Archana and Lele, Arundhati C. and Bairwa, Ranjeet and Ray, Mukti Kanta and Rajan, M. G. R. and Nawale, Laxman U. and Sarkar, Dhiman and Degani, Mariam S.} } @article {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:000363167900028, title = {Reagent for specific recognition of cysteine in aqueous buffer and in natural milk: imaging studies, enzymatic reaction and analysis of whey protein}, journal = {Chemical Communications}, volume = {51}, number = {85}, year = {2015}, month = {AUG}, pages = {15592-15595}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a new chemodosimetric probe (L) for specific recognition of cysteine (Cys) in aqueous buffer and in whey protein isolated from fresh cow{\textquoteright}s milk. Using this reagent we could develop a luminescence-based methodology for estimation of Cys released from a commercially available Cys-supplement drug by aminoacylase-1 in live cells.

}, issn = {1359-7345}, doi = {10.1039/c5cc04876a}, author = {Anila, H. A. and Reddy, Upendar G. and Ali, Firoj and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @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:000350685400013, title = {Renewable fuels from biomass-derived compounds: Ru-containing hydrotalcites as catalysts for conversion of HMF to 2,5-dimethylfuran}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {3}, year = {2015}, month = {MAR}, pages = {1463-1472}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Production of transportation fuels from renewable biomass is hugely important considering the current ecological concerns over CO2 built up in the atmosphere. Ruthenium-containing hydrotalcite (HT) catalysts were applied for the selective hydrogenolysis of biomass-derived 5-hydroxymethylfurfural (HMF) to 2,5-dimethylfuran (DMF). Structural and morphological features of the catalysts were examined using various physico-chemical characterization techniques. The influence of various reaction parameters, such as reaction temperature, solvent, Ru content of the catalyst, etc., was investigated with respect to HMF conversion and DMF yield. The study clearly shows that well-dispersed Ru nanoparticles are highly active and selective in the conversion of HMF to DMF. A catalyst containing only 0.56 wt\% Ru converted 100 mol\% HMF to yield 58 mol\% DMF. This catalyst was found to be recyclable as the activity was retained even after five cycles of reaction. 2-Propanol was found to be a good solvent as it helped to improve DMF yield through transfer hydrogenation. Based on the results of the investigations, a reaction pathway for the conversion of HMF to DMF was proposed for the present Ru-based catalyst system.

}, issn = {2044-4753}, doi = {10.1039/c4cy01376j}, author = {Nagpure, Atul S. and Venugopal, Ashok Kumar and Lucas, Nishita and Manikandan, Marimuthu and Thirumalaiswamy, Raja and Chilukuri, Satyanarayana V.} } @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: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:000360934800003, title = {Role of chemical reactivity and transition state modeling for virtual screening}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {7}, year = {2015}, month = {JAN}, pages = {638-657}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Every drug discovery research program involves synthesis of a novel and potential drug molecule utilizing atom efficient, economical and environment friendly synthetic strategies. The current work focuses on the role of the reactivity based fingerprints of compounds as filters for virtual screening using a tool ChemScore. A reactant-like (RLS) and a product-like (PLS) score can be predicted for a given compound using the binary fingerprints derived from the numerous known organic reactions which capture the molecule-molecule interactions in the form of addition, substitution, rearrangement, elimination and isomerization reactions. The reaction fingerprints were applied to large databases in biology and chemistry, namely ChEMBL, KEGG, HMDB, DSSTox, and the Drug Bank database. A large network of 1113 synthetic reactions was constructed to visualize and ascertain the reactant product mappings in the chemical reaction space. The cumulative reaction fingerprints were computed for 4000 molecules belonging to 29 therapeutic classes of compounds, and these were found capable of discriminating between the cognition disorder related and anti-allergy compounds with reasonable accuracy of 75\% and AUC 0.8. In this study, the transition state based fingerprints were also developed and used effectively for virtual screening in drug related databases. The methodology presented here provides an efficient handle for the rapid scoring of molecular libraries for virtual screening.

}, keywords = {fingerprints, intermediates, metabolic pathways, product-like score, reactant-like score, reaction, screening, synthesis, virtual screening}, issn = {1386-2073}, doi = {10.2174/1386207318666150703113135}, author = {Karthikeyan, Muthukumarasamy and Vyas, Renu and Tambe, Sanjeev S. and Radhamohan, Deepthi and Kulkarni, Bhaskar D.} } @article { ISI:000368436000017, title = {Role of methyl jasmonate in the expression of mycorrhizal induced resistance against Fusarium oxysporum in tomato plants}, journal = {Physiological and Molecular Plant Pathology}, volume = {92}, year = {2015}, month = {OCT}, pages = {139-145}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

Arbuscular mycorrhiza (AM) colonization led to a decrease in the severity of fusarium wilt disease caused by Fusarium oxysporum f. sp. lycopersici in tomato plants. The involvement of two plant defense hormones, namely methyl jasmonate (MeJA) and salicylic acid (SA), in the expression of mycorrhiza induced resistance (MIR) against this vascular pathogen was studied in the AM colonized and non-colonized (controls) plants. Activity of lipoxygenase (LOX), which plays a role in jasmonic acid (JA) biosynthesis, as well as levels of methyl jasmonate (MeJA) increased in AM colonized plants as compared to controls, but did not show any further changes in response to F. oxysporum inoculation. On the other hand, activity of phenylalanine ammonia lyase (PAL), which is an enzyme from salicylic acid (SA) biosynthetic pathway, as well as SA levels, increased in both controls and AM colonized plants in response to application of F. oxysporum spores. Hence the JA and not the SA signalling pathway appeared to play a role in the expression of MIR against this vascular pathogen. The resistance observed in AM colonized plants was completely compromised when plants were treated with the JA biosynthesis inhibitor salicylhydroxamic acid (SHAM). This confirmed that the AM-induced increase in JA levels was involved in the expression of resistance toward F. oxysporum. The SA response gene pathogenesis-related 1 (PR1) showed an increased expression in response to F. oxysporum infection in SHAM treated AM colonized plants as compared to plants that were not treated with this JA inhibitor. This suggested the possibility that JA inhibited SA responses, at least in the roots. AM colonization therefore appeared to prime plants for improved tolerance against the vascular pathogen F. oxysporum, which was mediated through the JA signalling pathway. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Fusarium wilt, Glomus fasciculatum, Methyl jasmonate, Mycorrhiza induced resistance, Salicylic acid, Tomato}, issn = {0885-5765}, doi = {10.1016/j.pmpp.2015.10.002}, author = {Nair, Aswathy and Kolet, Swati P. and Thulasiram, Hirekodathakallu V. and Bhargava, Sujata} } @article { ISI:000359444500009, title = {Self-similar rupture of thin free films of power-law fluids}, journal = {Physical Review E}, volume = {92}, number = {2}, year = {2015}, month = {AUG}, pages = {023014}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

The rupture of a thin free film of a power-law fluid under the competing influences of destabilizing van der Waals pressure and stabilizing surface tension pressure is analyzed. In such a fluid, viscosity decreases with the deformation rate raised to the n - 1 power where 0 \< n \<= 1 (n = 1 for a Newtonian fluid). When 6/7 \< n \<= 1, film rupture occurs under a balance between van der Waals pressure, inertial stress, and viscous stress. When n \< 6/7, however, the dominant balance changes: Viscous stress becomes negligible and the film ruptures under the competition between van der Waals pressure, inertial stress, and surface tension pressure.

}, issn = {1539-3755}, doi = {10.1103/PhysRevE.92.023014}, author = {Thete, Sumeet Suresh and Anthony, Christopher and Basaran, Osman A. and Doshi, Pankaj} } @article { ISI:000364803200006, title = {Silicon incorporated morpholine antifungals: design, synthesis, and biological evaluation}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1111-1116}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Known morpholine class antifungals (fenpropimorph, fenpropidin, and amorolfine) were synthetically modified through silicon incorporation to have 15 sila-analogues. Twelve sila-analogues exhibited potent antifungal activity against different human fungal pathogens such as Candida albicans, Candida glabrata, Candida tropicalis, Cryptococcus neoformans, and Aspergillus niger. Si la-analogue 24 (fenpropimorph analogue) was the best in our hands, which showed superior fungicidal potential than fenpropidin, fenpropimorph, and amorolfine. The mode of action of sila-analogues was similar to morpholines, i.e., inhibition of sterol reductase and sterol isomerase enzymes of ergosterol synthesis pathway.

}, keywords = {Antifungal drugs, Candida albicans, ergosterol biosynthesis, morpholines, sila-analogues}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00245}, author = {Jachak, Gorakhnath R. and Ramesh, Remya and Sant, Duhita G. and Jorwekar, Shweta U. and Jadhav, Manjusha R. and Tupe, Santosh G. and Deshpande, Mukund V. and Reddy, D. Srinivasa} } @article { ISI:000346235600051, title = {Solvent-mediated molar conductivity of protic ionic liquids}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {1}, year = {2015}, month = {NOV}, pages = {475-482}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The molar conductivity, A(m), of protic ionic liquids (PILs) in molecular solvents is measured at 298.15 K. The decrease in the A(m) values of PILs is observed with an increase in the concentration of PILs. The limiting molar conductivities, A(m)(0), were obtained for each PIL in different molecular solvents using a least squares method. The A(m)(0) data for PILs were correlated with the structural aspects of PILs and solvent properties. The polar protic solvents show poor ionic association as compared to the polar aprotic solvents, which is discussed on the basis of the hydrogen bond donating (HBD) ability of solvents and PILs. The alkyl chain substitution of anions plays a significant role in the ionic association of the PILs. The diffusion coefficient D-0 and the transport number t were determined, which were consistent with the A(m)(0) values of PILs in water. The A(m)(0) and D-0 values are dependent on the hydrodynamic radius of anions of these ionic liquids. The extent of ionic association for each PIL was discussed using temperature dependent A(m) data for aqueous PIL systems in terms of the Walden plot.

}, issn = {1463-9076}, doi = {10.1039/c4cp04591b}, author = {Thawarkar, Sachin and Khupse, Nageshwar D. and Kumar, Anil} } @article { ISI: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:000363179900069, title = {Spin-coatable, photopatternable magnetic nanocomposite thin films for MEMS device applications}, journal = {RSC Advances}, volume = {5}, number = {104}, year = {2015}, month = {OCT}, pages = {85741-85747}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Magnetic nanomaterials{\textquoteright} (especially metals) air stability and compatibility with standard micro-fabrication technologies are often a concern for development of MEMS-based magnetic devices. In this paper, we report an air-stable, photo-patternable and spin-coatable magnetic thin film preparation process for MEMS applications. This magnetic nanocomposite thin film was prepared by incorporating carbon capped ferromagnetic cobalt nanoparticles of dimension 20-80 nm into the SU-8 matrix. TEM, XRD and EDAX analyses were done, to investigate the crystal structure, dispersion and phase stability of the films. The SQUID magnetometry and MFM measurements of the film confirmed its magnetic response at room temperature and the retention of its magnetic properties over a period of time. The material compatibility for MEMS device applications was demonstrated through fabrication of a suspended circular membrane of radius similar to 250 mu m, having four U-shaped beams, of dimension similar to 270 x 50 mu m each. Three conventional lithography steps and a sacrificial release layer of similar to 1 mm thick oxide was used for the fabrication. The membrane was characterized by evaluating its spring constant and resonant frequency. The spring constant and resonant frequencies were estimated to be similar to 4.2 N m(-1) and similar to 29 kHz respectively. Finally, we demonstrated the actuation of the magnetic membrane by an off-chip generated magnetic field, for its possible use as a MEMS device.

}, issn = {2046-2069}, doi = {10.1039/c5ra15706d}, author = {Kandpal, Manoj and Sharan, C. and Palaparthy, V. and Tiwary, N. and Poddar, P. and Rao, V. Ramgopal} } @article { ISI:000354067400001, title = {Stable field emission from layered MoS2 nanosheets in high vacuum and observation of 1/f noise}, journal = {Nanomaterials and Nanotechnology}, volume = {5}, year = {2015}, month = {APR}, pages = {10}, publisher = {INTECH EUROPE}, address = {JANEZA TRDINE 9, RIJEKA, 51000, CROATIA}, abstract = {

Field emission and current noise of hydrothermally synthesized MoS2 nanosheets are investigated in ultra-high-vacuum and industrially suited high-vacuum conditions. The study reveals that the emission turn-on field is pressure dependent. Moreover, the MoS2 nanosheets exhibit more stable field-electron emission in high-vacuum than in ultra-high-vacuum conditions. The investigations on field-emission current fluctuations show features of 1/f-type noise in ultra-high-vacuum and high-vacuum conditions, attributed to adsorption and desorption processes. The post-field-emission results indicate the MoS2 nanosheets are a robust field emitter in high-vacuum conditions.

}, keywords = {Electron emission, layered materials, MoS2, Noise measurement, Raman spectroscopy}, issn = {1847-9804}, doi = {10.5772/60071}, author = {Kashid, Ranjit V. and Joag, Pracheetee D. and Thripuranthaka, M. and Rout, Chandra S. and Late, Dattatray J. and More, Mahendra A.} } @article { ISI:000360934800004, title = {Study of applications of machine learning based classification methods for virtual screening of lead molecules}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {7}, year = {2015}, month = {AUG}, pages = {658-672}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

The ligand-based virtual screening of combinatorial libraries employs a number of statistical modeling and machine learning methods. A comprehensive analysis of the application of these methods for the diversity oriented virtual screening of biological targets/drug classes is presented here. A number of classification models have been built using three types of inputs namely structure based descriptors, molecular fingerprints and therapeutic category for performing virtual screening. The activity and affinity descriptors of a set of inhibitors of four target classes DHFR, COX, LOX and NMDA have been utilized to train a total of six classifiers viz. Artificial Neural Network (ANN), k nearest neighbor (k-NN), Support Vector Machine (SVM), Naive Bayes (NB), Decision Tree - (DT) and Random Forest - (RF). Among these classifiers, the ANN was found as the best classifier with an AUC of 0.9 irrespective of the target. New molecular fingerprints based on pharmacophore, toxicophore and chemophore (PTC), were used to build the ANN models for each dataset. A good accuracy of 87.27\% was obtained using 296 chemophoric binary fingerprints for the COX-LOX inhibitors compared to pharmacophoric (67.82 \%) and toxicophoric (70.64 \%). The methodology was validated on the classical Ames mutagenecity dataset of 4337 molecules. To evaluate it further, selectivity and promiscuity of molecules from five drug classes viz. anti-anginal, anti-convulsant, anti-depressant, anti-arrhythmic and anti-diabetic were studied. The TPC fingerprints computed for each category were able to capture the drug-class specific features using the k-NN classifier. These models can be useful for selecting optimal molecules for drug design.

}, keywords = {Anti-anginal, anti-arrythmic, anti-bacterial, anti-convulsant, anti-depressant anti-diabetic, binary QSAR, chemophore, machine learning, pharmacophore, toxicophore}, issn = {1386-2073}, doi = {10.2174/1386207318666150703112447}, author = {Vyas, Renu and Bapat, Sanket and Jain, Esha and Tambe, Sanjeev S. and Karthikeyan, Muthukumarasamy and Kulkarni, Bhaskar D.} } @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:000358338300003, title = {Synthesis and antifungal potential of 1,2,3-triazole and 1,2,4-triazole thiol substituted strobilurin derivatives}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {54}, number = {7}, year = {2015}, month = {JUL}, pages = {908-917}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

beta-Methoxyacrylate group is an important pharmacophore of commercially used strobilurin fungicides. In the present study, a total of seventeen 1,2,4-triazole thiols 8a-h and 1,2,3-triazole substituted 10a-i strobilurin derivatives have been synthesized. 1,2,4-Triazole thiol substituted strobilurin derivatives 8a-h have been found to inhibit the growth of plant pathogens such as Fusarium oxysporum, Magnaporthe grisea, Drechslera oryzae and human pathogens Aspergillus fumigatus and different strains of Cryptococcus neoformans, with MIC in the range of 16-256 mu g/mL. In case of Candida albicans tested strain, the MIC is \> 256 mu g/mL. p-Chlorophenyl substituted 1,2,4-triazole thiol strobiulrin derivative 8e is the most potent inhibitor with MIC of 16-64 mu g/mL against most of the tested pathogens. Antifungal action of the compounds is due to inhibition of mitochondrial respiration. In the resazurin reduction assay, EC50 for inhibition of RZ reduction in D. oryzae by azoxystrobin and 8e are 3.42 +/- 0.03 mu g/mL and 3.63 +/- 0.21 mu g/mL, respectively; while in case of C. neoformans, EC50,, of azoxystrobin and 8e are between 0.65-0.85 mu g/mL. In a non-pathogenic model Benjaminiella poitrasii, though the MIC for all the synthesized compounds 8a-h and 10a-i are \> 256 mu g/ml, yeast to hypha transition is inhibited in the range of 21-75\% at 4 mu g/mL concentration while EC50 for inhibition of RZ reduction by azoxystrobin and 8e are 31.5 +/- 0.4 mu g/mL and 17.95 +/- 0.7 mu g/mL, respectively. The 50\% germ tube formation inhibition in case of C. albicans is observed at 108.49 mu g/mL. 1,2,4-Triazole thiol substituted strobilurin derivatives hold promise for the control of pathogenic fungi in agriculture and health care.

}, keywords = {1, 2, 3-triazole strobilurin, 4-triazole thiol strobilurin, antifungal, Strobilurin, Y-H transition inhibition}, issn = {0376-4699}, author = {Chaudhary, Preeti M. and Tupe, Santosh G. and Jorwekar, Shweta U. and Sant, Duhita G. and Deshpande, Sunita R. and Maybhate, Shailaja P. and Likhite, Anjali P. and Deshpande, Mukund V.} } @article { ISI:000346263800042, title = {Synthesis and characterization of PEPO grafted carboxymethyl guar and carboxymethyl tamarind as new thermo-associating polymers}, journal = {Carbohydrate Polymers}, volume = {117}, year = {2015}, month = {MAR}, pages = {331-338}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

New thermo associating polymers were designed and synthesized by grafting amino terminated poly(ethylene oxide-co-propylene oxide) (PEPO) onto carboxymethyl guar (CMG) and carboxymethyl tamarind (CMT). The grafting was performed by coupling reaction between-NH2 groups of PEPO and -COOH groups of CMG and CMT using water-soluble EDC/NHS as coupling agents. The grafting efficiency and the temperature of thermo-association, T-assoc in the copolymer were studied by NMR spectroscopy. The graft copolymers, CMG-g-PEPO and CMT-g-PEPO exhibited interesting thermo-associating behavior which was evidenced by the detailed rheological and fluorescence measurements. The visco-elastic properties (storage modulus, G{\textquoteright}; loss modulus, G{\textquoteright}{\textquoteright}) of the copolymer solutions were investigated using oscillatory shear experiments. The influence of salt and surfactant on the T-assoc was also studied by rheology, where the phenomenon of {\textquoteleft}{\textquoteleft}Salting out{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}Salting in{\textquoteright}{\textquoteright} was observed for salt and surfactant, respectively, which can give an easy access to tunable properties of these copolymers. These thermo-associating polymers with biodegradable nature of CMG and CMT can have potential applications as smart injectables in controlled release technology and as thickeners in cosmetics and pharmaceutical formulations. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Carboxymethyl guar, Carboxymethyl tamarind, Pluronics, Rheology, Solution behavior, Thermo-associating polymers}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.09.073}, author = {Gupta, Nivika R. and Torris, Arun A. T. and Wadgaonkar, Prakash P. and Rajamohanan, P. R. and Ducouret, Guylaine and Hourdet, Dominique and Creton, Costantino and Badiger, Manohar V.} } @article { ISI:000363466600014, title = {Synthesis and characterization of polyetherimides containing multiple ether linkages and pendent pentadecyl chains}, journal = {Polymer International}, volume = {64}, number = {12}, year = {2015}, month = {DEC}, pages = {1770-1778}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

4-(4-(4-(4-Aminophenoxy)-2-pentadecylphenoxy)phenoxy)aniline (APPPA) was synthesized starting from cashew nut shell liquid-derived bisphenol, i.e. 4-(4-hydroxyphenoxy)-3-pentadecylphenol, by nucleophilic substitution reaction with 4-chloronitrobenzene followed by reduction of the formed 4-(4-nitrophenoxy)-1-(4-(4-nitrophenoxy)phenoxy)-2-pentadecylbenzene. Three new polyetherimides containing multiple ether linkages and pendent pentadecyl chains were synthesized by one-step high-temperature solution polycondensation of APPPA in m-cresol with three aromatic dianhydrides, i.e. 3,3,4,4-oxydiphthalic anhydride, 4,4-(hexafluoroisopropylidene)diphthalic anhydride and 3,3,4,4-biphenyltetracarboxylic dianhydride. Inherent viscosities and number-average molecular weights of the polyetherimides were in the ranges 0.66-0.70 dLg(-1) and 17100-29700gmol(-1) (gel permeation chromatography, polystyrene standards), respectively, indicating the formation of reasonably high molecular weight polymers. The polyetherimides were soluble in organic solvents such as chloroform, dichloromethane, tetrahydrofuran, pyridine, m-cresol, N,N-dimethylformamide, N,N-dimethylacetamide, N-methylpyrrolidone and dimethylsulfoxide, and could be cast into transparent, flexible and tough films from their solutions in chloroform. The polyetherimides exhibited glass transition temperatures (T-g) in the range 113-131 degrees C. The lowering of T-g could be attributed to the combined influence of flexibilizing ether linkages and pentadecyl chains which act as packing-disruptive{\textquoteright} groups. The temperature at 10\% weight loss (T-10), determined from thermogravimetric analysis in nitrogen atmosphere, was in the range 460-470 degrees C demonstrating good thermal stability. The virtues of solubility and large gap between T-g and T-10 mean that the polyetherimides containing pendent pentadecyl chains have possibilities for both solution as well as melt processability. (c) 2015 Society of Chemical Industry

}, keywords = {CNSL, ether linkage, pentadecyl, polyetherimide, processability}, issn = {0959-8103}, doi = {10.1002/pi.4978}, author = {Tawade, Bhausaheb V. and Kulkarni, Arun D. and Wadgaonkar, Prakash P.} } @article { ISI:000360597400020, title = {Synthesis of (+/-) debenzoyl analogs of norsampsones as potential anticancer agents}, journal = {Tetrahedron Letters}, volume = {56}, number = {37}, year = {2015}, month = {SEP}, pages = {5235-5237}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthesis of (+/-) debenzoyl analogs of norsampsones 1 and 2 is reported starting from commercially available 1,3-cyclohexadione in six steps with overall yields of 37\% and 36\%, respectively. Compounds 1 and 2 were tested for their anticancer activity and showed moderate anticancer activity against HeLa cell lines. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Acylphloroglucinols, Anticancer, Debenzoyl, Norsampsones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.07.057}, author = {Jadhav, Amol R. and Thombal, Raju S. and Nigam, Preeti and Jadhav, Vrushali H.} } @article { ISI:000353057300005, title = {Systemic jasmonic acid modulation in mycorrhizal tomato plants and its role in induced resistance against alternaria alternata}, journal = {Plant Biology}, volume = {17}, number = {3}, year = {2015}, month = {MAY}, pages = {625-631}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Tomato plants colonised with the arbuscular mycorrhizal (AM) fungus Glomus fasciculatum show systemic induced resistance to the foliar pathogen Alternaria alternata, as observed in interactions of other AM-colonised plants with a range of pathogens. The role of jasmonic (JA) and salicylic (SA) acid in expression of this mycorrhiza-induced resistance (MIR) against A.alternata was studied by measuring: (i) activity of enzymes reported to be involved in their biosynthesis, namely lipoxygenase (LOX) and phenylammonia lyase (PAL); and (ii) levels of methyl jasmonate (MeJA) and SA. Transcript abundance of some defence genes associated with JA and SA response pathways were also studied. Both LOX and PAL activity increased twofold in response to pathogen application to control plants. AM-colonised plants had three-fold higher LOX activity compared to control plants, but unlike controls, this did not increase further in response to pathogen application. Higher LOX activity in AM-colonised plants correlated with four-fold higher MeJA in leaves of AM-colonised plants compared to controls. Treatment of plants with the JA biosynthesis inhibitor salicylhydroxamic acid (SHAM) led to 50\% lower MeJA in both control and AM-colonised plants and correlated with increased susceptibility to A.alternata, suggesting a causal role for JA in expression of MIR against the pathogen. Genes involved in JA biosynthesis (OPR3) and response (COI1) showed six- and 42-fold higher expression, respectively, in leaves of AM-colonised plants compared to controls. AM-colonised plants also showed increased expression of the SA response gene PR1 and that of the wound-inducible polypeptide prosystemin. Our results suggest that the systemic increase in JA in response to AM colonisation plays a key role in expression of MIR against A. alternata.

}, keywords = {Alternaria alternata, AM colonisation, induced resistance, Methyl jasmonate, salicylhydroxamic acid, Salicylic acid, Solanum lycopersicum}, issn = {1435-8603}, doi = {10.1111/plb.12277}, author = {Nair, A. and Kolet, Swati P. and Thulasiram, H. V. and Bhargava, S.} } @article { ISI:000360656100018, title = {Total synthesis of the natural product EBC-329}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {36}, year = {2015}, month = {JUL}, pages = {9485-9491}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The first total synthesis of an anti-leukemic diterpene natural product EBC-329 (1) has been accomplished starting from readily available 6,6-dimethyl-3-oxabicyclo[3.1.0] hexane-2,4-dione (7). An efficient and general approach has been reported for the synthesis of EBC-329 in 13 steps with an overall yield of 10\%.

}, issn = {1477-0520}, doi = {10.1039/c5ob01276g}, author = {Thombal, Raju S. and Jadhav, Vrushali H.} } @article { ISI:000360677400002, title = {Triterpenoid profiling and functional characterization of the initial genes involved in isoprenoid biosynthesis in neem (Azadirachta indica)}, journal = {BMC Plant Biology}, volume = {15}, year = {2015}, month = {SEP}, pages = {Article Number: 214}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: Neem tree (Azadirachta indica) is one of the richest sources of skeletally diverse triterpenoids and they are well-known for their broad-spectrum pharmacological and insecticidal properties. However, the abundance of Neem triterpenoids varies among the tissues. Here, we delineate quantitative profiling of fifteen major triterpenoids across various tissues including developmental stages of kernel and pericarp, flower, leaf, stem and bark using UPLC-ESI (+)-HRMS based profiling. Transcriptome analysis was used to identify the initial genes involved in isoprenoid biosynthesis. Based on transcriptome analysis, two short-chain prenyltransferases and squalene synthase (AiSQS) were cloned and functionally characterized. Results: Quantitative profiling revealed differential abundance of both total and individual triterpenoid content across various tissues. RNA from tissues with high triterpenoid content (fruit, flower and leaf) were pooled to generate 79.08 million paired-end reads using Illumina GA.. platform. 41,140 transcripts were generated by d e novo assembly. Transcriptome annotation led to the identification of the putative genes involved in isoprenoid biosynthesis. Two short-chain prenyltransferases, geranyl diphosphate synthase (AiGDS) and farnesyl diphosphate synthase (AiFDS) and squalene synthase (AiSQS) were cloned and functionally characterized using transcriptome data. RT-PCR studies indicated five-fold and ten-fold higher relative expression level of AiSQS in fruits as compared to leaves and flowers, respectively. Conclusions: Triterpenoid profiling indicated that there is tissue specific variation in their abundance. The mature seed kernel and initial stages of pericarp were found to contain the highest amount of limonoids. Furthermore, a wide diversity of triterpenoids, especially C-seco triterpenoids were observed in kernel as compared to the other tissues. Pericarp, flower and leaf contained mainly ring-intact triterpenoids. The initial genes such as AiGDS, AiFDS and AiSQS involved in the isoprenoids biosynthesis have been functionally characterized. The expression levels of AiFDS and AiSQS were found to be in correlation with the total triterpenoid content in individual tissues.

}, keywords = {Azadirachta indica, Quantitative profiling, Transcriptome, Triterpenoids}, issn = {1471-2229}, doi = {10.1186/s12870-015-0593-3}, author = {Pandreka, Avinash and Dandekar, Devdutta S. and Haldar, Saikat and Uttara, Vairagkar and Vijayshree, Shinde G. and Mulani, Fayaj A. and Aarthy, Thiagarayaselvam and Thulasiram, Hirekodathakallu V.} } @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:000356845800051, title = {Whole-cell mediated 11 beta-hydroxylation on the basic limonoid skeleton by cunninghamella echinulata}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {12}, year = {2015}, month = {JUN}, pages = {6490-6495}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Regio- and stereoselective 11 beta-hydroxylation was achieved on the basic limonoid skeleton through microbial transformation. Whole cells of Cunninghamella echinulata efficiently converted basic limonoids such as epoxyazadiradione, azadiradione, and gedunin to their 11 beta-hydroxy analogues as the sole metabolite. Fermentation conditions affecting the efficiency (96\%) of biotransformation including substrate concentration, incubation period, pH, and temperature were optimized. The position and stereochemistry of hydroxyl functionality on the isolated metabolites were established through extensive spectroscopic and spectrometric studies (1D, 2D NMR, ESI-MS, and MS/MS).

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b00417}, author = {Haldar, Saikat and Mulani, Fayaj A. and Aarthy, Thiagarayaselvam and Thulasiram, Hirekodathakallu V.} } @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 { ISI:000372335600061, title = {Actinorectispora indica gen. nov., sp nov isolated from soil, a member of the family pseudonocardiaceae}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {66}, number = {2}, year = {2016}, month = {FEB}, pages = {939-945}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

The taxonomic positions of three Gram-stain-positive, aerobic strains, designated YIM 75722, 75726 and 75728(T), and isolated from a soil sample collected from Kurnool of Andhra Pradesh province, India, were assessed using a polyphasic approach. Growth was observed at pH 7.0-10.0 (optimum pH 7.0), 15-28 degrees C (optimum 28 degrees C) and 0-8\% (w/v) NaCl (grew without NaCl). Strains showed cylindrical spores with straight-chain morphology on aerial mycelium, but did not reveal sporangium-like structures or fragmentation of the substrate mycelium. Whole-cell hydrolysates of all strains contained galactose and ribose as the diagnostic sugars and meso-diaminopimelic acid as the diamino acid. The predominant menaquinone was MK-9(H-4); MK-9 (H-6) and MK-10 (H-4) were present in smaller amounts. The phospholipid pattern consisted mainly of diphosphatidylglycerol, phosphatidylglycerol and phosphatidylcholine. The major fatty acids were i-C-15: 0, ai-C-15: 0, i-C-17 : 0 and ai-C-17 : 0. The genomic DNA G+C content was 68.0 mol\%. Phylogenetic analysis, based on 16S rRNA gene sequences, revealed that strain YIM 75728(T) should be placed within the family Pseudonocardiaceae, in which the strain formed a distinct lineage. The combination of phylogenetic analysis, phenotypic characteristics and chemotaxonomic data support the conclusion that strain YIM 75728(T) represents a novel species of a novel genus of the family Pseudonocardiaceae for which the name Actinorectispora indica gen. nov., sp. nov., is proposed. Strain YIM 75728(T) (=DSM 45410(T)=CCTCC AA 209065(T)) is the type strain of Actinorectispora indica. Strain YIM 75728(T) was considered as the type strain over the other two strains based on the highest sequence read length of the strain.

}, issn = {1466-5026}, doi = {10.1099/ijsem.0.000814}, author = {Quadri, Syed Raziuddin and Tian, Xin-Peng and Zhang, Jing and Al Ruwaili, Jamal and Hozzein, Wael N. and Agsar, Dayanand and Li, Wen-Jun and Dastager, Syed Gulam} } @article {43588, title = {Adsorption of strontium (II) metal ions using phosphonate-functionalized polymer}, journal = {Bulletin of Materials Science}, volume = {39}, year = {2016}, month = {OCT}, pages = {1541-1556}, abstract = {Diethyl[3-(methoxydimethylsilyl)propyl]phosphonate (DMPP) polymer was synthesized for the strontium (II) metal ion recovery using diethylallylphosphonate as staring material. Diethylallylphosphonate was reacted with poly(methylhydro)siloxane (MW 1900-2000 g mol (-1) ) in the presence of Speier{\textquoteright}s catalyst. The synthesized monomer was characterized by IR, (1) H NMR, (1 3) C NMR and FT-IR spectroscopy techniques, and the synthesized polymers were characterized by IR and NMR spectroscopy, differential scanning calorimetry, thermogravimetric analysis and solubility. The synthesized polymer was used for sequestering strontium metal from the aqueous solution. The metal binding was examined by the energy dispersive spectroscopy and scanning electron microscopy for the adsorbed Sr(II). Batch adsorption studies were performed by varying three parameters, namely initial pH, adsorbent dose and the contact time. The reaction kinetics was determined by the Langmuir, Freundlich, and pseudo-first- and second-order models. Results of this study indicate that the synthesized polymer DMPP has been effective in removing Sr(II) from the aqueous solution.}, doi = {10.1007/s12034-016-1295-7}, author = {Bhosle, S. M. and Ponrathnam, S. and Tambe, S. S. and Chavan, N. N.} } @article { ISI:000369587800022, title = {Ammonium catalyzed cyclitive additions: evidence for a cation-pi interaction with alkynes}, journal = {Chemical Communications}, volume = {52}, number = {11}, year = {2016}, month = {DEC}, pages = {2311-2313}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The addition of carbamate nitrogen to a non-conjugated carbon-carbon triple bond is catalyzed by an ammonium salt leading to a cyclic product. Studies in homogeneous systems suggest that the ammonium agent facilitates nitrogen-carbon bond formation through a cation-p interaction with the alkyne unit that, for the first time, is directly observed by Raman spectroscopy.

}, issn = {1359-7345}, doi = {10.1039/c5cc08641h}, author = {Nagy, Edith and St Germain, Elijah and Cosme, Patrick and Maity, Pradip K. and Terentis, Andrew C. and Lepore, Salvatore D.} } @article {45644, title = {Application of glucose derived magnetic solid acid for etherification of 5-HMF to 5-EMF, dehydration of sorbitol to isosorbide, and esterification of fatty acids}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {SEP }, pages = {4398-4400}, type = {Article}, abstract = {

In this study, the catalytic activity of Glu-Fe3O4-SO3H was evaluated for three acid catalyzed reactions: etherification of 5-hydroxymethylfurfural (5-HMF) to 5-ethoxymethylfurfural (5-EMF) in ethanol, dehydration of sorbitol to isosorbide, and esterification of fatty acids with good yields and selectivity. Moreover, the catalyst can be easily separated from the reaction with an external magnetic force and reused at least five times without a significant decrease in catalytic activity. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {dehydration, Esterification, etherification, Magnetic}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2016.08.061}, author = {Thombal, Raju S. and Jadhav, Vrushali H.} } @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 { 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.} } @article { ISI:000370650200008, title = {Bacillus cellulasensis sp nov., isolated from marine sediment}, journal = {Archives of Microbiology}, volume = {198}, number = {1}, year = {2016}, month = {JAN}, pages = {83-89}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A novel bacterial strain NIO-1130(T) was isolated from sediment sample taken from Chorao Island, Goa Province, India, and subjected to a taxonomic investigation. The strain was Gram-positive, aerobic, and motile. Phylogenetic analysis based on 16S rRNA gene sequences placed the isolate within the genus Bacillus and strain NIO-1130(T) showed highest sequence similarity with Bacillus halosaccharovorans DSM 25387(T) (98.4 \%) and Bacillus niabensis CIP 109816(T) (98.1 \%), whereas other Bacillus species showed \< 97.0 \% similarity. Tree based on gyrB gene sequence revealed that strain bacillus group. The major menaquinone was MK-7 and the predominant cellular fatty acids were iso-C-15:0, anteiso-C-15:0, iso-C-17:0, and anteiso-C-17:0. The strain showed a DNA G+C content of 39.9 mol\%. DNA-DNA hybridization studies revealed that strain NIO-1130(T) exhibits 70 \% similarity with Bacillus halosaccharovorans DSM 25387(T) and Bacillus niabensis CIP 109816T. On the basis of physiological, biochemical, chemotaxonomic and phylogenetic analyses, we consider the isolate to represent a novel species of the genus Bacillus, for which the name Bacillus cellulasensis sp. nov., is proposed. The type strain is NIO-1130(T) (=NCIM 5461(T) = CCTCC AB 2011126(T)).

}, keywords = {Bacillus sp, Cellulase, Marine sediment, Polyphasic taxonomy}, issn = {0302-8933}, doi = {10.1007/s00203-015-1155-7}, author = {Mawlankar, Rahul R. and Thorat, Meghana N. and Krishnamurthi, Srinivasan and Dastager, Syed Gulam} } @article {43410, title = {Building and analysis of protein-protein interactions related to diabetes mellitus using support vector machine, biomedical text mining and network analysis}, journal = {Computational Biology and Chemistry}, volume = {65}, year = {2016}, month = {DEC}, pages = {37-44}, abstract = {In order to understand the molecular mechanism underlying any disease, knowledge about the interacting proteins in the disease pathway is essential. The number of revealed protein-protein interactions (PPI) is still very limited compared to the available protein sequences of different organisms. Experiment based high-throughput technologies though provide some data about these interactions, those are often fairly noisy. Computational techniques for predicting protein protein interactions therefore assume significance. 1296 binary fingerprints that encode a combination of structural and geometric properties were developed using the crystallographic data of 15,000 protein complexes in the pdb server. In a case study, these fingerprints were created for proteins implicated in the Type 2 diabetes mellitus disease. The fingerprints were input into a SVM based model for discriminating disease proteins from non disease proteins yielding a classification accuracy of 78.2\% (AUC value of 0.78) on an external data set composed of proteins retrieved via text mining of diabetes related literature. A PPI network was constructed and analysed to explore new disease targets. The integrated approach exemplified here has a potential for identifying disease related proteins, functional annotation and other proteomics studies. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.compbiolchem.2016.09.011}, author = {Vyas, Renu and Bapat, Sanket and Jain, Esha and Karthikeyan, Muthukumarasamy and Tambe, Sanjeev and Kulkarni, Bhaskar D.} } @article {43584, title = {Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework}, journal = {Journal of Chemical Sciences}, volume = {128}, year = {2016}, month = {OCT}, pages = {1671-1675}, abstract = {The Z-vector method in the relativistic coupled-cluster framework is employed to calculate the parallel and perpendicular components of the magnetic hyperfine structure constant of a few small alkaline earth hydrides (BeH, MgH, and CaH) and fluorides (MgF and CaF). We have compared our Z-vector results with the values calculated by the extended coupled-cluster (ECC) method reported in Phys. Rev. A 91 022512 (2015). All these results are compared with the available experimental values. The Z-vector results are found to be in better agreement with the experimental values than those of the ECC values.}, doi = {10.1007/s12039-016-1174-1}, author = {Sasmal, Sudip and Talukdar, Kaushik and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {45839, title = {Capsicum annuum proteinase inhibitor ingestion negatively impacts the growth of sorghum pest Chilo partellus and promotes differential protease expression}, journal = {Biochemistry and Biophysics Reports}, volume = {78}, year = {2016}, month = {DEC}, pages = {302-309}, type = {Article}, abstract = {Background Chilo partellus is an important insect pest infesting sorghum and maize. The larvae internalize in the stem, rendering difficulties in pest management. We investigated the effects of Capsicum annuum proteinase inhibitors (CanPIs) on C. partellus larvae by in-vitro and in-vivo experiments. Methods Recombinant CanPI-7 (with four-Inhibitory Repeat Domains, IRDs), -22 (two-IRDs) and insect proteinase activities were estimated by proteinase assays, dot blot assays and in gel activity assays. Feeding bioassays of lab reared C. partellus with CanPI-7 and -22 were performed. C. partellus proteinase gene expression was done by RT-PCR. In-silico structure prediction of proteinases and CanPI IRDs was carried out, their validation and molecular docking was done for estimating the interaction strength. Results Larval proteinases of C. partellus showed higher activity at alkaline pH and expressed few proteinase isoforms. Both CanPIs showed strong inhibition of C. partellus larval proteinases. Feeding bioassays of C. partellus with CanPIs revealed a dose dependent retardation of larval growth, reduction of pupal mass and fecundity, while larval and pupal periods increased significantly. Ingestion of CanPIs resulted in differential up-regulation of C. partellus proteinase isoforms, which were sensitive to CanPI-7 but were insensitive to CanPI-22. In-silico interaction studies indicated the strong interaction of IRD-9 (of CanPI-22) with Chilo proteinases tested. Conclusions Of the two PIs tested, CanPI-7 prevents induction of inhibitor insensitive proteinases in C. partellus so it can be explored for developing C. partellus tolerance in sorghum. General significance Ingestion of CanPIs, effectively retards C. partellus growth; while differentially regulating the proteinases.}, doi = {10.1016/j.bbrep.2016.09.016}, author = {Jadhav, A. R. and War, A. R. and Nikam, A. N. and Adhav, A. S. and Gupta, V. S. and Sharma, H. C. and Giri, A. P. and Tamhane, V.A.} } @article {43583, title = {Characterization and valorization of biomass ashes}, journal = {Environmental Science and Pollution Research}, volume = {23}, year = {2016}, month = {OCT}, pages = {20243-20256}, abstract = {In India, farming is the primary source of income for many families. Following each harvest, a huge amount of biomass is generated. These are generally discarded as "agrowaste," but recent reports have indicated several beneficial uses for these biomasses and their ashes. However, before the utilization of biomass ashes (BMAs), their chemical and physical properties need to be investigated (characterized) so as to utilize their potential benefit to the fullest. In this paper, eight different biomass ashes (soybean plant ash, mustard plant ash, maize ash, groundnut plant ash, cotton plant ash, wheat plant ash, pigeon peas ash, and groundnut shell ash) were characterized, and their chemical properties are discussed. Surface chemical composition analysis, proximate analysis, and ultimate analysis were performed on all BMA samples, and properties such as porosity, particle density, bulk density, point of zero charge, BET surface area, water-absorption capacity, and bulk parameters such as surface pH and surface charges were determined. BMAs were characterized by SEM and FTIR. The surface areas of biomass ashes vary from 1.9 to 46 m(2)/g, and point of zero charge for all BMAs exceed 9.8, which confirmed the alkaline nature of these samples. Based on the chemical composition, BMAs are categorized into four types (S, C, K, and CK), and their utilization is proposed based on the type. BMAs find applications in agriculture and construction industries; glass, rubber, and zeolite manufacturing; and in adsorption (as a source of silica/zeolites). The paper also discusses the research challenges and opportunities in utilization of BMAs. }, doi = {10.1007/s11356-016-7227-7}, author = {Trivedi, Nikhilesh S. and Mandavgane, Sachin A. and Mehetre, Sayaji and Kulkarni, Bhaskar D.} } @article { ISI:000378973100031, title = {Cobalt-modified covalent organic framework as a robust wateroxidation electrocatalyst}, journal = {Chemistry of Materials}, volume = {28}, number = {12}, year = {2016}, month = {JUN}, pages = {4375-4379}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The development of stable, efficient oxygen evolution reaction (OER) catalyst capable of oxidizing water is one of the premier challenges in the conversion of solar energy to electrical energy, because of its poor kinetics. Herein, a bipyridine-containing covalent organic framework (TpBpy) is utilized as an OER catalyst by way of engineering active Co(II) ions into its porous framework. The as-obtained Co-TpBpy retains a highly accessible surface area (450 m(2)/g) with exceptional stability, even after 1000 cycles and 24 h of OER activity in phosphate buffer under neutral pH conditions with an overpotential of 400 mV at a current density of 1 mA/cm(2). The unusual catalytic stability of Co-TpBpy arises from the synergetic effect of the inherent porosity and presence of coordinating units in the COF skeleton.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.6b01370}, author = {Aiyappa, Harshitha Barike and Thote, Jayshri and Shinde, Digambar Balaji and Banerjee, Rahul and Kurungot, Sreekumar} } @article {42999, title = {Comparative functional characterization of eugenol synthase from four different ocimum species: implications on eugenol accumulation}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1864}, year = {2016}, month = {NOV}, pages = {1539-1547}, abstract = {

Isoprenoids and phenylpropanoids are the major secondary metabolite constituents in Ocimum genus. Though enzymes from phenylpropanoid pathway have been characterized from few plants, limited information exists on how they modulate levels of secondary metabolites. Here, we performed phenylpropanoid profiling in different tissues from five Ocimum species, which revealed significant variations in secondary metabolites including eugenol, eugenol methyl ether, estragole and methyl cinnamate levels. Expression analysis of eugenol synthase (EGS) gene showed higher transcript levels especially in young leaves and inflorescence; and were positively correlated with eugenol contents. Additionally, transcript levels of coniferyl alcohol acyl transferase, a key enzyme diverting pool of substrate to phenylpropanoids, were in accordance with their abundance in respective species. In particular, eugenol methyl transferase expression positively correlated with higher levels of eugenol methyl ether in Ocimum tenuiflorum. Further, EGSs were functionally characterized from four Ocimum species varying in their eugenol contents. Kinetic and expression analyses indicated, higher enzyme turnover and transcripts levels, in species accumulating more eugenol. Moreover, biochemical and bioinformatics studies demonstrated that coniferyl acetate was the preferred substrate over coumaryl acetate when used, individually or together, in the enzyme assay. Overall, this study revealed the preliminary evidence for varied accumulation of eugenol and its abundance over chavicol in these Ocimum species. Current findings could potentially provide novel insights for metabolic modulations in medicinal and aromatic plants. (C) 2016 Elsevier B.V. All rights reserved.

}, doi = {10.1016/j.bbapap.2016.08.004}, author = {Anand, Atul and Jayaramaiah, Ramesha H. and Beedkar, Supriya D. and Singh, Priyanka A. and Joshi, Rakesh S. and Mulani, Fayaj A. and Dholakia, Bhushan B. and Punekar, Sachin A. and Gade, Wasudeo N. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article { ISI:000373738200010, title = {Comparative investigation of the ionicity of aprotic and protic ionic liquids in molecular solvents by using conductometry and NMR spectroscopy}, journal = {Chemphyschem}, volume = {17}, number = {7}, year = {2016}, month = {APR}, pages = {1006-1017}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Electrical conductivity (sigma), viscosity (), and self-diffusion coefficient (D) measurements of binary mixtures of aprotic and protic imidazolium-based ionic liquids with water, dimethyl sulfoxide, and ethylene glycol were measured from 293.15 to 323.15K. The temperature dependence study reveals typical Arrhenius behavior. The ionicities of aprotic ionic liquids were observed to be higher than those of protic ionic liquids in these solvents. The aprotic ionic liquid, 1-butyl-3-methylimidazolium tetrafluoroborate, [bmIm][BF4], displays 100\% ionicity in both water and ethylene glycol. The protic ionic liquids in both water and ethylene glycol are classed as good ionic candidates, whereas in DMSO they are classed as having a poor ionic nature. The solvation dynamics of the ionic species of the ionic liquids are illustrated on the basis of the (HNMR)-H-1 chemical shifts of the ionic liquids. The self-diffusion coefficients D of the cation and anion of [HmIm][CH3COO] in D2O and in [D-6]DMSO are determined by using H-1 nuclei with pulsed field gradient spin-echo NMR spectroscopy.

}, keywords = {conducting materials, Electrochemistry, electrostatic interactions, Ion pairs, ionic liquids}, issn = {1439-4235}, doi = {10.1002/cphc.201501156}, author = {Thawarkar, Sachin and Khupse, Nageshwar D. and Kumar, Anil} } @article {43442, title = {Constructing covalent organic frameworks in water via dynamic covalent bonding}, journal = {Iucrj}, volume = {3}, year = {2016}, month = {NOV}, pages = {402-407}, abstract = {The formation of keto-enamine based crystalline, porous polymers in water is investigated for the first time. Facile access to the Schiff base reaction in water has been exploited to synthesize stable porous structures using the principles of Dynamic Covalent Chemistry (DCC). Most credibly, the water-based Covalent Organic Frameworks (COFs) possess chemical as well as physical properties such as crystallinity, surface area and porosity, which is comparable to their solvothermal counterparts. The formation of COFs in water is further investigated by understanding the nature of the monomers formed using hydroxy and non-hydroxy analogues of the aldehyde. This synthetic route paves a new way to synthesize COFs using a viable, greener route by utilization of the DCC principles in conjunction with the keto-enol tautomerism to synthesize useful, stable and porous COFs in water.}, doi = {10.1107/S2052252516013762}, author = {Thote, Jayshri and Aiyappa, Harshitha Barike and Kumar, Raya Rahul and Kandambeth, Sharath and Biswal, Bishnu P. and Shinde, Digambar Balaji and Roy, Neha Chaki and Banerjee, Rahul} } @article { ISI:000370005300013, title = {Convenient synthesis of alpha,alpha {\textquoteleft}- homo- and alpha,alpha {\textquoteleft}-hetero-bifunctionalized poly(epsilon-caprolactone)s by ring opening polymerization: the potentially valuable precursors for miktoarm star copolymers}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {54}, number = {6}, year = {2016}, month = {MAR}, pages = {844-860}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Two new ring opening polymerization (ROP) initiators, namely, (3-allyl-2-(allyloxy)phenyl)methanol and (3-allyl-2-(prop-2-yn-1-yloxy)phenyl)methanol each containing two reactive functionalities viz. allyl, allyloxy and allyl, propargyloxy, respectively, were synthesized from 3-allylsalicyaldehyde as a starting material. Well defined -allyl, -allyloxy and -allyl, -propargyloxy bifunctionalized poly(epsilon-caprolactone)s with molecular weights in the range 4200-9500 and 3600-10,900 g/mol and molecular weight distributions in the range 1.16-1.18 and 1.15-1.16, respectively, were synthesized by ROP of epsilon-caprolactone employing these initiators. The presence of -allyl, -allyloxy and -allyl, -propargyloxy functionalities on poly(epsilon-caprolactone)s was confirmed by FT-IR, H-1, C-13 NMR spectroscopy, and MALDI-TOF analysis. The kinetic study of ROP of epsilon-caprolactone with both the initiators revealed the pseudo first order kinetics with respect to epsilon-caprolactone consumption and controlled behavior of polymerization reactions. The usefulness of -allyl, -allyloxy functionalities on poly(epsilon-caprolactone) was demonstrated by performing the thiol-ene reaction with poly(ethylene glycol) thiol to obtain (mPEG)(2)-PCL miktoarm star copolymer. -Allyl, -propargyloxy functionalities on poly(epsilon-caprolactone) were utilized in orthogonal reactions i.e copper catalyzed alkyne-azide click (CuAAC) with azido functionalized poly(N-isopropylacrylamide) followed by thiol-ene reaction with poly(ethylene glycol) thiol to synthesize PCL-PNIPAAm-mPEG miktoarm star terpolymer. The preliminary characterization of A(2)B and ABC miktoarm star copolymers was carried out by H-1 NMR spectroscopy and gel permeation chromatography (GPC). (c) 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 54, 844-860

}, keywords = {3-allylsalicyaldehyde, alpha {\textquoteleft}-allyloxy and alpha-allyl, alpha {\textquoteleft}-propargyloxy bifunctionalized poly (epsilon-caprolactone)s, alpha-allyl, atom transfer radical polymerization, orthogonal reactions, ring-opening polymerization, star copolymers}, issn = {0887-624X}, doi = {10.1002/pola.27924}, author = {Patil, Sachin S. and Tawade, Bhausaheb V. and Wadgaonkar, Prakash P.} } @article {43627, title = {Cu-Catalyzed iminative hydroolefination of unactivated alkynes en route to 4-imino-tetrahydropyridines and 4-aminopyridines}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {OCT}, pages = {13475-13478}, abstract = {A general method for synthesizing 4-imino tetrahydropyridine derivatives is achieved, from readily available beta-enaminones and sulfonyl azides, which comprises a sequential copper catalyzed ketenimine formation and its hitherto inaccessible intramolecular hydrovinylation. The products are shown as ready precursors for highly valuable 4-sulfonamidopyridine derivatives via DDQ mediated oxidation.}, doi = {10.1039/c6cc08081b}, author = {Kumar, Ravi and Thorat, Shridhar H. and Reddy, Maddi Sridhar} } @article {43405, title = {Cysteine-specific fluorescent switch for monitoring oxidative stress and quantification of aminoacylase-1 in blood serum}, journal = {Analytical Chemistry}, volume = {88}, year = {2016}, month = {DEC}, pages = {12161-12168}, doi = {10.1021/acs.analchem.6b03066}, author = {Anila, H. A. and Ali, Firoj and Kushwaha, Shilpi and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @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 {43443, title = {Design, synthesis, and biological evaluation of novel fluorinated pyrazole encompassing pyridyl 1,3,4-oxadiazole motifs}, journal = {Medicinal Chemistry Research}, volume = {25}, year = {2016}, month = {NOV}, pages = {2698-2717}, abstract = {A rational approach was adopted for the synthesis of 1-(2-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl)-3-(aryl)prop-2-en-1-ones (5a-n) using conventional heating as well as microwave irradiation techniques. Compounds 5a-n were tested for their in vitro antimicrobial activity and cytotoxicity. Compounds 5g showed most potent antibacterial activity, while compound 5k emerged as the most effective antifungal agent. The most active compounds 5f, 5g, 5l, and 5m were also screened against methicillin-resistant Staphylococcus aureus. Among these compounds, 5g and 5m inhibited the growth against MRSA at low level of cytotoxicity. A binary quantitative structure-activity relationship based recursive partitioning model was developed to probe the physico-chemical properties influencing the structure-activity relationship for this class of molecules, which was used to correctly classify active and inactive compounds.}, doi = {10.1007/s00044-016-1683-y}, author = {Desai, Nisheeth C. and Kotadiya, Ghanshyam M. and Trivedi, Amit R. and Khedkar, Vijay M. and Jha, Prakash C.} } @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 {43394, title = {Effect of mixed acid catalysis on pretreatment and enzymatic digestibility of sugar cane bagasse}, journal = {Energy \& Fuels}, volume = {30}, year = {2016}, month = {SEP}, pages = {7310-7318}, abstract = {Aqueous pretreatment using homogeneous acid catalyst is considered as a low-cost technology in the production of lignocellulosic bioethanol. To establish the synergism of mixed acids, pilot-level aqueous pretreatments of bagasse covering a wide range of combined severity (CS) were carried out. To investigate the effect of application of mixture of acids on xylose hydrolysis as well as glucose hydrolysis via pretreatment and enzymatic hydrolysis, the following three combinations of acids were explored: (1) oxalic acid + sulfuric acid (organic + mineral acid), (2) phosphoric + sulfuric acid (mineral acids), and (3) ferric chloride + sulfuric acid (Lewis acid with a mineral acid). Of the pretreatments evaluated, the synergism was most pronounced for the combination of sulfuric and phosphoric acid, which resulted in more than 90\% conversion of hemicellulose to xylose and 70\% conversion of cellulose to glucose through enzymatic hydrolysis. Fourier transform infrared (FTIR) studies of pretreated samples showed higher syringyl/guaiacyl (S/G) ratio for sulfuric and phosphoric acid combination pretreatment, leading to higher enzymatic conversion. FTIR and dynamic light scattering (DLS) experiments conducted on pretreated sugar cane bagasse provided useful correlation with regard to the pretreatment type, particle size, and enzymatic hydrolysis.}, doi = {10.1021/acs.energyfuels.6b01011}, author = {Pal, Siddhartha and Joy, Shereena and Kumbhar, Pramod and Trimukhe, K. D. and Varma, Anjanikumar and Padmanabhan, Sasisanker} } @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: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: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 {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 {43036, title = {Enhanced drug release by selective cleavage of cross-links in a double-cross-linked hydrogel}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {OCT}, pages = {102453-102461}, abstract = {

In the present paper, we report on the synthesis and characterization of redox sensitive double-cross-linked poly(acrylic acid) hydrogels using two different cross-linking agents, Jeffamine (R) and cystamine. The amount of two cross-linking agents was varied in order to synthesize hydrogels with different mechanical strengths. Jeffamine provides mechanical stability to the hydrogels while cystamine incorporates redox sensitivity. The stress values at the break point of the mono-and double-crosslinked hydrogels were determined from stress-strain plots. The disulphide bonds (S-S) in the cystamine were cleaved selectively in the presence of dithiothreitol, which increased the degree of hydrogel swelling. This phenomenon of in situ breaking of one cross-linking and increasing the swelling ratio could be used in swelling-controlled drug delivery systems. The implication of selective breaking of cross-links on the swelling-controlled release of the anticancer drug doxorubicin was demonstrated. We also successfully prepared Ag nanoparticles in the dual cross-linked hydrogels in order to incorporate antibacterial properties and studied their release by selective cleavage of cystamine bonds. These double-cross-linked hydrogels show great promise in drug delivery and tissue engineering applications.

}, doi = {10.1039/c6ra19443e}, author = {Tiwari, Neha and Badiger, Manohar V.} } @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 {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 {45857, title = {Facile O-glycosylation of glycals using Glu-Fe3O4-SO3H, a magnetic solid acid catalyst}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {AUG}, pages = {30846-30851}, type = {Article}, abstract = {A new glucose derived magnetic solid acid catalyst (Glu-Fe3O4-SO3H) was synthesized in a convenient and ecofriendly manner and well characterized using FTIR, PXRD, EDAX, SEM, and XPS which showed the presence of Fe3O4 embedded on the surface of the catalyst along with -SO3H, -OH and -COOH functional groups. This new heterogeneous catalyst was studied for synthesis of 2-deoxy galactosides/glucosides with good yields and selectivity. Moreover, the catalyst can be easily separated from the reaction with an external magnetic force and reused for a minimum of four times without any significant decrease in the yields of the products after every recycle}, doi = {10.1039/c6ra03305a}, author = {Thombal, R. S. and Jadhav, V. H.} } @article { ISI:000369572000029, title = {From insertion to multicomponent coupling: temperature dependent reactions of arynes with aliphatic alcohols}, journal = {Chemical Communications}, volume = {52}, number = {8}, year = {2016}, month = {NOV}, pages = {1665-1668}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The temperature dependent selectivity switch in the reaction of arynes with aliphatic alcohols in THF has been reported. At -20 degrees C, arynes smoothly insert into the O-H bond of alcohols to form alkyl aryl ethers. Interestingly, at 60 degrees C, a highly selective multicomponent coupling occurs with the solvent THF acting as the nucleophilic trigger affording (4-(alkoxy)butoxy)arenes.

}, issn = {1359-7345}, doi = {10.1039/c5cc08307a}, author = {Thangaraj, Manikandan and Bhojgude, Sachin Suresh and Mane, Manoj V. and Biju, Akkattu T.} } @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 {43409, title = {Fungal cell membrane-promising drug target for antifungal therapy}, journal = {Journal of Applied Microbiology}, volume = {121}, year = {2016}, month = {DEC}, pages = {1498-1510}, abstract = {Increase in invasive fungal infections over the past few years especially in immunocompromised patients prompted the search for new antifungal agents with improved efficacy. Current antifungal armoury includes very few effective drugs like Amphotericin B; new generation azoles, including voriconazole and posaconazole; echinocandins like caspofungin and micafungin to name a few. Azole class of antifungals which target the fungal cell membrane are the first choice of treatment for many years because of their effectiveness. As the fungal cell membrane is predominantly made up of sterols, glycerophospholipids and sphingolipids, the role of lipids in pathogenesis and target identification for improved therapeutics were largely pursued by researchers during the last few years. Present review focuses on cell membrane as an antifungal target with emphasis on membrane biogenesis, structure and function of cell membrane, cell membrane inhibitors, screening assays, recent advances and future prospects.}, doi = {10.1111/jam.13301}, author = {Sant, D. G. and Tupe, Santosh Genba and Ramana, Chepuri V. and Deshpande, Mukund V.} } @article {42998, title = {Fungal mediated kinetic resolution of racemic acetates to (R)-alcohols using fusarium proliferatum}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {OCT}, pages = {4563-4567}, abstract = {

Fungal mediated kinetic resolution of seven acyclic/aromatic acetates was achieved using Fusarium proliferatum to furnish (R)-alcohols in high enantiomeric excess (\>95\%). The kinetic resolution was established as one-pot two-step de-esterification/oxidation biocatalytic process. Further, the preparative scale synthesis of (R)-(+)-1-phenylethanol was accomplished through de-esterification/oxidation of (+/-)-1-phenylethyl acetate using the whole cell of F. proliferatum NCIM 1105. (C) 2016 Elsevier Ltd. All rights reserved.

}, doi = {10.1016/j.tetlet.2016.08.084}, author = {Jadhav, Dipesh D. and Patil, Harshal S. and Chaya, Patil S. and Thulasiram, Hirekodathakallu V.} } @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 {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 {45636, title = {Graphene oxide sheathed ZIF-8 microcrystals: engineered precursors of nitrogen-doped porous carbon for efficient oxygen reduction reaction (ORR) electrocatalysis}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {NOV}, pages = {29373-29382}, type = {Article}, abstract = {

Nitrogen containing mesoporous carbon obtained by the pyrolysis of graphene oxide (GO) wrapped ZIF-8 (Zeolitic Imidazolate Frameworks-8) micro crystals is demonstrated to be an efficient catalyst for the oxygen reduction reaction (ORR). ZIF-8 synthesis in the presence of GO sheets helped to realize layers of graphene oxide over ZIF-8 microcrystals and the sphere-like structures thus obtained, on heat treatment, transformed to highly porous carbon with a nitrogen content of about 6.12\% and surface area of 502 m(2)/g. These catalysts with a typical micromeso porous architecture exhibited an onset potential of 0.88Vvs RHE in a four electron pathway and also demonstrated superior durability in alkaline medium compared to that of the commercial Pt/C catalyst. The N-doped porous carbon derived from GO sheathed ZIF-8 core shell structures could therefore be employed as an efficient electrocatalyst for fuel cell applications.

}, keywords = {alkaline fuel cell, graphene oxide, N-doped carbon, oxygen reduction reaction, porous carbon, ZIF-8}, issn = {1944-8244}, doi = {10.1021/acsami.6b06979}, author = {Thomas, Minju and Illathvalappi, Rajith and Kurungot, Sreekumar and Nair, Balagopal N. and Mohamed, Abdul Azeez Peer and Anilkumar, Gopinathan M. and Yamaguchi, Takeo and Hareesh, U. S.} } @article {42940, title = {GSH Induced controlled release of levofloxacin from a purpose-built prodrug: luminescence response for probing the drug release in escherichia coli and staphylococcus aureus}, journal = {Bioconjugate Chemistry}, volume = {27}, year = {2016}, month = {SEP}, pages = {2062-2070}, abstract = {

Fluoroquinolones are third-generation broad spectrum bactericidal antibiotics and work against both Gram-positive and Gram-negative bacteria. Levofloxacin (L), a fluoroquinolone, is widely used in anti-infective chemotherapy and treatment of urinary tract infection and pneumonia. The main pathogen for urinary tract infections is Escherichia colt, and Streptococcus pneumoniae is responsible for pneumonia, predominantly a lower respiratory tract infection. Poor permeability of L leads to the use of higher dose of this drug and excess drug in the outer cellular fluid leads to central nervous system (CNS) abnormality. One way to counter this is to improve the lipophilicity of the drug molecule, and accordingly, we have synthesized two new Levofloxacin derivatives, which participated in the spatiotemporal release of drug via disulfide bond cleavage induced by glutathione (GSH). Recent studies with Streptococcus mutants suggest that it is localized in epithelial lining fluid (ELF) of the normal lower respiratory tract and the effective [GSH] in ELF is similar to 430 mu M. E. coli typically cause urinary tract infections and the concentration of GSH in porcine bladder epithelium is reported as 0.6 mM for a healthy human. Thus, for the present study we have chosen two important bacteria (Gram + ve and Gram - ve), which are operational in regions having high extracellular GSH concentration. Interestingly, this supports our design of new lipophilic Levofloxacin based prodrugs, which released effective drug on reaction with GSH. Higher lipophilicity favored improved uptake of the prodrugs. Site specific release of the drug (L) could be achieved following a glutathione mediated biochemical transformation process through cleavage of a disulfide bond of these purpose-built prodrugs. Further, appropriate design helped us to demonstrate that it is possible also to control the kinetics of the drug release from respective prodrugs. Associated luminescence enhancement helps in probing the release of the drug from the prodrug in bacteria and helps in elucidating the mechanistic pathway of the transformation. Such an example is scarce in the contemporary literature.

}, doi = {10.1021/acs.bioconjchem.6b00324}, author = {Pal, Suman and Ramu, Vadde and Taye, Nandaraj and Mogare, Devraj G. and Yeware, Amar M. and Sarkar, Dhiman and Reddy, D. Srinivasa and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000381834800016, title = {Hierarchical K/LTL zeolites: synthesis by alkali treatment, characterization and catalytic performance in knoevenagel condensation reaction}, journal = {Journal of Industrial and Engineering Chemistry}, volume = {40}, year = {2016}, month = {AUG}, pages = {128-136}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

The hierarchical K/LTL zeolites prepared by post-synthesis modification with aqueous 1.5 M KOH solution by varying alkali volume to K/LTL zeolite (10-70 ml/g) ratios, were examined in Knoevenagel condensation. The physico-chemical properties of the catalysts were thoroughly evaluated by PXRD, ICP, CO2-TPD, XPS, N-2 adsorption/desorption and Si-29 and Al-22 MAS-NMR. Among all the samples, hierarchical K/LTL prepared by treating K/LTL with 50 ml aqueous 1.5 M KOH solution per gram of K/LTL displayed about 1.5 fold higher catalytic activity as compared to parent K/LTL, presumably because of combined effect of enhanced basicity and molecular diffusion through pore channels. (C)2016 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.

}, keywords = {Basicity, Hierarchical zeolite, K/LTL, Knoevenagel condensation, Micro-mesoporous composite}, issn = {1226-086X}, doi = {10.1016/j.jiec.2016.06.016}, author = {Tangale, Nilesh P. and Sonar, Shilpa K. and Niphadkar, Prashant S. and Joshi, Praphulla N.} } @article { ISI:000379250900005, title = {High ash char gasification in thermo-gravimetric analyzer and prediction of gasification performance parameters using computational intelligence formalisms}, journal = {Chemical Engineering Communications}, volume = {203}, number = {8}, year = {2016}, month = {JAN}, pages = {1029-1044}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

The coal gasification is a cleaner and more efficient process than the coal combustion. Although high ash coals are commonly utilized in the energy generation, systematic gasification kinetic studies using chars derived from these coals are scarce. Accordingly, this paper reports the development of the data-driven models for the gasification of chars derived from the high ash coals. Specifically, the models predict two important gasification performance parameters, viz. gasification rate constant and reactivity index. These models have been constructed using three computational intelligence (CI) methods, namely genetic programming (GP), multilayer perceptron (MLP) neural network (NN), and support vector regression (SVR). The inputs to the CI-based models consist of seven parameters representing the gasification reaction conditions and properties of high ash coals and chars. The data used in the modeling were collected by performing extensive gasification experiments in the CO2 atmosphere in a thermo-gravimetric analyzer (TGA) using char samples derived from the Indian coals containing high ash content. Values of the two gasification performance parameters were obtained by fitting the experimental data to the shrinking unreacted core (SUC) model. It has been observed that all the CI-based models possess an excellent prediction accuracy and generalization capability. Accordingly, these models can be gainfully employed in the design and operation of the fixed and fluidized bed gasifiers using high ash coals.

}, keywords = {Char gasification kinetic modeling, Data-driven modeling, genetic programming, Multilayer perceptron neural network, support vector regression, Thermo-gravimetric analyzer}, issn = {0098-6445}, doi = {10.1080/00986445.2015.1135795}, author = {Patil-Shinde, Veena and Saha, Sujan and Sharma, Bijay K. and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @article {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:000368651100021, title = {High-Performance flexible solid-state supercapacitor with an extended nanoregime interface through in situ polymer electrolyte generation}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {2}, year = {2016}, month = {JAN}, pages = {1233-1241}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{Here, we report an efficient strategy by which a significantly enhanced electrodeelectrolyte interface in an electrode for supercapacitor application could be accomplished by allowing in situ polymer gel electrolyte generation inside the nanopores of the electrodes. This unique and highly efficient strategy could be conceived by judiciously maintaining ultraviolet-triggered polymerization of a monomer mixture in the presence of a high-surface-area porous carbon. The method is very simple and scalable, and a prototype, flexible solid-state supercapacitor could even be demonstrated in an encapsulation-free condition by using the commercial-grade electrodes (thickness = 150 mu m

}, keywords = {cyclic voltametry, impedance analysis, in situ polymer generation, interface, polymer electrolyte, supercapacitor}, issn = {1944-8244}, doi = {10.1021/acsami.5b09677}, author = {Anothumakkool, Bihag and Torris, Arun A. T. and Veeliyath, Sajna and Vijayakumar, Vidyanand and Badiger, Manohar V. and Kurungot, Sreekumar} } @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 {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 { ISI:000374196000022, title = {Mechanically tunable curcumin incorporated polyurethane hydrogels as potential biomaterials}, journal = {Chemistry of Materials}, volume = {28}, number = {7}, year = {2016}, month = {APR}, pages = {2120-2130}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report here on the one-pot synthesis and characterization of curcumin incorporated polyethylene glycol polyurethane (PU-CUR) hydrogels using PEG-4000, 4, 4{\textquoteright}-methylenebis (cyclohexyl isocyanate), curcumin in the presence of a cross-linker, 1,2,6 hexanetriol (HT). Besides the physical entrapment, curcumin also provides a partial cross linking in the 3-D structure of the hydrogel. The degree of swelling in hydrogels could be controlled by varying the amount of HT as well as curcumin. The structural characterization of hydrogels was performed using Fourier transform infrared spectroscopy, high-resolution mass spectrometry, UV and fluorescence spectroscopy. The wide-angle X-ray scattering studies revealed the existence of crystalline domains of PEG, and the small-angle X-ray scattering studies showed the presence of lamellar microstructures. Porous structure in the hydrogel was created by cryogenic treatment and lyophilization. Scanning electron microscopy and microcomputed tomography imaging of hydrogels showed the presence of interconnected pores. The mechanical strength of the hydrogels was measured using a universal testing machine. The observed tensile and breaking compression strengths for the equilibrium swollen gels were found to be in the range of 0.22-0.73 MPa and 1.65-4.6 MPa, respectively. Detailed in vitro biological experiments showed the biocompatibility of gels, cytostatic dosage of curcumin, selective toxicity toward cancer cell lines, and antibacterial property. These gels show promising applications as scaffolds and implants in tissue engineering.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.5b04964}, author = {Divakaran, Anumon V. and Azad, Lal Busher and Surwase, Sachin S. and Torris, Arun A. T. and Badiger, Manohar V.} } @article {43420, title = {Modified photo-electrochemical and photo-voltaic properties of solvothermally crystallised TiO2 nanotube arrays}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {27}, year = {2016}, month = {DEC}, pages = {12427-12437}, abstract = {TiO2 nanotube arrays formed by electrochemical anodization of Ti metal foil are crystallized through a solvothermal technique at 200 A degrees C (as compared to conventional annealing at 550 A degrees C), which results in anatase phase with granular morphology. The photo-current measurements reveal a higher current-density under the visible light for solvothermally crystallized samples. The photo-current behavior has been analysed and correlated with defect state characterization using X-ray photo-electron spectroscopy, Photo-luminescence, Electron paramagnetic resonance and Mott-Schottky measurements. These studies indicate an oxygen vacancy related defect state at 1.14 eV below the conduction band. Also, the density of defect states in solvothermally crystallised samples is an order of magnite, the photo-voltaic properties are studied through dye-sensitised solar cells. I-Vude higher than that in conventionally annealed samples. Furthermor characteristics of DSSC fabricated with solvothermally crystallised samples show comparable efficiency but higher dye-adsorption with respect to the conventionally annealed samples. Such a comparable efficiency at a lower thermal budget leads to reduced {\textquoteright}energy pay-back time{\textquoteright} in solar cells fabricated with solvothermally crystallised TiO2 nanotube arrays. Finally, we demonstrate a proof-of-concept design of flexible solar cell based on TiO2 nanotubes grown on Kapton substrate and crystallised through the solvothermal technique.}, doi = {10.1007/s10854-016-5248-0}, author = {Banki, Manmadha Rao and Tathavadekar, Mukta and Chunchu, Venkatrao and Roy, Somnath C.} } @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 {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 {43582, title = {Mustard plant ash: a source of micronutrient and an adsorbent for removal of 2,4-dichlorophenoxyacetic acid}, journal = {Environmental Science and Pollution Research}, volume = {23}, year = {2016}, month = {OCT}, pages = {20087-20099}, abstract = {The work highlights the utilization of an agricultural waste mustard plant ash (MPA) as a soil additive and an adsorbent. MPA was characterized by X-ray fluorescence (XRF), energy-dispersive X-ray spectroscopy (EDX), proximate analysis, CHNS analysis, Brunauer-Emmett-Teller (BET) surface area analysis, zeta potential measurements, Fourier transform infrared (FTIR), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). XRF analysis confirmed the presence of CaO (31.35 \%), K2O (18.55 \%), and P2O5 (6.99 \%), all of which act as micronutrients to plants. EDX also confirms high amount of elemental O, Ca, K, and P. The adsorptive ability of MPA was investigated using a commonly used herbicide, 2,4-dichlorophenoxyacetic acid (2,4-D), as a representative chemical. Batch adsorption experiments were conducted to study the effect of different operational parameters such as adsorbent dose, initial 2,4-D concentration, contact time, and temperature on the adsorption process. Data from experiments were fitted to various kinetic and isothermal models. The pseudo-second-order kinetic model was found to show the best fit (R (2) > 0.99), with the highest k (2) value of the order 10(5). Based on the study results, dosage of MPA/hectare for different crops has been recommended for effective removal of 2,4-D. To our knowledge, this is the first study in which MPA has been characterized in detail and investigated for dual applications (as an adsorbent and as a soil additive).}, doi = {10.1007/s11356-016-6202-7}, author = {Trivedi, Nikhilesh S. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {43398, title = {Necking in extrusion film casting: numerical predictions of the maxwell model and comparison with experiments}, journal = {Journal of Macromolecular Science Part B-Physics}, volume = {55}, year = {2016}, month = {SEP}, pages = {984-1006}, abstract = {The role of viscoelasticity in determining the extent of necking of a web of molten polymer extruded in an isothermal steady state extrusion film casting (EFC) process is considered. Following a brief review of experimental and theoretical efforts on this problem, analytical and numerical solutions to a well-established model for extrusion film casting using the Maxwell constitutive equation is presented. The extent of film necking was found to either increase or decrease with draw ratio (DR) depending on the Deborah number (De). The locus of points on the draw ratio-Deborah number diagram at which the draw ratio dependence of the necking width inverts was calculated and compared with the locus that separates the unattainable regime from the experimentally accessible regime. Predicted trends were found to be in qualitative agreement with experimental data for various polyethylene grades.}, doi = {10.1080/00222348.2016.1225556}, author = {Pol, Harshawardhan V. and Thete, Sumeet S.} } @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 {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 {42854, title = {Palladium supported on fluorite structured redox CeZrO4-δ for heterogeneous suzuki coupling in water: a green protocol}, journal = {Chemistry Select}, volume = {1}, year = {2016}, month = {JUL}, pages = {2673{\textendash}2681}, abstract = {

Pd on redox CeZrO4-δ catalysts was prepared, characterized and their activity was evaluated for Suzuki coupling reaction in water under reflux condition. Fresh and reduced form of 5 \% Pd (R-Pd5) on CeZrO4-δ catalyst exhibited 100 \% conversion in 2.5 and 1 h, respectively. R-Pd5 shows significant activity for wide range of substrate compatibility and for less reactive aryl bromides too. The mechanistic investigations proved the important role of redox CeZrO4-δ support on the catalytic activity. It was observed that the presence of oxygen vacancy along with Ce3+ enhances the activity. 1 wt \% Pd photodeposited on pre-reduced CeZrO4-δ support requires a mere 20 min. for 100 \% conversion of Suzuki coupling. Effect of metal dispersion and particle size on catalytic activity is also discussed. High Pd dispersion with small particle size (4{\textpm}1 nm), particle size preservation after reaction, strong metal-support interaction and no leaching fully suggest the heterogeneous mechanism is operative for Suzuki coupling on 1 wt \% Pd photodeposited on reduced CeZrO4-δ support. Present work hints the possibility of achieving high conversion for Suzuki reaction with very small amount of Pd through better dispersion by taking advantage of redox support and in water.

}, doi = {10.1002/slct.201600655}, author = {Burange, Anand S. and Shukla, Rakesh and Tyagi, Avesh Kumar and Gopinath, Chinnakonda S.} } @article { ISI:000368554000002, title = {Photocatalytic degradation of ciprofloxacin center dot HCl using Aeroxide (R) P-25 TiO2 photocatalyst: comparative evaluation of solar and artificial radiation}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {55}, number = {1}, year = {2016}, month = {JAN}, pages = {16-22}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

The photocatalytic degradation of ciprofioxacin (CFX) has been investigated using Aeroxide (R) P-25 TiO2 photocatalyst in the presence of solar as well as artificial radiation. The effects of different operating parameters like initial concentration of CFX, catalyst loading, pH of solution and effect of co-existing ions on photocatalytic degradation of CFX have been investigated with a view to establish the optimum operating conditions. It is observed that as the initial concentration of CFX increases, the rate of photocatalytic degradation decreases. Optimum catalyst loading is observed at 1 g L-1 for CFX concentration of 100 mg L-1. Over the pH range 3-11, maximum degradation rate occurs at pH 9. The mechanism and intermediates formed during the photocatalytic degradation of CFX are discussed based on UPLC-MS/MS analysis. From kinetic studies, it is found that the photocatalytic degradation obeys pseudo-first order kinetics. The degradation rate constant using solar radiation is about 1.7 times higher than that under artificial radiation.

}, keywords = {Advanced oxidation process, Aeroxide (R) P-25 TiO2, Artificial radiation, Ciprofloxacin center dot HCl, Degradation, Pharmaceutical micropollutants, Photocatalysis, Solar radiation}, issn = {0376-4710}, author = {Shetty, Rohit and Kothari, Gaurav and Tambe, Amruta S. and Kulkarni, Bhaskar D. and Kamble, Sanjay P.} } @article { ISI: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: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:000378935400002, title = {Pretreatment and enzymatic process modification strategies to improve efficiency of sugar production from sugarcane bagasse}, journal = {3 Biotech}, volume = {6}, year = {2016}, month = {JUN}, pages = {Article Number: 126}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Pretreatment and enzymatic hydrolysis play a critical role in the economic production of sugars and fuels from lignocellulosic biomass. In this study, we evaluated diverse pilot-scale pretreatments and different post-pretreatment strategies for the production of fermentable sugars from sugarcane bagasse. For the pretreatment of bagasse at pilot-scale level, steam explosion without catalyst and combination of sulfuric and oxalic acids at low and high loadings were used. Subsequently, to enhance the efficiency of enzymatic hydrolysis of the pretreated bagasse, three different post-pretreatment process schemes were investigated. In the first scheme (Scheme 1), enzymatic hydrolysis was conducted on the whole pretreated slurry, without treatments such as washing or solid-liquid separation. In the second scheme (Scheme 2), the pretreated slurry was first pressure filtered to yield a solid and liquid phase. Following filtration, the separated liquid phase was remixed with the solid wet cake to generate slurry, which was then subsequently used for enzymatic hydrolysis. In the third scheme (Scheme 3), the pretreated slurry was washed with more water and filtered to obtain a solid and liquid phase, in which only the former was subjected to enzymatic hydrolysis. A 10 \% higher enzymatic conversion was obtained in Scheme 2 than Scheme 1, while Scheme 3 resulted in only a 5-7 \% increase due to additional washing unit operation and solid-liquid separation. Dynamic light scattering experiments conducted on post-pretreated bagasse indicate decrease of particle size due to solid-liquid separation involving pressure filtration provided increased the yield of C6 sugars. It is anticipated that different process modification methods used in this study before the enzymatic hydrolysis step can make the overall cellulosic ethanol process effective and possibly cost effective.

}, keywords = {Dilute acid treatment, High-solid enzymatic hydrolysis, Pilot-scale pretreatment, Pressure filtration, Solid-liquid separation}, issn = {2190-5738}, doi = {10.1007/s13205-016-0446-2}, author = {Pal, Siddhartha and Joy, Shereena and Trimukhe, Kalpana D. and Kumbhar, Pramod S. and Varma, Anjani J. and Padmanabhan, Sasisanker} } @article {43633, title = {Promising field electron emission performance of vertically aligned one dimensional (1D) brookite (beta) TiO2 nanorods}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {OCT}, pages = {98722-98729}, abstract = {We evidence field-electron emission (FE) studies on the large-area array of one-dimensional (1D) brookite (beta) TiO2 nanorods. The pure 1D beta-TiO2 nanorods of 10 nm width and 760 nm long were synthesized on Si substrate utilizing hot-filament metal vapor deposition technique. X-ray diffraction (XRD) and transmission electron microscopy (TEM) analysis evidenced the beta-TiO2 nanorods to be composed of orthorhombic crystals in brookite (beta) phase. X-ray photoemission spectroscopy (XPS) revealed the formation of pure stoichiometric (i.e. 1 : 1.98) 1D TiO2 nanorods. The values of turn-on field, required to draw current density of 10 mA cm(-2), was observed 3.9 V mu m(-1) for pristine 1D beta-TiO2 nanorods emitters, which were found significantly lower than doped/undoped 1D TiO2 nanostructures (i.e. nanotubes, nanowires, nanorods) based field emitters. The enhanced FE behavior of the TiO2/Si emitter can be attributed to modulation of electronic properties due to the high aspect ratio of vertically aligned TiO2 nanorods. Furthermore, the orthodox emission situation of pristine TiO2/Si emitters exhibit good emission stability and reveal their potentials as promising FE material.}, doi = {10.1039/c6ra20747b}, author = {Devan, Rupesh S. and Ma, Yuan-Ron and More, Mahendra A. and Khare, Ruchita T. and Antad, Vivek V. and Patil, Ranjit A. and Thakare, Vishal P. and Dhayal, Rajendra S. and Schmidt-Mende, Lukas} } @article {45657, title = {Pyramiding PvPGIP2 and TAXI-III but not PvPGIP2 and PMEI enhances resistance against fusarium graminearum}, journal = {Molecular Plant-Microbe Interactions}, volume = {29}, year = {2016}, month = {AUG}, pages = {629-639}, type = {Article}, abstract = {

Plant protein inhibitors counteract the activity of cell wall degrading enzymes (CWDEs) secreted by pathogens to breach the plant cell-wall barrier. Transgenic plants expressing a single protein inhibitor restrict pathogen infections. However, since pathogens secrete a number of CWDEs at the onset of infection, we combined more inhibitors in a single wheat genotype to reinforce further the cell-wall barrier. We combined polygalacturonase (PG) inhibiting protein (PGIP) and pectin methyl esterase inhibitor (PMEI), both controlling the activity of PG, one of the first CWDEs secreted during infection. We also pyramided PGIP and TAXI-M, a xylanase inhibitor that controls the activity of xylanases, key factors for the degradation of xylan, a main component of cereal cell wall. We demonstrated that the pyramiding of PGIP and PMEI did not contribute to any further improvement of disease resistance. However, the presence of both pectinase inhibitors ensured a broader spectrum of disease resistance. Conversely, the PGIP and TAXI-HI combination contributed to further improvement of Fusarium head blight (FHB) resistance, probably because these inhibitors target the activity of different types of CWDEs, i.e., PGs and xylanases. Worth mentioning, the reduction of FHB symptoms is accompanied by a reduction of deoxynivalenol accumulation with a foreseen great benefit to human and animal health.

}, issn = {0894-0282}, doi = {10.1094/MPMI-05-16-0089-R}, author = {Tundo, Silvio and Kalunke, Raviraj and Janni, Michela and Volpi, Chiara and Lionetti, Vincenzo and Bellincampi, Daniela and Favaron, Francesco and D{\textquoteright}Ovidio, Renato} } @article { ISI:000380182400037, title = {Radical beckmann rearrangement and its application in the formal total synthesis of antimalarial natural product isocryptolepine via C-H activation}, journal = {Organic Letters}, volume = {18}, number = {14}, year = {2016}, month = {JUL}, pages = {3450-3453}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The Beckmann rearrangement of ketoximes, mediated by ammonium persulfate-dimethyl sulfoxide as a reagent, has been achieved under neutral conditions. Based on the radical trapping and O-18-labeling experiments, the transformation follows a mechanism involving a radical pathway. The scope and generality of the developed protocol has been demonstrated by 19 examples. The developed protocol and Pd-catalyzed intramolecular double C-H activation were used as key steps in the formal total synthesis of antimalarial natural product isocryptolepine.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01634}, author = {Mahajan, Pankaj S. and Humne, Vivek T. and Tanpure, Subhash D. and Mhaske, Santosh B.} } @article { ISI:000369545400074, title = {Re-engineering of PIP3-antagonist triazole PITENIN{\textquoteright}s chemical scaffold: development of novel antifungal leads}, journal = {RSC Advances}, volume = {6}, number = {14}, year = {2016}, month = {JAN}, pages = {11691-11701}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel 4-(1-phenyl-1-hydroxyethyl)-1-(o-hydroxyphenyl)-1H-1,2,3-triazole was designed by integrating the structural features of triazole PITENIN anticancer agents and the azole class of antifungal drugs. A two-step protocol comprising the Barbier propargylation and Cu-catalyzed azide-alkyne cycloaddition was established to synthesise a diverse set of compounds of this class. Their screening against a wide range of human fungal pathogens led to identification of several potential antifungal hits and some of them displayed better antifungal activity than fluconazole against Candida glabrata, Cryptococcus neoformans, Aspergillus fumigatus and Aspergillus niger. Mode of action studies revealed that their antifungal activity was resulting either from the inhibition of lanosterol 14 alpha-demethylase enzyme (leading to ergosterol depletion) or by the generation of reactive oxygen species (ROS).

}, issn = {2046-2069}, doi = {10.1039/c5ra25145a}, author = {Pulya, Sravani and Kommagalla, Yadagiri and Sant, Duhita G. and Jorwekar, Shweta U. and Tupe, Santosh G. and Deshpande, Mukund V. and Ramana, Chepuri V.} } @article {45877, title = {Removal of arsenite [As(III)] and arsenate [As(V)] ions from wastewater using TFA and TAFA resins: computational intelligence based reaction modeling and optimization}, journal = {Journal of environmental chemical engineering}, volume = {4}, year = {2016}, month = {DEC}, pages = {4275-4286}, type = {Article}, abstract = {Being significantly toxic, removal of arsenic forms an important part of the drinking- and waste-water treatment. Tannin is a polyphenol-rich substrate that efficiently and adsorptively binds to the multivalent metal ions. In this study, tannin-formaldehyde (TFA) and tannin-aniline-formaldehyde (TAFA) resins were synthesized and employed successfully for an adsorptive removal of arsenite [As(III)] and arsenate [As(V)] ions from the contaminated water. Next, a computational intelligence (CI) based hybrid strategy was used to model and optimize the resin-based adsorption of As(III) and As(V) ions for securing optimal reaction conditions. This strategy first uses an exclusively reaction data driven modeling strategy, namely, genetic programming (GP) to predict the extent (\%) of As(III)/As(V) adsorbed on TFA and TAFA resins. Next, the input space of the GP-based models consisting of the reaction condition variables/parameters was optimized using genetic algorithm (GA) method; the objective of this optimization was to maximize the adsorption of As(III) and As(V) ions on the two resins. Finally, the sets of optimal reaction conditions provided by GP-GA hybrid method were verified experimentally the results of which indicate that the optimized conditions have lead to 0.3\% and 1.3\% increase in the adsorption of As(III) and As(V) ions on TFA resin. More significantly, the optimized conditions have increased the adsorption of As(III) and As(V) on TAFA resin by 3.02\% and 12.77\%, respectively. The GP-GA based strategy introduced here can be gainfully utilized for modeling and optimization of similar type of contaminant-removal processes. }, doi = {10.1016/j.jece.2016.09.030}, author = {Patil-Shinde, V. and Mulani, K. B. and Donde, K. and Chavan, N. N. and Ponrathnam, S. and Tambe, S. S.} } @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 {45873, title = {Role of helical spring locked washer in bolted join tanalysis: A review}, journal = {International Journal of Structural Integrity}, volume = {7}, year = {2016}, month = {JUN}, pages = {346-358}, type = {Article}, abstract = {Purpose-The purpose of this paper is to give a brief introduction of helical spring locked washer along with extensive literatures survey on role of helical spring locked washer in bolted joint analysis. It is very small component of bolted joint assembly, but it play vital role in holding the assembly components together. Helical shape of it produces spring effect in the assembly which is used for keeping the assembly in tension and that is lock the assembly under dynamic loading due to vibrations to avoid the accident. Design/methodology/approach-The critical literatures survey identifies role of helical spring locked washer in different areas such as design optimization, mechanism of loosening-resistant components, bolted joint analysis, finite element-based modeling, analysis and simulation. The related literatures show contribution of helical spring washers in evaluation of anti-loosening performance of assemblies as compare to other types of washers. Findings-It proposed that design optimization of helical spring locked washer is needed as it improves the performance in the form of load-deflection characteristics, load bearing capacity and provides the best locking force for optimize functionality. Originality/value-The originality or value of this paper is to finding research gaps in literatures by dividing literatures into seven different research areas and concentrating the only on role of helical spring locked washer in bolted joint analysis. }, doi = {10.1108/IJSI-04-2015-0012}, author = {Wagh, H. K. and Desale, G. R. and Tripathi, K.} } @article { ISI:000374626200020, title = {Role of surface synergistic effect on the performance of Ni-based hydrotalcite catalyst for highly efficient hydrogenation of furfural}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {417}, year = {2016}, month = {JUN}, pages = {153-162}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The selective vapor phase hydrogenation of furfural at ambient pressure has been investigated using a facile and robust hydrotalcite derived Ni containing mixed oxide catalyst. The systematic characterization results conferred that the difficulty in the reduction of Ni species due to the strong interaction between Ni and support, which facilitated from the homogeneous distribution of hydrotalcite structure. It was also found that the structure and catalytic performance of the catalysts were greatly influenced by Ni loading. Through fine-tuned surface elemental sites and reaction conditions, furfural conversion of 98\% with 95\% of furfuryl alcohol selectivity was achieved over a MAN-2 catalyst containing two molar ratio of Ni. The results have demonstrated that the incorporation of Mg significantly enhances the Ni-support interaction, Ni dispersion and catalytic performance. The high efficiency of the Ni-based hydrotalcite derived catalyst was mainly attributed to the surface synergistic interaction between the catalytically active metallic Ni sites and the strong basic sites, which furnished an eco-benign and sustainable catalyst for the selective hydrogenation of furfural. Furthermore, the spent catalyst analysis substantiated that no significant difference in the catalyst phase was observed even after 48 h of reaction stream. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {alcohol-hydrotalcites-selective, Biomass-frurfural-furfuryl, Hydrogenation}, issn = {1381-1169}, doi = {10.1016/j.molcata.2016.03.019}, author = {Manikandan, Marimuthu and Venugopal, Ashok Kumar and Prabu, Kandasamy and Jha, Ratnesh Kumar and Thirumalaiswamy, Raja} } @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 {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 { ISI:000369515700086, title = {Solution chemistry-based nano-structuring of copper dendrites for efficient use in catalysis and superhydrophobic surfaces}, journal = {RSC Advances}, volume = {6}, number = {10}, year = {2016}, month = {JAN}, pages = {8416-8430}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Despite their performance and economic advantages over Ag and Au, there have been no focused research efforts on the nano-structuring of Cu dendrites with respect to fine-tuning their structure/morphology towards the efficiency enhancement of suitable applications. Reported here is a simple, versatile, environmentally-friendly and galvanic replacement reaction-based solution chemistry methodology to synthesize highly nano-structured copper dendrites targeted towards the efficiency enhancement of desired applications. Herein, copper is deposited galvanically on an Al foil in the presence of NaCl/HCl, wherein the chloride anions augment an uninterrupted replacement reaction. The growth process of Cu dendrites has been probed in detail. The presence of acid, the type of Cu2+ precursor salt, the Cu2+ ion concentration, the surfactant concentration and the reaction temperature are all demonstrated to provide useful means of modulating the surface structure/morphology of the dendrites. Notably, dendrites formed in the presence of acid are found to be highly nano-structured. Moreover, it is also found that the morphology/structure of the obtained Cu deposit depends considerably upon the choice of the Cu2+ precursor salt, a parameter that has been completely overlooked in the past. The acid-induced nano-structuring of the dendrites is exploited for enhancing their efficiency in the catalytic reduction of para-nitrophenol and for fabricating self-cleaning superhydrophobic surfaces. These nano-structured dendrites are demonstrated to have the highest ever normalized rate constant for the catalytic reduction reaction. Superhydrophobic surfaces fabricated using these dendrites demonstrate excellent self-cleaning abilities, showing a high contact angle (159 degrees) with low contact angle hysteresis (2 degrees). This facile synthetic strategy for the fabrication of highly nano-structured Cu dendrites is expected to open up avenues for the production of Cu-based low-cost functional nano/micro-materials.

}, issn = {2046-2069}, doi = {10.1039/c5ra22683j}, author = {Bakthavatsalam, Rangarajan and Ghosh, Subrata and Biswas, Ratul Kumar and Saxena, Aayushi and Raja, Alagar and Thotiyl, Musthafa Ottakam and Wadhai, Sandip and Banpurkar, Arun G. and Kundu, Janardan} } @article { ISI:000375346500029, title = {Specific receptor for hydrazine: mapping the in situ release of hydrazine in live cells and in an in vitro enzymatic assay}, journal = {Chemical Communications}, volume = {52}, number = {36}, year = {2016}, month = {MAR}, pages = {6166-6169}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a new chemodosimetric reagent capable of detecting hydrazine in the presence of several other competing amine derivatives and ionic analytes of biological relevance. This reagent has been utilized for real time monitoring of in situ N2H4 release during the metabolism of a crucial tuberculosis drug, isoniazid, in live HepG2 cells. The fluorescence response of the reagent based on its specific reaction with N2H4 is used for developing an in vitro assay for aminoacylase-1.

}, issn = {1359-7345}, doi = {10.1039/c6cc01787h}, author = {Ali, Firoj and Anila, H. A. and Taye, Nandaraj and Mogare, Devraj G. and Chattopadhyay, Samit and Das, Amitava} } @article {43001, title = {Stereoselective quenching of cedryl carbocation in epicedrol biosynthesis}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {MAR}, pages = {1161-1164}, abstract = {

Epicedrol synthase catalyzes the cyclization of achiral diphosphate substrate, (E,E)-farnesyldiphosphate (FPP) into epicedrol. GC-MS analysis of assay extracts obtained by incubating FPP with epicedrol synthase in 21.6 at \% H2(18)O buffer showed the molecular ion of 224 for epicedrol. The labeled oxygen study presented here unambiguously demonstrates that the hydroxyl group of the epicedrol synthase enzymatic product, epicedrol, is derived from a water molecule, not from the phosphate moiety of the FPP. (C) 2016 Elsevier Ltd. All rights reserved.

}, doi = {10.1016/j.tetlet.2016.01.109}, author = {Shinde, Sandip S. and Navale, Govinda R. and Said, Madhukar S. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000374037600002, title = {Structural insights and functional implications of inter-individual variability in beta(2)-adrenergic receptor}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {APR}, pages = {24379}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

The human beta(2)-adrenergic receptor (beta(2)AR) belongs to the G protein-coupled receptor (GPCR) family and due to its central role in bronchodilation, is an important drug target. The inter-individual variability in beta(2)AR has been implicated in disease susceptibility and differential drug response. In this work, we identified nine potentially deleterious non-synonymous single nucleotide polymorphisms (nsSNPs) using a consensus approach. The deleterious nsSNPs were found to cluster near the ligand binding site and towards the G-protein binding site. To assess their molecular level effects, we built structural models of these receptors and performed atomistic molecular dynamics simulations. Most notably, in the Phe290Ser variant we observed the rotameric flip of Trp286(6.48), a putative activation switch that has not been reported in beta(2)AR thus far. In contrast, the variant Met82Lys was found to be the most detrimental to epinephrine binding. Additionally, a few of the nsSNPs were seen to cause perturbations to the lipid bilayer, while a few lead to differences at the G-protein coupling site. We are thus able to classify the variants as ranging from activating to damaging, prioritising them for experimental studies.

}, issn = {2045-2322}, doi = {10.1038/srep24379}, author = {Tandale, Aditi and Joshi, Manali and Sengupta, Durba} } @article { ISI:000373019700004, title = {Sulfonated graphene oxide as highly efficient catalyst for glycosylation}, journal = {Journal of Carbohydrate Chemistry}, volume = {35}, number = {1}, year = {2016}, month = {JAN}, pages = {57-68}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

Heterogeneous sulfonated graphene oxide for the first time has been used as a green and efficient catalyst for atom-economic glycosylation of unprotected, unactivated glycosyl donors or 2,3,4,6-tetra-O-acetylglycosyltrichloroacetimidate with various acceptors basically in the absence of solvent. The unprotected, unactivated glycosyl donors afforded mixtures of alpha- and beta-glycosides, while the 2,3,4,6-tetra-O-acetylglycosyltrichloroacetimidate afforded beta-glycosylated products with high yields and selectivity. The main advantages of this methodology are easy catalyst preparation, no need for dry reagents and reaction conditions, easy catalyst separation and recycling, and high product yields.

}, keywords = {glycol donor, glycosyl acceptor, glycosylation, reusability, Sulfonated graphene oxide}, issn = {0732-8303}, doi = {10.1080/07328303.2015.1120874}, author = {Thombal, Raju S. and Jadhav, Vrushali H.} } @article {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:000374104500001, title = {Synthesis and characterization of superhydrophobic-superoleophilic surface}, journal = {Journal of Sol-Gel Science and Technology}, volume = {78}, number = {3}, year = {2016}, month = {JUN}, pages = {475-481}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The binary superhydrophobic-superhydrophilic surface has been successfully achieved by a combination of nanoscale texture roughness on micro-textured cotton thread network by layer-by-layer deposition method through the single-step sol-gel route. Furthermore, microstructures with improved wettability were produced, in which silica nanotextures were grown without modifying the chemical method to form superoleophilic and superhydrophobic networks. A superoleophilic surface (oil contact angle 0A degrees) and a superhydrophobic coated cotton fabric with surface free energy of gamma (total) = 13. 23 +/- A 0.37 mJ m(-2) (water contact angle of 167 +/- A 1A degrees and a small sliding angle of 4 +/- A 1A degrees) were successfully obtained. The results were exemplified here by the creation of immiscible oils separation membranes, and the innumerable applications of this technology also include self-cleaning fabrics, antistaining fabrics, water purification, and antiwetting fabrics for military applications.

}, keywords = {contact angle, Layer-by-layer deposition method, sol-gel processing, Superhydrophobic-superoleophilic surface}, issn = {0928-0707}, doi = {10.1007/s10971-016-3974-7}, author = {Mahadik, Satish A. and Pedraza, Fernado D. and Relekar, Brahmanand P. and Parale, Vinayak. G. and Lohar, Gaurav M. and Thorat, Sagar S.} } @article { ISI:000370420000003, title = {Synthesis and characterization of thermally stable polyimides with a pendent phenothiazine unit based on new diamine 10-(3,5-diaminobenzoyl)phenothiazine}, journal = {High Performance Polymers}, volume = {28}, number = {1}, year = {2016}, month = {FEB}, pages = {26-33}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

A novel diamine 10-(3,5-diaminobenzoyl)phenothiazine (DBPT) with a side chain containing phenothiazine unit was synthesized. A new family of polyimides (PIs) containing phenothiazine unit in the side chains has been successfully synthesized by direct polycondensation of DBPT with pyromellitic dianhydride, 3,3{\textquoteright},4,4{\textquoteright}-benzophenone tertacarboxylic dianhydride, and 4,4{\textquoteright}-oxydiphthalic anhydride (ODA) via a conventional two-step chemical imidization process. The yield of polymers was good enough, which were soluble in most organic solvents. The molecular orbital energy gaps, thermal stability, and crystallinity of PIs were investigated by molecular modeling, thermogravimetric analysis, and wide-angle X-ray scattering, respectively. Thermal properties of polymers were good enough to permit the use of these PIs in various applications; only 49\% weight loss is detected at 900 degrees C in nitrogen atmosphere. X-Ray diffraction clearly reveals the amorphous nature of PIs. A quantum modeling study (density functional theory) has shown the influence of dianhydride structure on the energy difference of highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels.

}, keywords = {phenothiazine-containing diamine, Polyimide, thermally stable polymer}, issn = {0954-0083}, doi = {10.1177/0954008314568877}, author = {Ghorpade, Ravindra V. and Thorave, Asmita K. and Rajan, C. R. and Chavan, Nayaku and Ponrathnam, S.} } @article { ISI:000373492800012, title = {Synthesis and properties of poly(arylene ether)s based on 3-pentadecyl 4,4{\textquoteright}-biphenol}, journal = {Polymer International}, volume = {65}, number = {5}, year = {2016}, month = {MAY}, pages = {567-576}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A new biphenol, 3-pentadecyl 4,4-biphenol, was synthesized starting from 3-pentadecylphenol and was polycondensed with 4,4-difluorobenzophenone, 1,3-bis(4-fluorobenzoyl)benzene and bis(4-fluorophenyl)sulfone to obtain poly(arylene ether)s with biphenylene linkages in the backbone and pendent pentadecyl chains. Inherent viscosities and number-average molecular weights (M-n) of the poly(arylene ether)s were in the range 0.50 - 0.81 dL g(-1) and 2.2 x 10(4) - 8.3 x 10(4), respectively. Detailed NMR spectroscopic studies of the poly(arylene ether)s indicated the presence of constitutional isomerism which existed because of the non-symmetrical structure of 3-pentadecyl 4,4-biphenol. The poly(arylene ether)s readily dissolved in common organic solvents such as dichloromethane, chloroform and tetrahydrofuran and could be cast into tough, transparent and flexible films from their chloroform solutions. The poly(arylene ether)s exhibited T-g values in the range 35-60 degrees C which are lower than that of reference poly(arylene ether)s without pentadecyl chains. The 10\% decomposition temperatures (T-10) of the poly(arylene ether)s were in the range 410-455 degrees C indicating their good thermal stability. A gas permeation study of poly(ether sulfone) containing pendent pentadecyl chains revealed a moderate increase in permeability for helium, hydrogen and oxygen. However, there was a large increase in permeability for carbon dioxide which could be attributed to the internal plasticization effect of pendent pentadecyl chains. (c) 2016 Society of Chemical Industry

}, keywords = {cashew nut shell liquid (CNSL), gas permeation study, pentadecyl, poly(arylene ether)s, thermal stability}, issn = {0959-8103}, doi = {10.1002/pi.5095}, author = {Tawade, Bhausaheb V. and Shaligram, Sayali V. and Valsange, Nitin G. and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article { ISI:000371344600027, title = {Synthesis, biological evaluation and molecular docking study of some novel indole and pyridine based 1,3,4-oxadiazole derivatives as potential antitubercular agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {7}, year = {2016}, month = {APR }, pages = {1776-1783}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of indole and pyridine based 1,3,4-oxadiazole derivatives 5a-t were synthesized and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG both in active and dormant state. Compounds 5b, 5e, 5g and 5q exhibited very good antitubercular activity. All the newly synthesized compounds 5a-t were further evaluated for antiproliferative activity against HeLa, A549 and PANC-1 cell lines using modified MTT assay and found to be noncytotoxic. On the basis of cytotoxicity and MIC values against Mycobacterium bovis BCG, selectivity index (SI) of most active compounds 5b, 5e, 5g and 5q was calculated (SI = GI(50)/MIC) in active and dormant state. Compounds 5b, 5e and 5g demonstrated SI values \>= 10 against all three cell lines and were found to safe for advance screening. Compounds 5a-t were further screened for their antibacterial activity against four bacteria strains to assess their selectivity towards MTB. In addition, the molecular docking studies revealed the binding modes of these compounds in active site of enoyl reductase (InhA), which in turn helped to establish a structural basis of inhibition of mycobacteria. The potency, low cytotoxicity and selectivity of these compounds make them valid lead compounds for further optimization. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {1, 3, 4-Oxadiazole, Antitubercular activity, Cytotoxicity, Indole, Molecular docking, Pyridine}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.02.043}, author = {Desai, N. C. and Somani, Hardik and Trivedi, Amit and Bhatt, Kandarp and Nawale, Laxman and Khedkar, Vijay M. and Jha, Prakash C. and Sarkar, Dhiman} } @article { ISI:000371304100013, title = {Synthesis, biological valuation, and QSAR studies of novel pyrazole bearing pyridyl oxadiazole analogues as potential antimicrobial agents}, journal = {Medicinal Chemistry Research}, volume = {25}, number = {4}, year = {2016}, month = {APR}, pages = {712-727}, publisher = {SPRINGER BIRKHAUSER}, address = {233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USA}, abstract = {

A new series of 1-(2-(3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-(pyridin-4-yl)-1,3,4 -oxadiazol-3(2H)-yl)-3-(aryl)prop-2-en-1-ones (5a-l) were synthesized by a simple and efficient synthetic protocol. The newly synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR and Mass spectroscopy. The resulting structural diversity was screened for its antimicrobial activity the following bacterial and fungal strains: two Gram-positive bacteria [Staphylococcus aureus (MTCC-96), Streptococcus pyogenes (MTCC-442)], two Gram-negative bacteria [Escherichia coli (MTCC-443), Pseudomonas aeruginosa (MTCC-1688)] and three fungal species (C. albicans, A. niger and A. clavatus). Following this, in vitro cytotoxicity activity against HeLa cell lines was measured by MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide] assay. The observations derived from the diverse assays were utilized for building classification models based on a binary QSAR approach termed recursive partitioning (RP) analysis to probe the physic-chemical properties influencing the SAR for molecules. The decision tree derived from RP analysis could highlight structural characteristics that discriminate the actives from inactives which can serve as guide to design molecules with improved potency. In silico ADME predictions were performed to gauge their pharmacokinetic, safety and drug likeness profile.

}, keywords = {1, 3, 4-Oxadiazole, Antimicrobial activity, Cytotoxicity, Pyrazole, Pyridine, QSAR}, issn = {1054-2523}, doi = {10.1007/s00044-016-1511-4}, author = {Desai, N. C. and Kotadiya, G. M. and Trivedi, A. R. and Khedkar, Vijay M. and Jha, Prakash C.} } @article { ISI:000379431000015, title = {Synthesis of functionalized amino epoxides by a three-component coupling involving aziridines, arynes and aldehydes}, journal = {Chemical Communications}, volume = {52}, number = {58}, year = {2016}, month = {JAN}, pages = {9044-9047}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A transition-metal-free three-component coupling involving N-substituted aziridines, arynes and aldehydes resulting in the formation of trisubstituted N-aryl alpha-amino epoxides has been demonstrated. The reaction likely proceeds via the highly strained cyclic nitrogen ylide intermediates generated from aziridines and arynes.

}, issn = {1359-7345}, doi = {10.1039/c6cc00057f}, author = {Roy, Tony and Thangaraj, Manikandan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000372156200013, title = {Synthesis of Sn-containing anatase (TiO2) by sol-gel method and their performance in catalytic water splitting under visible light as a function of tin content}, journal = {Materials Letters}, volume = {171}, year = {2016}, month = {MAY}, pages = {50-54}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Sol-gel route was employed to prepare a series of Sn-containing anatase with different molar (Ti/Sn) ratios ranging from 49 to 1. Samples were characterized by powder XRD, UV-vis, XPS, SEM, EDAX, low temperature N-2 sorption technique and Raman Spectroscopy. Except anatase phase, no other crystalline phase was observed when Ti/Sn molar ratio was varied from 49 to 9 and for Sn free sample. However, further decrease in the ratio lead to the appearance of additional SnO2 phase whose peak intensities were increased with the increase in the tin content. Irrespective of tin content, all samples showed red-shift in UV-vis spectra. Moreover, samples showed Raman shift to higher vibration side from 143 cm(-1) to 147 cm(-1) indicating the doping of Sn2+ into TiO2. By virtue of low band gap, anatase crystallite size and an absence of XRD visible SnO2, ST (19) has shown maximum photocatalytic activity upon 1 wt\% Pt loading. It has exhibited the highest rate (0.1264 mmole/g/h) for visible light induced hydrogen evolution by water splitting. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Semiconductors, Sn2+ doped titania, SnO2/TiO2, Sol-gel preparation, visible light, water splitting}, issn = {0167-577X}, doi = {10.1016/j.matlet.2016.02.055}, author = {Tangale, N. P. and Niphadkar, P. S. and Samuel, V. and Deshpande, Suvarna S. and Joshi, P. N. and Awate, S. V.} } @article { ISI:000380968200060, title = {Syringic acid: structural elucidation and co-crystallization}, journal = {Crystal Growth \& Design}, volume = {16}, number = {8}, year = {2016}, month = {AUG}, pages = {4679-4687}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Syringic acid (SYRA) is a potential antioxidant used in traditional Chinese medicine and is an emerging nutraceutical. Current reports claim its potential anti-angiogenic, anti-glycating, anti-hyperglycaemic, neuroprotective, and memory-enhancing properties in various animal models. To date, SYRA crystal structure has not been elucidated, and no crystal engineering studies have been reported. This study reports the crystal structure of SYRA for the first time along with its nicotinamide (SNCT-E) and urea (SU-EA-M) co-crystals. All forms were successfully characterized using single crystal X-ray diffraction (XRD), powder XRD, and differential scanning calorimetry. Single crystal analysis revealed that SYRA crystallized in the C2/c space group, whereas SNCT-E (2:1) and SU-EA-M (1:2) crystallized in the P21/n and Cmca space group, respectively. Novel co-crystals have shown improved solubility, modified dissolution profiles, and improved flow and compressibility. Cytotoxic effects were explored in DU145 prostate cancer cell lines for the first time, and significant enhancement in cytotoxicity by the co-crystals was observed compared to plain components. A two-fold increase in \% cytotoxicity of SNCT-E was observed when compared to the corresponding physical mixture. These studies shed light on potential utility of SYRA as a coformer for various pharmaceutical applications to design synergistic and organ-protective co-crystals.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.6b00750}, author = {Thipparaboina, Rajesh and Mittapalli, Sudhir and Thatikonda, Sowjanya and Nangia, Ashwini and Naidu, V. G. M. and Shastri, Nalini R.} } @article { ISI:000381180000001, title = {Targeted quantification of N-1-(carboxymethyl) valine and N-1-(carboxyethyl) valine peptides of beta-hemoglobin for better diagnostics in diabetes}, journal = {Clinical Proteomics}, volume = {13}, year = {2016}, month = {MAR}, pages = {Article Number: 7}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: N-1-(Deoxyfructosyl) valine (DFV) beta-hemoglobin (beta-Hb), commonly referred as HbA1c, is widely used diagnostic marker in diabetes, believed to provide glycemic status of preceding 90-120 days. However, the turnover of hemoglobin is about 120 days, the DFV-beta-Hb, an early and reversible glycation product eventually may undergo irreversible advanced glycation modifications such as carboxymethylation or carboxyethylation. Hence quantification of N-1-(carboxymethyl) valine (CMV) and N-1-(carboxyethyl) valine (CEV) peptides of beta-Hb would be useful in assessing actual glycemic status. Results: Fragment ion library for synthetically glycated peptides of hemoglobin was generated by using high resolution-accurate mass spectrometry (HR/AM). Using parallel reaction monitoring, deoxyfructosylated, carboxymethylated and carboxyethylated peptides of hemoglobin were quantified in clinical samples from healthy control, pre-diabetes, diabetes and poorly controlled diabetes. For the first time, we report N-1-beta-valine undergoes carboxyethylation and mass spectrometric quantification of CMV and CEV peptides of beta-hemoglobin. Carboxymethylation was found to be the most abundant modification of N-1-beta-valine. Both CMV-beta-Hb and CEV-beta-Hb peptides showed better correlation with severity of diabetes in terms of fasting glucose, postprandial glucose and microalbuminuria. Conclusions: This study reports carboxymethylation as a predominant modification of N-1-beta-valine of Hb, and quantification of CMV-beta-Hb and CEV-beta-Hb could be useful parameter for assessing the severity of diabetes.

}, keywords = {Diabetes, Diagnosis, Glycation, Glycemic control, HbA1c, Mass spectrometry}, issn = {1542-6416}, doi = {10.1186/s12014-016-9108-y}, author = {Jagadeeshaprasad, Mashanipalya G. and Batkulwar, Kedar B. and Meshram, Nishita N. and Tiwari, Shalbha and Korwar, Arvind M. and Unnikrishnan, Ambika G. and Kulkarni, Mahesh J.} } @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 {43608, title = {Ultrahydrophobic fluorous metal-organic framework derived recyclable composite as apromising platform to tackle marine oil spills}, journal = {Chemistry-A European Journal}, volume = {22}, year = {2016}, month = {JUL}, pages = {10937-10943}, abstract = {Derived from a strategically chosen hexafluorinated dicarboxylate linker aimed at the designed synthesis of a superhydrophobic metal-organic framework (MOF), the fluorine-rich nanospace of a water-stable MOF (UHMOF-100) exhibits excellent water-repellent features. It registered the highest water contact angle (approximate to 176 degrees) in the MOF domain, marking the first example of an ultrahydrophobic MOF. Various experimental and theoretical studies reinforce its distinc-tive water-repellent characteristics, and the conjugation of superoleophilicity and unparalleled hydrophobicity of a MOF material has been coherently exploited to achieve real-time oil/water separation in recyclable membrane form, with significant absorption capacity performance. This is also the first report of an oil/water separating fluorinated ultrahydrophobic MOF-based membrane material, with potential promise for tackling marine oil spillages.}, doi = {10.1002/chem.201601724}, author = {Mukherjee, Soumya and Kansara, Ankit M. and Saha, Debasis and Gonnade, Rajesh and Mullangi, Dinesh and Manna, Biplab and Desai, Aamod V. and Thorat, Shridhar H. and Singh, Puyam S. and Mukherjee, Arnab and Ghosh, Sujit K.} } @article { ISI:000380241600003, title = {Ultrasound- and molecular sieves-assisted synthesis, molecular docking and antifungal evaluation of 5-(4-(benzyloxy)-substituted phenyl)-3-((phenylamino)methyl)-1,3,4-oxadiazole-2(3H)-thiones}, journal = {Molecules}, volume = {21}, number = {5}, year = {2016}, month = {MAY}, pages = {484}, publisher = {MDPI AG}, address = {ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND}, abstract = {

A novel series of 5-(4-(benzyloxy) substituted phenyl)-3-((phenyl amino) methyl)-1,3,4-oxadiazole-2(3H)-thione Mannich bases 6a-o were synthesized in good yield from the key compound 5-(4-(benzyloxy) phenyl)-1,3,4-oxadiazole-2(3H)-thione by aminomethylation with paraformaldehyde and substituted amines using molecular sieves and sonication as green chemistry tools. The antifungal activity of the new products was evaluated against seven human pathogenic fungal strains, namely, Candida albicans ATCC 24433, Candida albicans ATCC 10231, Candida glabrata NCYC 388, Cryptococcus neoformans ATCC 34664, Cryptococcus neoformans PRL 518, Aspergillus fumigatus NCIM 902 and Aspergillus niger ATCC 10578. The synthesized compounds 6d, 6f, 6g, 6h and 6j exhibited promising antifungal activity against the tested fungal pathogens. In molecular docking studies, derivatives 6c, 6f and 6i showed good binding at the active site of C. albicans cytochrome P450 enzyme lanosterol 14 alpha-demethylase. The in vitro antifungal activity results and docking studies indicated that the synthesized compounds have potential antifungal activity and can be further optimized as privileged scaffolds to design and develop potent antifungal drugs.

}, keywords = {1, 3, 4-oxadiazoles, Antifungal activity, Mannich reaction, Molecular docking, Molecular sieves, Ultrasound}, issn = {1420-3049}, doi = {10.3390/molecules21050484}, author = {Nimbalkar, Urja D. and Tupe, Santosh G. and Seijas Vazquez, Julio A. and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Nikalje, Anna Pratima G.} } @article { ISI:000371953000024, title = {Unraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {8}, year = {2016}, month = {FEB}, pages = {5910-5924}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Emerging nanotechnology has rapidly broadened interfacial prospects of biological molecules with carbon nanomaterials (CNs). A prerequisite for effectively harnessing such hybrid materials is a multifaceted understanding of their complex interfacial interactions as functions of the physico-chemical characteristics and the surface topography of the individual components. In this article, we address the origins of the curvature dependence of polypeptide adsorption on CN surfaces (CNSs), a phenomenon bearing an acute influence upon the behavior and activity of CN-protein conjugates. Our benchmark molecular dynamics (MD) simulations with the amphiphilic full-length amyloid beta (A beta) peptide demonstrate that protein adsorption is strongest on the concave (inner) CN-surface, weakest on the convex (outer) surface, and intermediary on the planar surface, in agreement with recent experimental reports. The curvature effects, however, are found to manifest non-uniformly between the amino acid subtypes. To understand the underlying interplay of the chemical nature of the amino acids and surface topography of the CNs, we performed high-level quantum chemical (QM) calculations with amino acid analogs (MA) representing their five prominent classes, and convex, concave and planar CN fragments. Molecular electrostatic potential maps reveal pronounced curvature dependence in the mixing of electron densities, and a resulting variance in the stabilization of the non-covalentty bound molecular complexes. Interestingly, our study revealed that the interaction trends of the high-level QM calculations were captured well by the empirical force field. The findings in this study have important bearing upon the design of carbon based bio-nanomaterials, and additionally, provide valuable insights into the accuracy of various computational techniques for probing non-bonded interfacial interactions.

}, issn = {1463-9076}, doi = {10.1039/c5cp04675k}, author = {Jana, Asis K. and Tiwari, Mrityunjay K. and Vanka, Kumar and Sengupta, Neelanjana} } @article {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 {43493, title = {Acetone and methanol fruit extracts of terminalia paniculata inhibit HIV-1 infection in vitro}, journal = {Natural Product Research}, volume = {31}, year = {2017}, month = {JAN}, pages = {1468-1471}, abstract = {In this study, we report the in vitro anti-HIV1 activity of acetone and methanol extracts of fruit of Terminalia paniculata. Cytotoxicity tests were conducted on TZM-bl cells and peripheral blood mononuclear cells (PBMC), the CC50 values of both the extracts were 260g/mL. Using TZM-bl cells, the extracts were tested for their ability to inhibit replication of two primary isolates HIV-1 (X4, Subtype D) and HIV-1 (R5, Subtype C). The activity against HIV-1 primary isolate (R5, Subtype C) was confirmed using activated PBMC and by quantification of HIV-1 p24 antigen. Both the extracts showed anti-HIV1 activity in a dose-dependent manner. The EC50 values of the acetone and methanol extracts of T. paniculata were 10.3g/mL. The enzymatic assays were performed to determine the mechanism of action which indicated that the anti-HIV1 activity might be due to inhibition of reverse transcriptase (77.7\% inhibition) and protease (69.9\% inhibition) enzymes. }, doi = {10.1080/14786419.2016.1258561}, author = {Durge, Ankita and Jadaun, Pratiksha and Wadhwani, Ashish and Chinchansure, Ashish A. and Said, Madhukar and Thulasiram, H. V. and Joshi, Swati P. and Kulkarni, Smita S.} } @article {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 {45684, title = {All-solid-state-supercapacitor possessing a non-aqueous gel polymer electrolyte prepared using a UV-assisted in situ polymerization strategy}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {MAY}, pages = { 8461-8476}, type = {Article}, abstract = {

In this work, we report the synthesis of a high ionic conducting and mechanically stable non-aqueous gel polymer electrolyte (GPE) in which a liquid electrolyte (LiClO4/propylene carbonate) is entrapped in a poly(2-hydroxy-3-phenoxy propyl acrylate) matrix by a UV assisted in situ polymerisation strategy. Unlike conventional dry and quasi-solid non-aqueous GPEs, our system (H-P-L-3M-80\%) shows an excellent ionic conductivity of 4.7 x 10(-3) S cm(-1), a value which is comparable to those of non-aqueous liquid electrolytes. The high mechanical stability of GPE arises due to the covalent cross-links present in the polymer matrix as well as the reversible non-covalent cross-links between the solvent and the polymer matrix through the Li+ cations. Subsequently, the GPE has been prepared in situ on the inner and the outer surface of the electrode material to fabricate a 2.0 V supercapacitor device with a high mass loading (3.8 mg cm(-2)) of the active material (YP-80F, a high surface area porous carbon). The device shows an equivalent series resistance (ESR) as low as 2.2 Omega, which is close to that of the device fabricated from the corresponding liquid electrolyte and is far better than those of the devices evolved from conventional GPEs and dry polymer electrolytes. The mass specific capacitance of 113 F g(-1) obtained at a current density of 2 mA cm(-2) shows 81\% retention even at a high current density of 20 mA cm(-2). The scalability of the strategy is demonstrated by fabricating a large area (area = 16 cm(2), loading = 4.0 mg cm(-2)) all-solid-state flexible-supercapacitor (H-P-L-3M-S-4.0) device which can be operated at a potential window of 2.5 V. The device was found to show a mass specific capacitance of 111 F g(-1) at a current density of 1 mA cm(-2) (0.25 A g(-1)), all the while, retaining a very low ESR of 2.2 Omega. The potential of the strategy to mimic the liquid-like electrode-electrolyte interface, augmented with the ability to tune further, opens up new horizons for energy storage devices.

}, doi = {10.1039/c7ta01514c}, author = {Vijayakumar, V. and Anothumakkool, B. and Torris, A. T. A. and Nair, S. B. and Badiger, M. V. and Kurungot, S.} } @article {43933, title = {Anti-microbial activity of chrysomycin a produced by streptomyces sp. against mycobacterium tuberculosis}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {JUL}, pages = {36335-36339}, type = {Article}, abstract = {Limited efficacy of the BCG (Bacillus Calmette{\textendash}Gu{\'e}rin) vaccine against adult tuberculosis and the emergence of resistance to existing anti-tuberculosis drugs compel discovery of novel antibiotics against Mycobacterium tuberculosis. Actinomycetes are still an attractive platform for the discovery of new antimicrobials, especially from untapped natural hotspots, despite the belief that they are an exhausted resource after repeated re-discoveries. Herein we report the isolation and identification of chrysomycin A from an actinomycete isolated from a coastal area in Kerala. We show for the first time that it has antimycobacterial activity. It was found to be bactericidal to planktonic and intracellular M. tuberculosis with an MIC of 3.125 μg mL$^{-}${\textonesuperior}; it is non-hemolytic and has negligible cytotoxicity. The actinomycete that produces chrysomycin A was found to be a Streptomyces sp. through 16S rRNA gene sequencing.}, doi = {10.1039/C7RA05576E}, author = {Balaji, Muralikrishnan and Dan, Vipin Mohan and Joseph, Vinodh and Jamsheena, Vellekkatt and Ramachandran, Ranjit and Thomas, Sabu and Dastager, Syed Gulam and Kumar, K. Santhosh and Lankalapalli, Ravi Shankar and Kumar, R. Ajay} } @article {45702, title = {Aromatic polyesters containing pendent 4-(phenylsulfonyl)phenyl groups: synthesis and characterization}, journal = {Journal of Polymer Research}, volume = {24}, year = {2017}, month = {MAR }, pages = {57}, type = {Article}, abstract = {

A new bisphenol, 1,1-bis-[(4-hydroxyphenyl)-1-(4-phenylsulfonyl) phenyl)] ethane (DPSBP) was synthesized starting from diphenylsulfide and was characterized by spectroscopic methods. DPSBP was polycondensed with isophthalic acid chloride (IPC), terephthalic acid chloride (TPC) and a mixture of IPC and TPC (50: 50 mol\%) by phase-transfer catalysed interfacial polymerization method to obtain aromatic polyesters containing pendent 4-(phenylsulfonyl)phenyl groups. A series of copolyesters was also obtained by polycondensation of varying molar proportions of DPSBP and bisphenol-A (BPA) with TPC. (Co) polyesters exhibited inherent viscosities in the range 0.56-1.57 dLg(-1) and number average molecular weights (Mn) were in the range 28,650-80,230 g/mol. Polyesters dissolved readily in common organic solvents such as dichloromethane, chloroform, tetrahydrofuran and aprotic polar solvents such as N-methylpyrrolidone, and N, N-dimethylacetamide. Tough, transparent and flexible films of polyesters could be cast from their chloroform solutions. X-Ray diffraction studies indicated amorphous nature of aromatic polyesters. Polyesters showed T-g values in the range 223-257 degrees C while T-10 values were in the range of 469-484 degrees C indicating their excellent thermal stability.

}, keywords = {Aromatic polyesters, Bulky pendent group, solubility, thermal stability}, issn = {1022-9760}, doi = {10.1007/s10965-017-1217-4}, author = {Bapat, Snehalata P. and Jadhav, Sushilkumar A. and Valsange, Nitin G. and Tawade, Bhausaheb V. and Honkhambe, Pandurang N. and Chavan, Nayaku N. and Wadgaonkar, Prakash P.} } @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 {43558, title = {Biocompatible superhydrophobic coating material for biomedical applications}, journal = {Journal of Sol-Gel Science and Technology}, volume = {81}, year = {2017}, month = {MAR}, pages = {791-796}, abstract = {Biomaterials and wettability have played a crucial role in the biocompatibility with a host matrix of body fluid and cells. We discuss designing superhydrophobic biomaterials for novel applications such as temporally implant, contact lenses, controlled drug release coatings, coating on medical instruments, etc. Such Superhydrophobic coating surfaces were created with the simple dip coating method by single step base catalyst sol-gel method. Methyltriethoxysilane/trimethoxymethylsilane-based deposition at different dip periods introduces interesting properties in the region, including superhydrophobicity, biocompatibility and transparency. This works reveal the impact of interaction bone marrow mesenchymal stem cells and surface free energy on the biocompatibility of superhydrophobic biomaterial.}, doi = {10.1007/s10971-016-4244-4}, author = {Mahadik, Satish A. and Pedraza, F. and Mahadik, Sarika S. and Relekar, Brahmanand P. and Thorat, Sagar S.} } @article {43838, title = {Bronsted acid catalyzed enantioselective pericyclic reactions}, journal = {Tetrahedron}, volume = {73}, year = {2017}, month = {JUL}, pages = {4023-4038}, type = {Article}, abstract = {Pericyclic reactions can be challenging processes to render asymmetric, due to the concerted and non polar nature of the transition states. Several examples have been reported in which a suitable catalyst binds to a heteroatom-containing substituent in the substrate and accelerates the reaction rate. The requirement of coordinating functionalized substrates has limited the generality of such asymmetric transformations. Multifunctional Bronsted acids are promising catalysts that represent a new paradigm in asymmetric pericyclic reactions. These chiral catalysts rely on multiple non-covalent interactions in the transition state for asymmetric induction, which has been utilized to activate more general substrate classes. In this review, we will cover recent advances in Bronsted acid catalyzed pericyclic reactions and discuss the impact of catalyst design on the expansion of substrate scope for highly enantioselective processes. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tet.2017.02.059}, author = {Sleet, Christopher E. and Tambar, Uttam K. and Maity, Pradip} } @article {44093, title = {Camptothecin-producing endophytic bacteria from pyrenacantha volubilis hook. (Icacinaceae): a possible role of a plasmid in the production of camptothecin}, journal = {Phytomedicine}, volume = {36}, year = {2017}, month = {DEC}, pages = {160-167}, type = {Article}, abstract = {Background: Camptothecin (CPT), a quinoline alkaloid, is a potent inhibitor of eukaryotic topoisomerase I. Because of this property, several derivatives of CPT are used as chemotherapeutic agents. CPT is produced by several plant species belonging to the Asterid clade as well as by a number of endophytic fungal associates of these plants. In this study, we report the production of CPT by four bacterial endophytes and show the possible role of a plasmid in the biosynthesis of CPT. Methods: Endophytic bacteria were isolated from leaves, stems and fruits of Pyrenacantha volubilis Hook. (Icacinanceae). The bacterial isolates were purified and analyzed for production of CPT by ESI-MS/MS and NMR analysis. Bacterial identity was established based on the morphology and 16s rRNA sequence analysis. Crude extracts of the bacterial endophytes were evaluated for their cytotoxicity using colon cancer cell lines. The role of plasmid in the production of CPT was studied by purging the plasmid, using acriflavine, as well as reconstituting the bacteria with the plasmid. Results: Four bacterial isolates, Bacillus sp. (KP125955 and KP125956), Bacillus subtilis (KY741853) and Bacillus amyloliquefaciens (KY741854) were found to produce CPT in culture. Both based on ESI-MS/MS and NMR analysis, the identity of CPT was found to be similar to that produced by the host plant. The CPT was biologically active as evident by its cytotoxicity against colon cancer cell line. The production of CPT by the endophyte (Bacillus subtilis, KY741853) attenuated with sub-culture. A likely role of a plasmid in the production of CPT was established. A 5 kbp plasmid was recovered from the bacteria. Bacterial isolate cured of plasmid failed to produce CPT. Conclusion: Our study implies a possible role of a plasmid in the production of CPT by the endophytic bacteria and opens up further work to unravel the exact mechanisms that might be involved.}, doi = {10.1016/j.phymed.2017.09.019}, author = {Soujanya, K. N. and Siva, R. and Kumara, P. Mohana and Srimany, Amitava and Ravikanth, G. and Mulani, F. A. and Aarthy, T. and Thulasiram, H. V. and Santhoshkumar, T. R. and Nataraja, Karaba N. and Shaanker, R. Uma} } @article {43340, title = {Carboxymethyl cellulose-grafted mesoporous silica hybrid nanogels for enhanced cellular uptake and release of curcumin}, journal = {Gels}, volume = {3}, year = {2017}, month = {FEB}, abstract = {

Mesoporous silica nanoparticles (MSNs) with ordered pore structure have beensynthesized and used as carriers for the anticancer drug curcumin. MSNs were functionalizedwith amine groups and further attached with carboxymethyl cellulose (CMC) using 1-ethyl-3-(3-dimethylaminopropyl)-carbodiimide (EDC) coupling chemistry, which increased the hydrophilicityand biocompatibility of MSNs. The functionalized MSNs (MSN-NH2and MSN-CMC) werecharacterized using Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM),Dynamic Light Scattering (DLS), N2adsorption, X-Ray Diffraction (XRD), Thermo GravimetricAnalysis (TGA) and Fourier Transform Infrared Spectroscopy (FT-IR). Thein vitrorelease of curcuminfrom the {\textendash}NH2and CMC functionalized MSNs (MSN-cur-NH2and MSN-cur-CMC) was performedin 0.5\% aqueous solution of sodium lauryl sulphate (SLS). The effect of CMC functionalization ofMSNs towards cellular uptake was studied in the human breast cancer cell line MDA-MB-231 andwas compared with that of MSN-NH2and free curcumin (cur). Both MSN-NH2and MSN-CMCshowed good biocompatibility with the breast cancer cell line. The MTT assay study revealedthat curcumin-loaded MSN-cur-CMC showed better uptake as compared to curcumin-loadedMSN-cur-NH2. Free curcumin was used as a control and was shown to have much less internalizationas compared to the curcumin-loaded functionalized MSNs due to poor bioavailability. Fluorescencemicroscopy was used to localize the fluorescent drug curcumin inside the cells. The workdemonstrates that CMC-functionalized MSNs can be used as potential carriers for loading and releaseof hydrophobic drugs that otherwise cannot be used effectively in their free form for cancer therapy.

}, doi = {10.3390/gels3010008}, author = {Tiwari, Neha and Nawale, Laxman U. and Sarkar, Dhiman and Badiger, Manohar V.} } @article {43831, title = {Catalytic conversion of biomass}, journal = {Chemcatchem}, volume = {9}, year = {2017}, month = {JUL}, pages = {2613-2614}, type = {Article}, doi = {10.1002/cctc.201700884}, author = {Dhepe, Paresh and Tomishige, Keiichi and Wu, Kevin C. -W.} } @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 {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 {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 {45686, title = {Copper oxide supported on three-dimensional ammonia-doped porous reduced graphene oxide prepared through electrophoretic deposition for non-enzymatic glucose sensing}, journal = {Electrochimica Acta}, volume = {224}, year = {2017}, month = {JAN}, pages = {346-354}, type = {Article}, abstract = {The paper reports on the preparation of N-doped porous reduced graphene oxide/copper oxide (ammonia-doped-prGO/CuO) nanocomposite on gold electrodes using electrophoretic deposition (EPD) from an ethanolic suspension of ammonia-doped-prGO and Cu(ClO4)(2) by applying a DC voltage. The ammonia-doped-prGO/CuO nanocomposite film thickness is controlled by varying the deposition time. Morphological analysis using scanning electron microscopy (SEM) showed the formation of a 3 dimensional structure with CuO nanoparticles being homogeneously embedded in the graphene layer. Xray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and Raman analysis revealed that the deposited copper was in its oxidized form, mainly CuO. The Au/ammonia-doped-prGO/CuO electrode was successfully applied for non-enzymatic amperometric detection of glucose. Under optimized conditions, the electrode exhibited a sensitivity of 1210 mu mM(-1) cm(-2) with a detection limit of 0.25 p,M (S/N =3) over a wide concentration range (0.25 mu M to 6 mM) at an applied potential of +0.50 V vs. Ag/AgCl. The electrode material displayed good stability, excellent selectivity, and accurate measurement in healthy and diabetic human serum samples. }, doi = {10.1016/j.electacta.2016.12.078}, author = {Maaoui, H. and Singh, S. K. and Teodorescu, F. and Coffinier, Y. and Barras, A. and Chtourou, R. and Kurungot, S. and Szunerits, S. and Boukherroub, R.} } @article {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 {44003, title = {CuCo2O4 nanowall morphology as Li-ion battery anode: Enhancing electrochemical performance through stoichiometry control}, journal = {Materials Research Bulletin}, volume = {90}, year = {2017}, month = {JUN}, pages = {303-310}, type = {Article}, abstract = {

We have employed template-free synthesis of CuCo2O4 (CCO) system to achieve unique ultrathin porous nanowall type morphology, and evaluated for Li-Ion battery anode application. We observe that under the hydrothermal growth a starting stoichiometric mixture of cationic precursor{\textquoteright}s leads to a bi-phasic constitution comprising of defect-spinel CCO and a small quantity of CuO. Use of the excess but optimum cobalt in the precursor mix leads to single phase defect-spinel. We have carefully examined the implications of off-stoichiometry for different cases of interest (including the case of Cu-excess) for morphology, microstructure, the physical/electrochemical properties, and the evolution of the Li-ion battery anode under cycling for different active materials loading. In case of optimum Cu excess based CCO renders an impressive performance as Li-ion battery anode with high rate performance, 836 mAh g-1 and 757 mAh g-1 at 1.25C and 2.5C, respectively, and good cycling stability. {\textcopyright} 2016 Elsevier Ltd

}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2016.12.014}, author = {Bhardwaj, M. and Suryawanshi, A. and Fernandes, R. and Tonda, S. and Banerjee, A. and Kothari, D. and Ogale, S.} } @article {45763, title = {Cyclization mechanism of phomopsene synthase: mass spectrometry based analysis of various site-specifically labeled terpenes}, journal = {Journal of Antibiotics}, volume = {70}, year = {2017}, month = {MAY}, pages = {632-638}, type = {Article}, abstract = {

Elucidation of the cyclization mechanism catalyzed by terpene synthases is important for the rational engineering of terpene cyclases. We developed a chemoenzymatic method for the synthesis of systematically deuterium-labeled geranylgeranyl diphosphate ( GGPP), starting from site-specifically deuterium-labeled isopentenyl diphosphates (IPPs) using IPP isomerase and three prenyltransferases. We examined the cyclization mechanism of tetracyclic diterpene phomopsene with phomopsene synthase. A detailed EI-MS analysis of phomopsene labeled at various positions allowed us to propose the structures corresponding to the most intense peaks, and thus elucidate a cyclization mechanism involving double 1,2-alkyl shifts and a 1,2-hydride shift via a dolabelladien-15-yl cation. Our study demonstrated that this newly developed method is highly sensitive and provides sufficient information for a reliable assignment of the structures of fragmented ions.

}, issn = {0021-8820}, doi = {10.1038/ja.2017.27}, author = {Shinde, Sandip S. and Minami, Atsushi and Chen, Zhi and Tokiwano, Tetsuo and Toyomasu, Tomonobu and Kato, Nobuo and Sassa, Takeshi and Oikawa, Hideaki} } @article {43981, title = {Data on the effect of oral feeding of Arachidonic acid or Docosahexanoic acid on haematopoiesis in mice}, journal = {Data in Brief}, volume = {14}, year = {2017}, month = {OCT}, pages = {551-557}, type = {Journal Article}, abstract = {

Stem cells have peculiar property to self-renew and differentiate. It is important to control their fate in safe and effective ways for their therapeutic use. The mediators of essential polyunsaturated fatty acids (PUFAs) namely Arachidonic acid (AA) and Docosahexanoic acid (DHA) are known to play a role in haematopoiesis via various metabolic pathways [1]. However the direct effect of purified AA or DHA on haematopoiesis has not been well investigated yet. We have reported that oral administration of PUFAs enhanced haematopoiesis in mice [2]. Signaling Leukocyte Antigen Molecule (SLAM) (CD48-CD150+) phenotype consists of pure population of haematopoietic stem cells (HSCs). Herein we observed higher percentage of SLAM (CD48-CD150+) phenotype in the bone marrow (BM) cells of mice fed with AA or DHA compared to PBS fed control mice. Data from engraftment study depicts that BM from AA/DHA-fed mice showed higher absolute number of donor cells in recipient mice compared to control. The enhanced hematopoiesis observed in AA/DHA-fed mice was returned to normal when the mice were kept on normal diet for six weeks (after ten days of oral feeding). We confirmed GCMS (Gas Chromatography-Mass Spectroscopy) retention times of AA and DHA by co-injecting fatty acid extract from AA or DHA fed mice with purified AA or DHA standards respectively. Representative flow cytometry profile of Lin-Sca-1+c-kit+(LSK) cells showed higher expression of CXCR4 protein and ligands of Wnt, Notch1 signaling in BM of AA/DHA-fed mice

}, doi = {10.1016/j.dib.2017.08.009}, author = {Limbkar, K.}, editor = {Dhenge, A.,} } @inbook {45805, title = {Defluoridation of drinking water using fe-al mixed metal hydroxides}, booktitle = { Novel Water Treatment and Separation Methods: Simulation of Chemical Processes}, year = {2017}, pages = {77-100}, edition = {1st}, chapter = {Defluoridation of drinking water using fe-al mixed metal hydroxides}, abstract = {In this chapter, we report findings from study carried out on removal of fluoride from drinking or potable water using Fe-Al mixed metal hydroxides. For experimental analysis, the product mixed Fe-Al hydroxides was prepared by applying a co-precipitation method. The resulting metal hydroxide was thoroughly characterized using analytical tests of X-ray diffraction (XRD), scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) surface area analysis. In order to characterize the equilibrium behavior of adsorbent, we study experimentally the effects of different operating parameters. The selected parameters for analysis are adsorbent loading, initial fluoride concentration, pH of the solution, and interfering ions (usually present in groundwater). The equilibrium adsorption data was later fitted for Langmuir adsorption isotherm, and experimental observations show a maximum fluoride adsorption capacity of 2.05 mg.g-1. The experimental results reveal that the adsorption dynamics follows a pseudo-second-order kinetic model.}, isbn = {978-177188578-2}, doi = {10.1201/9781315225395}, author = {Telang, T. and Deosarkar, M.P. and Shetty, R. and Kamble, S.P.} } @article {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 {43853, title = {Development of metarhizium anisopliae as a mycoinsecticide: from isolation to field performance}, journal = {Jove-Journal of Visualized Experiments}, year = {2017}, month = {JUL}, pages = {Article Number: e55272}, type = {Article}, abstract = {A major concern when developing commercial mycoinsecticides is the kill speed compared to that of chemical insecticides. Therefore, isolation and screening for the selection of a fast-acting, highly virulent entomopathogenic fungus are important steps. Entomopathogenic fungi, such as Metarhizium, Beauveria, and Nomurea, which act by contact, are better suited than Bacillus thuringiensis or nucleopolyhedrosis virus (NPV), which must be ingested by the insect pest. In the present work, we isolated 68 Metarhizium strains from infected insects using a soil dilution and bait method. The isolates were identified by the amplification and sequencing of the ITS1-5.8S-ITS2 and 26S rDNA region. The most virulent strain of Metarhizium anisopliae was selected based on the median lethal concentration (LC50) and time (LT50) obtained in insect bioassays against III-instar larvae of Helicoverpa armigera. The mass production of spores by the selected strain was carried out with solid-state fermentation (SSF) using rice as a substrate for 14 days. Spores were extracted from the sporulated biomass using 0.1\% tween-80, and different formulations of the spores were prepared. Field trials of the formulations for the control of an H. armigera infestation in pigeon peas were carried out by randomized block design. The infestation control levels obtained with oil and aqueous formulations (78.0\% and 70.9\%, respectively) were better than the 63.4\% obtained with chemical pesticide.}, doi = {10.3791/55272}, author = {Tupe, Santosh G. and Pathan, Ejaj K. and Deshpande, Mukund V.} } @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 {45810, title = {Effect of phytase and FYM on soil enzyme activities, microbial population and nutrient availability of non-calcareous soil}, journal = {Journal of the Indian Society of Soil Science}, volume = {65}, year = {2017}, month = {JUN}, pages = {222-229}, type = {Article}, abstract = {A pot culture experiment was conducted to assess the effect of phytase and FYM levels on soil enzyme activities and nutrient availability of non-calcareous soil under soybean cultivation. The treatment consisted of four levels of phytase (0, 1200, 2400 and 3600 IU) and FYM (0, 2.5, 5.0 and 7.5 t ha-1). Enzyme activities and nutrient availability in soil was assessed at 50\% flowering and harvest of soybean. It was observed that application of phytase @ 3600 IU recorded significantly higher acid and alkaline phosphatase and dehydrogenase activity at both the growth stages of soybean. Results revealed that significant interaction effect with combine application of phytase @ 3600IU and FYM @ 7.5 t ha-1 recorded higher bacterial, fungal and actinomycetes population. Combined application of phytase @ 3600 IU and FYM @ 7.5 t ha-1 recorded significantly higher available nitrogen (289.3 and 213.6 kg ha-1) and potassium (295.0 and 270.6 kg ha-1) at 50\% flowering and at harvest of soybean, respectively. However, in case of phosphorus (P), at 50\% flowering significantly higher available P was recorded with phytase @ 3600 IU + 7.5 t ha-1 (23.9 kg ha-1). Reduction trend obtained for calcium carbonate content from 4.24 to 3.68\% at 50\% flowering and from 4.20 to 3.60\% at harvest stage was obtained with the application of phytase @ 3600 IU. This study suggest that application of phytase in combination with manure substantially improves soil biological activities as well as better nutrient supply to crop.}, issn = {0019638X}, doi = {10.5958/0974-0228.2017.00025.1}, author = {Jadhav, A.B. and Suradkar, R. and Taggu, B. and Tamboli, B.D. and Priyanka, B.} } @article {44004, title = {Electron{\textendash}nucleus scalar{\textendash}pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework}, journal = {Molecular Physics}, year = {2017}, month = {MAY}, chapter = {1-6}, abstract = {

The scalar{\textendash}pseudoscalar interaction constant of PbF in its ground state electronic configuration is calculated using the Z-vector method in the relativistic coupled-cluster framework. The precise calculated value is very important to set upper bound limit on (Formula presented.)-odd scalar{\textendash}pseudoscalar interaction constant, ks, from the experimentally observed (Formula presented.)-odd frequency shift. Further, the ratio of the effective electric field to the scalar{\textendash}pseudoscalar interaction constant is also calculated which is required to get an independent upper bound limit of electric dipole moment of electron, de, and ks and how these (de and ks) are interrelated is also presented here. {\textcopyright} 2017 Informa UK Limited, trading as Taylor \& Francis Group

}, author = {Sasmal, S. and Talukdar, K. and Nayak, M.K. and Vaval, N. and Pal, S.} } @article {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 {43317, title = {Exploiting directional long range secondary forces for regulating electrostatics dominated noncovalent interactions}, journal = {Chemical Science}, volume = {8}, year = {2017}, month = {JAN}, pages = {1378-1390}, abstract = {

It has been well established that long range secondary electrostatic interactions (SEIs) have a significant effect on the stability of supramolecular complexes. However, general rules for exploiting SEIs in the rational design of diverse supramolecular complexes have been difficult to obtain. In this work, we outline a quantum chemical approach for understanding the strength of electrostatic interactions. This approach is seen to provide excellent correlation between the electrostatic force and the binding energy between two partners in hydrogen-bonded complexes, as well as that between two ions in ion-pair complexes. Furthermore, we illustrate how the understanding of the binding allows for the rational design of new complexes where the association constant between the two partners can be increased or decreased, as desired, by several orders of magnitude. Hence, the current work showcases a general, simple and powerful method of understanding and exploiting long range secondary electrostatic interactions.

}, doi = {10.1039/C6SC03642B}, author = {Tiwari, Mrityunjay and Vanka, Kumar} } @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 {43970, title = {Fabrication, characterization and comparison of DSSC using anatase TiO 2 synthesized by various methods}, journal = {Advanced Powder Technology}, year = {2017}, month = {SEP}, type = {Article}, abstract = {In this study, anatase TiO2 nanoparticles were synthesized by three techniques, namely, sol-gel, acid-base co-catalyst and room temperature colloidal methods. The synthesized materials were characterized by X-ray diffraction, scanning electron microscopy, pore diameter, pore volume and surface area. The dye-sensitized solar cells were fabricated using the synthesized materials and characterized for incident photon to current conversion efficiency, photocurrent density to photo voltage measurement and electrochemical impedance analysis. Among the studied materials, TiO2 synthesized by sol-gel method displayed highest photon to current conversion of 76.8\% and a maximum solar cell efficiency of 7.85\% with Jsc of 14.75mA/cm{\texttwosuperior}, Voc of 0.76V and FF of 0.7. This is the first study to report a high power conversion efficiency of DSSC using a sol-gel synthesized titania and its comparison with other two synthesized materials. The high power conversion efficiency of the solar cell using TiO2 synthesized by sol-gel method is attributed to its characteristic properties such high surface area, larger pore diameter and larger pore volume and highest dye loading capacity.}, doi = {10.1016/j.apt.2017.08.012}, author = {Umale, Sanjivani V. and Tambat, Sneha N. and Vediappan, Sudhakar and Sontakke, Sharad M. and Krishnamoorthy, Kothandam} } @article {44177, title = {Facile one-pot multi-component synthesis of spirooxindoles and 3, 3 {\textquoteleft}-disubstituted oxindoles via sp(3) C-H activation/functionalization of azaarenes}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {SEP}, pages = {9147-9152}, type = {Article}, abstract = {

A novel one-pot multicomponent reaction (MCR) protocol has been demonstrated for the first time for sustainable and facile synthesis of spirooxindoles and 3, 3 {\textquoteleft}-disubstituted oxindoles in an excellent yield via sp(3) C-H activation/functionalization of 2-methyl azaarenes and (2-azaaryl)methanes with isatin, active methylene compounds using eco-friendly heterogeneous, reusable silica-supported dodecatungstophosphoric acid (DTP/SiO2) catalyst.

}, keywords = {3, 3{\textquoteright}-disubstituted oxindoles, azaarenes, silica-supported dodecatungstophosphoric acid (DTP/SiO2) catalyst, sp(3) C-H activation/functionalization, spirooxindoles}, issn = {2365-6549}, doi = {10.1002/slct.201701507}, author = {Pathan, Mohsinkhan Y. and Chavan, Santosh S. and Shaikh, Taufeekaslam M. Y. and Thorat, Shridhar H. and Gonnade, Rajesh G. and Mulla, Shafeek A. R.} } @article {44015, title = {Facile synthesis and electrochemical evaluation of PANI/CNT/MoS2 ternary composite as an electrode material for high performance supercapacitor}, journal = {Materials Science and Engineering B: Solid-State Materials for Advanced Technology}, volume = {23}, year = {2017}, month = {SEP}, pages = { 24-34}, type = {Journal Article}, abstract = {Synthesis of a novel ternary composite consisting of polyaniline (PANI), functionalized multi-walled carbon nanotubes (CNTs) and molybdenum disulfide (MoS2), via an in-situ polymerization method is reported. Detailed structural and electrochemical characterization shows that incorporation of a small amount of MoS2 in PANI/CNT composite tends to eliminate agglomeration problem of CNT. The PANI/CNT/MoS2 ternary composite reaches a specific capacitance of 350 F/g at the current density 1 A/g corresponding to a 5\% MoS2 content. This ternary composite shows good cycling stability even at a higher energy density of 10 A/g. Further, PANI/CNT/MoS2 composite electrode shows higher energy density (7.77 Wh/kg) and power density (2140 W/kg) as compared to PANI/CNT composite without MoS2.}, keywords = {MoS2, polyaniline, supercapacitor, Ternary Composite}, doi = {10.1016/j.mseb.2017.05.001}, author = {Thakur, A.K. and Deshmukh, A. B. and Choudhary, R. B. and Karbhal, I. and Majumder, M. and Shelke, M.V.} } @inbook {45817, title = {Fungal differentiation: a model phenomenon to screen antifungal drugs}, booktitle = {Developments in Fungal Biology and Applied Mycology}, year = {2017}, pages = { 227-246}, publisher = {Springer}, organization = {Springer}, chapter = {Fungal differentiation: A model phenomenon to screen antifungal drugs}, address = {Singapore}, abstract = {Pathogenic fungi change the morphology to a suitable vegetative form such as unicellular yeast or filamentous mycelium for the survival and proliferation in the host as well as to defeat cellular and physiological defences of the host. The microenvironment of the pathogen triggers different biochemical processes finally leading to differentiation. These biochemical processes, which correlate with morphological change from saprophytic/less virulent to pathogenic form, can be targeted for the development of novel antifungal agents. The present chapter deals with the role of differentiation in fungal pathogenesis and discusses different biochemical events as target for the antifungal strategies.}, isbn = {978-981-10-4767-1}, doi = {10.1007/978-981-10-4768-8_12}, author = {Pathan, E.K. and Tupe, S.G. and Deshpande, M.V.} } @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 {43918, title = {Genetic programming based drag model with improved prediction accuracy for fluidization systems}, journal = {International journal of Chemical Reactor Engineering}, volume = {15}, year = {2017}, month = {APR}, issn = {2016-0210}, doi = {10.1515/ijcre-2016-0210}, author = {Sonolikar, R. R. and Patil, M. P. and Mankar, R. B. and Tambe, S. S. and Kulkarni, B. D.} } @article {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 {43804, title = {Healable network polymers bearing flexible poly(Lauryl Methacrylate) chains via thermo-reversible furan-maleimide diels-alder reaction}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {55}, year = {2017}, month = {AUG}, pages = {2700-2712}, type = {Article}, abstract = {A new ATRP initiator containing two furyl rings, namely, bis(furan-2-ylmethyl) 2-bromopentanedioate was synthesized starting from commercially available L-glutamic acid as a precursor. Well-defined bisfuryl-terminated poly(lauryl methacrylate) macromonomers with molecular weight and dispersity in the range 5000-12,000 g mol(-1) and 1.30-1.37, respectively, were synthesized employing the initiator by atom transfer radical polymerization (ATRP). Independently, 1,1{\textquoteright},1"(nitrilotris(ethane-2,1-diyl)) tris(1H-pyrrole-2,5-dione) was synthesized as a tris-maleimide counterpart for furan-maleimide click reaction. Thermo-reversible network polymer bearing flexible poly(lauryl methacrylate; (PLMA) chains was obtained by furan-maleimide Diels-Alder click reaction of bisfurylterminated PLMA with 1,1{\textquoteright},1"-(nitrilotris(ethane-2,1-diyl)) tris(1Hpyrrole-2,5-dione). The prepared network polymer showed retro-Diels-Alder reaction in the temperature range 110-170 degrees C as determined from DSC analysis. The presence of low Tg (-40 degrees C) PLMA chains induced chain mobility to the network structure which led to the complete scratch healing of the coating at 60 degrees C in five days due to furan-maleimide adduct formation. The storage modulus of the network polymer was found to be 3.7 x 10(4) Pa at the constant angular frequency of 5 rad/ sec and strain of 0.5\%. The regular reversal of storage (G0) and loss modulus (G") was observed with repeated heating (40 to 110 degrees C) and cooling cycles (110 to 40 degrees C) at constant angular frequency and strain. (C) 2017 Wiley Periodicals, Inc.}, keywords = {ethane, Monomers, polymerization}, doi = {10.1002/pola.28677}, author = {Patil, Sachin S. and Torris, Arun and Wadgaonkar, Prakash P.} } @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.} } @inbook {45822, title = {Hydrogen bonding in molecular crystals}, booktitle = {Comprehensive Supramolecular Chemistry II}, volume = {7}, year = {2017}, pages = {25-48}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, chapter = {Hydrogen Bonding in Molecular Crystals}, address = {Singapur}, abstract = {The hydrogen bond is an important intermolecular interaction in chemical, biological, and materials systems. A proper understanding of noncovalent interactions, notably hydrogen bonds between molecules in supramolecular aggregates, is essential for the design of crystalline materials and new supramolecular systems with desired physical and chemical properties. The International Union of Pure and Applied Chemistry provided a broadly acceptable and yet fairly precise definition of the hydrogen bond in 2011. Knowledge of weak intermolecular interactions and hydrogen bonding has immediate applications in the discovery of new medicines and in the development of novel and biocompatible pharmaceutical products and implants for the next wave of innovations. In this article, we summarize a tutorial background of the hydrogen-bond interaction and then present examples of molecular crystals sustained by this interaction and the role of hydrogen bonding in directing the structural organization. The examples are meant to illustrate the different facets of hydrogen bonding in crystal structures, their design, and properties. We close with some of the new techniques for structure determination for very small or weakly diffracting crystals, as is often the case for supramolecular materials and pharmaceutical products.}, isbn = {978-012803199-5}, doi = {10.1016/B978-0-12-409547-2.12598-3}, author = {Thakuria, R. and Sarma, B. and Nangia, A.} } @article {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 {43925, title = {Impact of rare-earth metal oxide (Eu 2 O 3 ) on the electrochemical properties of a polypyrrole/CuO polymeric composite for supercapacitor applications}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {MAR}, pages = {20037-20048}, type = {Article}, abstract = {A ternary composite of polypyrrole/copper oxide/europium oxide (PPY/CuO/Eu2O3), synthesized via a facile in situ chemical oxidative polymerization method, exhibits the maximum specific capacitance of 320 F g$^{-}${\textonesuperior} at the current density of 1 A g$^{-}${\textonesuperior}. Incorporation of the rare-earth metal oxide Eu2O3 in the PPY/CuO matrix can promote charge transportation in the resulting ternary nanocomposite by enhancing the porosity. The interconnected mesoporous networks reduce the internal resistance and the charge transfer resistance (Rct) of the composite electrode material. Moreover, the incorporation of Eu2O3 in the PPY/CuO provides support to the fragile polymer backbone resulting in an excellent cycle stability and a markedly enhanced thermal stability. These together with the exhibition of an excellent coulombic efficiency demonstrates that incorporation of rare earth metal oxide can play a significant role in improving the performance of a polymeric composite opted as an electrode material for high-performance supercapacitor.}, doi = {10.1039/C7RA01438D}, author = {Majumder, Mandira and Choudhary, Ram Bilash and Thakur, Anukul. K. and Karbhal, Indrapal} } @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 {43805, title = {Kinetic profile and catalytic activity of transition metal-based ionic liquids for reduction of nitroarenes via in situ formation of nanoparticles}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {AUG}, pages = {6833-6843}, type = {Article}, abstract = {

The experimentally determined apparent rate constant (k(app)) shows that the [BmIm](2)[PdCl4] and [BmIm](2)[NiCl4] act as effective catalysts for the reduction of nitroarenes to aminoarenes in the presence of NaBH4. The TEM, XPS, XRD and dynamic light scattering studies show that there is in situ formation of Pd and Ni metal Nanoparticles (NPs) from the reduction of [BmIm](2)[PdCl4] and [BmIm](2)[NiCl4], respectively which are responsible for the enhancement in the catalytic activity. Thus, in the presence of the ionic liquid stabilized metal NPs show higher catalytic activity in comparison to the NPs stabilized with other capping agents as reported. The order of k(app) as 1) PNP \> 2-BrPNP \> 2-APNP and 2) PNP \> ONP \> 2-NR for reduction of nitroarenes using [BmIm](2)[PdCl4] and [BmIm](2)[NiCl4] and its correlation explained on the basis of electronic structure and hydrogen bonding ability of nitroarenes. The thermodynamic parameters such as E-a, Delta H-$\#$, Delta S-$\#$ and Delta G($\#$) are in agreement with the surface catalyzed reduction reaction of PNP in the presence of NPs as catalyst. The kapp values illustrated the reduction reaction follow the LangmuirHinshelwood (L-H) mechanism.

}, doi = {10.1002/slct.201701601}, author = {Thawarkar, Sachin R. and Khupse, Nageshwar D. and Kumar, Anil} } @article {45770, title = {Kocuria indica sp. nov., isolated from a sediment sample (vol 64, pg 869, 2014)}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {67}, year = {2017}, month = {MAY}, pages = {1620}, type = {Correction}, chapter = {1620}, issn = {1466-5026}, doi = {10.1099/ijsem.0.002077}, author = {Dastager, Syed G. and Tang, Shan-Kun and Srinivasan, Krishnamurthi and Lee, Jae-Chan and Li, Wen-Jun} } @article {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 {44140, title = {Methylglyoxal attenuates insulin signaling and downregulates the enzymes involved in cholesterol biosynthesis}, journal = {Molecular Biosystems}, volume = {13}, year = {2017}, month = {NOV}, pages = {2338-2349}, type = {Article}, abstract = {

Methylglyoxal (MG) is a highly reactive dicarbonyl known to be elevated under the hyperglycemic conditions of diabetes and is implicated in the development of diabetic complications. Therefore, the current study investigates the role of MG in exacerbating insulin resistance at the insulin signaling level, as well as its effect on the global proteomic level. By using insulin sensitive rat muscle cells (L6) and Chinese hamster ovary (CHO) cells stably expressing the insulin receptor (IR) and a glucose transporter fused with green fluorescent protein (GLUT4-GFP), we have observed that MG impairs insulin signaling, inhibits GLUT4 translocation and reduces glucose uptake. SWATH MS analysis, a label-free quantitative mass spectrometric approach, showed altered expression of 99 proteins out of 2404 identified in response to MG treatment. These proteins are mainly involved in stress response, protein folding and proteolysis. Some of the deregulated proteins such as thioredoxin 2, glutathione S transferase, T complex protein 1 subunit beta (tcbp1), heat shock protein 90 and E3 ubiquitin ligase were previously reported to be associated with either diabetes or insulin resistance. Interestingly, aminoguanidine (AMG), a potent dicarbonyl scavenger, restored the deleterious effects of MG. For the first time, we report that MG induces downregulation of enzymes involved in cholesterol biosynthesis such as acetyl-CoA acetyltransferase, hydroxymethylglutaryl-CoA synthase, farnesyl pyrophosphate synthetase, squalene monooxygenase, and lanosterol synthase. GC MS analysis for sterol metabolites corroborated the proteomic results; MG significantly reduced cholesterol production whereas AMG treatment restored cholesterol production to levels similar to the control. Thus, MG leads to primary defects in insulin signaling and cellular abnormalities at the proteomic and metabolic levels, both of which may contribute to the development of insulin resistance.

}, doi = {10.1039/c7mb00305f}, author = {Deshmukh, Arati B. and Bai, Shakuntala and Aarthy, T. and Kazi, Rubina S. and Banarjee, Reema and Rathore, Rajeshwari and Vijayakumar, M. V. and H. V. Thulasiram and Bhat, Manoj Kumar and Kulkarni, Mahesh J.} } @article {44020, title = {Microvirga indica sp. Nov., an arsenite-oxidizing alphaproteobacterium, isolated from metal industry waste soil}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {67}, year = {2017}, month = {SEP}, pages = {3525-3531}, type = {Journal Article}, abstract = {A novel Gram-stain-negative bacterium, strain S-MI1bT, belonging to the genus Microvirga was isolated from a metal industry waste soil sample in Pirangut village, Pune District, Maharashtra, India. Cells were non-spore-forming, small rod-shapes, motile and strictly aerobic with light-pink colonies. The strain grew in 0-7.0 \% (w/v) NaCl and at 25-45 {\textdegree}C, with optimal growth at 40 {\textdegree}C. The predominant fatty acids detected were summed feature 8 (C18 : 1 ω7c and/or C18 : 1 ω6c) and C19 : 0 cyclo ω8c. The predominant isoprenoid quinone was Q-10. The G+C content was 67.2 mol\% and DNA-DNA relatedness values between strain S-MI1bTand Microvirga subterranea DSM 14364T and Microvirgaaerophila 5420S-12T were 53.9 and 54.8 \%, respectively. Phylogenetic analysis, based on 16S rRNA gene sequences, indicated that strain S-MI1bT is a member of the genus Microvirga, with greatest sequence similarities of 97.7 and 97.4 \% with M. subterranea DSM 14364T and M.aerophila 5420S-12T, respectively. Phylogenetic analysis showed that strain S-MI1bT forms a clade with the type strain of M. subterranea DSM 14364T, and was readily distinguishable from it due to various phenotypic characteristics. The combination of genotypic and phenotypic data suggests that the isolate represents a novel species of the genus Microvirga, for which the name Microvirga indica sp. nov. is proposed. The type strain is S-MI1bT (=NCIM-5595T=KACC 18792T=BCRC 80972T)}, doi = { 10.1099/ijsem.0.002157}, author = {Tapase, S. R.}, editor = {Mawlankar, R. B.} } @article {43908, title = {Modular assembly of porous organic cage crystals: isoreticular quasiracemates and ternary co-crystal}, journal = {CrystEngComm}, volume = {19}, year = {2017}, month = {SEP}, chapter = {4933-4941}, abstract = {

Small changes in molecular structure and crystallisation conditions can have a profound effect on the crystal packing of molecules. Increasing the system complexity-for example, by introducing multiple components-greatly increases the number of potential outcomes. Hence, the rational design of porous cocrystals with multiple components is challenging. Here, we report a family of isoreticular quasiracemate crystalline phases for porous organic cages, FT-RCC3-R center dot CCX-S (where X = 1, 2, or 4), that were prepared in a modular and predictable fashion. By using directional intermolecular interactions between cages, we were able to prepare a rare ternary co-crystal, (CC3-S(0.5)CC4-S-0.5)center dot(CC13-S(0.5)CC3-S(0.25)CC4-S-0.25).

}, keywords = {cocrystals, Frameworks, Gas-chromatography, Halogen Bonds, Hydrogen-bonds, Molecular Cage, Nanoparticles, Pores, porosity, Separation}, issn = {1466-8033}, doi = {10.1039/c7ce00783c}, author = {Tothadi, Srinu and Little, Marc A and Hasell, Tom and Briggs, Michael E. and Chong, Samantha Y. and Liu, Ming and Cooper, Andrew I.} } @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 {44030, title = {Nano-heteroarchitectures of two-dimensional MoS 2 @ one-dimensional brookite TiO 2 nanorods: prominent electron emitters for displays}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {JUN}, pages = {2925-2934}, type = {Article}, abstract = {

We report comparative field electron emission (FE) studies on a large-area array of two-dimensional MoS2-coated @ one-dimensional (1D) brookite (β) TiO2 nanorods synthesized on Si substrate utilizing hot-filament metal vapor deposition technique and pulsed laser deposition method, independently. The 10 nm wide and 760 nm long 1D β-TiO2 nanorods were coated with MoS2 layers of thickness \~{}4 ({\textpm}2), 20 ({\textpm}3), and 40 ({\textpm}3) nm. The turn-on field (Eon) of 2.5 V/μm required to a draw current density of 10 μA/cm{\texttwosuperior} observed for MoS2-coated 1D β-TiO2 nanorods emitters is significantly lower than that of doped/undoped 1D TiO2 nanostructures, pristine MoS2 sheets, MoS2@SnO2, and TiO2@MoS2 heterostructure-based field emitters. The orthodoxy test confirms the viability of the field emission measurements, specifically field enhancement factor (βFE) of the MoS2@TiO2/Si emitters. The enhanced FE behavior of the MoS2@TiO2/Si emitter can be attributed to the modulation of the electronic properties due to heterostructure and interface effects, in addition to the high aspect ratio of the vertically aligned TiO2 nanorods. Furthermore, these MoS2@TiO2/Si emitters exhibit better emission stability. The results obtained herein suggest that the heteroarchitecture of MoS2@β-TiO2 nanorods holds the potential for their applications in FE-based nanoelectronic devices such as displays and electron sources. Moreover, the strategy employed here to enhance the FE behavior via rational design of heteroarchitecture structure can be further extended to improve other functionalities of various nanomaterials.

}, doi = {10.1021/acsomega.7b00345}, author = {Devan, Rupesh S. and Thakare, Vishal P. and Antad, Vivek V. and Chikate, Parameshwar R. and Khare, Ruchita T. and More, Mahendra and Dhayal, Rajendra S. and Patil, Shankar I. and Ma, Yuan-Ron and Schmidt-Mende, Lukas} } @article {43397, title = {New insights into the use of multi-mode phenomenological constitutive equations to model extrusion film casting process}, journal = {Journal of Plastic Film \& Sheeting}, volume = {33}, year = {2017}, month = {JAN}, pages = {35-71}, abstract = {This article is concerned with the effect of the individual viscoelastic relaxation modes of a polymer melt on its behavior in polymer melt extrusion film casting process. We compare the predicted versus experimentally obtained film necking or neck-in profile as a function of draw ratio. The predicted necking profile was obtained using well-established one-dimensional isothermal flow kinematics and consisted of using two different phenomenological constitutive equations, upper convected Maxwell and Phan-Thien-Tanner, with a discrete spectrum of relaxation times. The numerical simulations, containing the two different phenomenological constitutive equations, provided an insight into the effect of the slow and the fast relaxing modes on the stresses, strains, and strain/extensional rates that develop in the molten polymer film as it is stretched from the die exit to the chill-roll. The slow relaxing modes follow trends that are directly proportional to strain (similar to Hookean solids), whereas the fast relaxing modes follow trends that are directly proportional to the stretch rate (in accordance with Newton{\textquoteright}s law of viscosity). Comparing the numerical predictions with the experiments showed that predictions using the upper convected Maxwell constitutive equation best described the long-chain branched polymers (like low-density polyethylene, which shows extensional strain hardening) in the extrusion film casting process. On the other hand, predictions using the Phan-Thien-Tanner constitutive equation best described the linear polymers (like linear low-density polyethylene, which does not show noticeable extensional strain hardening) in the extrusion film casting process.}, doi = {10.1177/8756087915627843}, author = {Thete, Sumeet S. and Doshi, Pankaj and Pol, Harshawardhan V.} } @article {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.} } @article {43902, title = {Oral feeding with polyunsaturated fatty acids fosters hematopoiesis and thrombopoiesis in healthy and bone marrow-transplanted mice}, journal = {Journal of Nutritional Biochemistry}, volume = {47}, year = {2017}, month = {sep}, chapter = {94-105}, abstract = {

Hematopoietic stem cells play the vital role of maintaining appropriate levels of cells in blood. Therefore, regulation of their fate is essential for their effective therapeutic use. Here we report the role of polyunsaturated fatty acids (PUFAs) in regulating hematopoiesis which has not been explored well so far. Mice were fed daily for 10 days with n-6/n-3 PUFAs, viz. linoleic acid (LA), arachidonic acid (AA), alpha-linolenic acid and docosahexanoic acid (DHA) in four separate test groups with phosphate-buffered saline fed mice as control set. The bone marrow cells of PUFA-fed mice showed a significantly higher hematopoiesis as assessed using side population, Lin-Sca-1(+)ckit+, colony-forming unit (CFU), long-term culture, CFU-spleen assay and engraftment potential as compared to the control set. Thrombopoiesis was also stimulated in PUFA-fed mice. A combination of DHA and AA was found to be more effective than when either was fed individually. Higher incorporation of PUFAs as well as products of their metabolism was observed in the bone marrow cells of PUFA-fed mice. A stimulation of the Wnt, CXCR4 and Notch1 pathways was observed in PUFA-fed mice. The clinical relevance of this study was evident when bone marrow-transplanted recipient mice, which were fed with PUFAs, showed higher engraftment of donor cells, suggesting that the bone marrow microenvironment may also be stimulated by feeding with PUFAs. These data indicate that oral administration of PUFAs in mice stimulates hematopoiesis and thrombopoiesis and could serve as a valuable supplemental therapy in situations of hematopoietic failure. (C) 2017 Elsevier Inc. All rights reserved.

}, keywords = {Bone Marrow Transplantation (Bmt), Cord Blood, Down-regulation, Ex-vivo Expansion, Hematopoiesis, Hematopoietic Stem Cells (Hscs), Lipid rafts, Myocardial-infarction, Polyunsaturated Fatty Acids, Progenitor Cells, Prostaglandin-e2, Self-renewal, Spleen Colonies, Stem-cell Proliferation, Thrombopoiesis}, doi = {10.1016/j.jnutbio.2017.05.002}, author = {Limbkar, Kedar and Dhenge, Ankita and Jadhav, Dipesh D. and Thulasiram, Hirekodathakallu V. and Kale, Vaijayanti and Limaye, Lalita} } @article {43897, title = {Partially bio-based processable polyimides based on aromatic diamine derived from cardanol}, journal = {green Materials}, volume = {5}, year = {2017}, month = {JUN}, type = {Article}, abstract = {A partially bio-based aromatic diamine, namely, 1,1-bis(4-aminophenyl)-3-pentadecylcyclohexane (BAC15) was synthesized starting from cardanol. A series of polyimides were synthesized by one-step high-temperature solution polycondensation of BAC15 with aromatic dianhydrides. Copolyimides were also synthesised by polycondensation of various compositions of BAC15 and 4,4{\textquoteright}-oxydianiline with 3,3{\textquoteright},4,4{\textquoteright}-biphenyl tetracarboxylic dianhydride. Inherent viscosities and number average molecular weights of (co)polyimides were in the range 0.33-1.4 dL/g and 14700-31900 g/mol, respectively, indicating formation of reasonably high molecular weight polymers. Polyimides were soluble in common organic solvents such as chloroform, dichloromethane and tetrahydrofuran and could be cast into transparent, flexible and tough films from their solutions in chloroform. (Co)polyimides exhibited Tg in the range 161{\textendash}254 {\textdegree}C. The lowering of Tg could be attributed to the presence of flexible pentadecyl chains which act as {\textquotedblleft}packing disruptive{\textquotedblright} groups. The temperature at 10\% weight loss (T10) of (co)polyimides was in the range 490{\textendash}515 {\textdegree}C demonstrating their good thermal stability. The virtue of solubility and large gap between Tg and T10 offers (co)polyimides opportunities of both solution as well as melt processability. Copolyimides containing pendent pentadecyl chains exhibited pretilt angle in the range 2.51-2.75{\textdegree} indicating their potential application as alignment layer in liquid crystal display devices.}, doi = {10.1680/jgrma.17.00010}, author = {Shingte, Rahul D. and Tawade, Bhausaheb V. and Wadgaonkar, Prakash P.} } @article {43479, title = {Performance of colloidal CdS sensitized solar cells with ZnO nanorods/nanoparticles}, journal = {Beilstein Journal of Nanotechnology}, volume = {8}, year = {2017}, month = {JAN}, pages = { 210-221}, abstract = {

As an alternative photosensitizer in dye-sensitized solar cells, bovine serum albumin (BSA) (a nonhazardous protein) was used in the synthesis of colloidal CdS nanoparticles (NPs). This system has been employed to replace the commonly used N719 dye molecule. Various nanostructured forms of ZnO, namely, nanorod and nanoparticle-based photoanodes, have been sensitized with colloidal CdS NPs to evaluate their effective performance towards quantum dot sensitized solar cells (QDSSCs). A polysulphide (S-x(2-))-based electrolyte and CuxS counter electrode were used for cell fabrication and testing. An interesting improvement in the performance of the device by imposing nanorods as a scattering layer on a particle layer has been observed. As a consequence, a maximum conversion efficiency of 1.06\% with an open-circuit voltage (V-OC) of 0.67 V was achieved for the ZnO nanorod/nanoparticle assembled structure. The introduction of ZnO nanorods over the nanoparticle led to a significant enhancement of the overall efficiency compared to the corresponding bare nanoparticles.

}, doi = {10.3762/bjnano.8.23}, author = {Roy, Anurag and Das, Partha Pratim and Tathavadekar, Mukta and Das, Sumita and Devi, Parukuttyamma Sujatha} } @inbook {45800, title = {Photocatalytic degradation of herbicide by using aeroxide{\textregistered}P-90 TiO2 photocatalyst and photo-fenton process in the presence of artificial and solar radiation}, booktitle = {Novel water treatment and separation methods: simulation of chemical processes}, year = {2017}, pages = {1-18}, publisher = {CRC Press}, organization = {CRC Press}, edition = {1}, chapter = {Photocatalytic degradation of herbicide by using aeroxide{\textregistered}P-90 TiO2 photocatalyst and photo-fenton process in the presence of ar}, address = {New York}, abstract = {The presence of herbicide residues in the aquatic environment is an emerging issue due to their uncontrolled release through water and accumulation in the environment that may affect living organisms, environment, and public health. Consequently, the efforts are being made to develop the viable methods to eliminate the herbicides from the environment. The degradation of herbicide particularly amitrole has been investigated in aqueous solutions by using artificial and solar radiation. The effect of Aeroxide TiO2 P-90 photocatalyst loading (1-4 g L-1) on photocatalytic degradation of amitrole (50 mg L-1) was investigated. The degradation of amitrole (initial concentration ranging from 20 to 100 mg L-1) also studied by using photo-Fenton process (FeSO4 (10-30 mg L-1) and H2O2 (100-300 mg L-1)). The effect of pH (3-11), effect of co-existing salts (ammonium sulfate, sodium chloride, and sodium carbonate) as well as effect of type of radiation (artificial or solar radiation) on the degradation of amitrole was evaluated and optimized. The degradation of amitrole was accompanied by formation of intermediates which were detected by LC-MS. According to the results presented in this study, the photo-Fenton process using solar radiation is an efficient technique for degradation of amitrole.}, isbn = {978-177188578-2}, issn = {978-135184676-9}, doi = {10.1201/9781315225395}, author = {Telang, T., and Deosarkar, M.P. and Shetty, R. and Kamble, S.P.} } @article {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 {45691, title = {Photovoltaic and photocatalytic performance of electrospun Zn2SnO4 hollow fibers}, journal = {Applied Catalysis B}, volume = {203}, year = {2017}, month = {APR}, pages = {692-703}, type = {Article}, abstract = {The phase pure hollow Zn2SnO4 and green emitting ZnO-SnO2-Zn2SnO4 composite fiber have been prepared by post calcining the as formed fiber by electrospin technique. Depending upon the calcination temperature, the as prepared fiber exhibited a striking variation in composition, microstructure, optical and photo-electrochemical properties. The composition dependent dissimilarity in photovoltaic performance and photocatalytic activity has been established in this work. A relatively enhanced open circuit voltage (Voc) of 0.76 V, fill factor (FF) of 59.78\%, short circuit current Qsc) of 4.2 mA/cm(2) and an overall conversion efficiency (n) of 1.93\% have been achieved for the phase pure Zn2SnO4 porous fiber obtained at the elevated calcination temperature of 1000 degrees C. On the contrary, a relatively reduced Voc, FF, J(sc) and n of 0.70 V, 42.54\%, 3.8 mA/cm(2) and 1.17\%, respectively, have been achieved for the 800 degrees C calcined dense fiber consisting of a mixture of three distinct phases ZnO, SnO2 and Zn2SnO4. Unlike photovoltaic behaviour the trend in photocatalytic performance interestingly got reversed for the ZnO-nO(2)-Zn2SnO4 composite fiber owing to its superior photo-induced charge separation ability followed by generation of larger amount of active hydroxyl radicals (OFF). Our results establish the composite fiber as a preferred photocatalyst in comparison to phase pure Zn2SnO4 towards the textile dyes Methylene blue and Congo red and non absorbing organic pollutants such as Phenol and Bisphenol A under UV illumination.}, doi = {10.1016/j.apcatb.2016.10.035}, author = {Das, P. P. and Roy, A . and Tathavadekar, M. and Devi, P. S.} } @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 {44131, title = { Plasmonic behavior of ionic liquid stabilized gold nanoparticles in molecular solvents}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {NOV}, pages = {12989-12995}, type = {Article}, abstract = {In this paper, we have demonstrated the facile synthesis of stable gold nanoparticles (AuNPs) using imidazolium ionic liquids (ImILs) as a stabilizer as well as a surfactant and their surface plasmon resonance (SPR) in different molecular solvents with varying dielectric properties. The preparation of AuNPs capped with N,N{\textquoteright}-dialkyl ImILs of different chain lengths (denoted as [C-4, C-n-im]Br, n = carbon number of the alkyl chain) has been investigated. With one long alkyl chain (n >= 14), these AuNPs could be stably dispersed in solution over a month. The amphiphilic nature of the imidazolium salt dictates the stability and dispersion of these AuNPs in organic or aqueous solvents. Alkyl chain lengths (n >= 14) and the amount of ImILs have insignificant effect on the size of AuNPs and they possess an average size of 5 nm. These ionic liquid stabilized AuNPs were exploited to examine their optical properties when exposed to various solvent systems by measuring the change in the SPR spectrum. It was seen that the position of the SPR band of AuNPs is greatly influenced by the solvents under consideration. The shift in the SPR absorption band is observed to be in the range of 520 nm to 605 nm for AuNP@[C-4,C-16-im]Br from nonpolar to highly polar solvents. The considerable discovery presented here is that the lambda(SPR) of the SPR shifts to the blue with the increase of carbon atom in the alcohol chain from methanol to 1-decanol. Also for polyethylene glycols (PEGs), the lambda(SPR) shifts to the blue with the increase in molecular weight from PEG 200 to PEG 600. In above both cases, the variation in SPR of AuNPs is observed according to the dielectric properties of the medium in addition to the steric factor of alcohols and PEGs during their interaction with AuNP surfaces.}, doi = {10.1039/c7nj01324h}, author = {Thawarkar, Sachin and Thombare, Balu and Khupse, Nageshwar D.} } @article {43721, title = {Porous porphyrin organic polymer (PPOP) for visible light triggered hydrogen production}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {APR}, pages = {4461-4464}, type = {Article}, chapter = {4461-4464}, abstract = {A visible light active porphyrin-based porous organic polymer having high chemical stability and surface area has been synthesized and its ability to influence the photocatalytic activity of large band gap-TiO2 nanoparticles has been tested. The resultant composite shows improved photocatalytic activity as compared to the parent precursors. This study provides insights into the photosensitizing ability of the polymer in addition to its ability to firmly harbor nanoparticles onto its surface.}, doi = {10.1039/c7cc00879a}, author = {Mukherjee, Gargi and Thote, Jayshri and Aiyappa, Harshitha Barike and Kandambeth, Sharath and Banerjee, Subhrashis and Vanka, Kumar and Banerjee, Rahul} } @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 {43654, title = {Proton conduction in a hydrogen-bonded complex of copper(II)-bipyridine glycoluril nitrate}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {JUN}, pages = {6968-6974}, abstract = {Bipyridine glycoluril (BPG), a urea-fused bipyridine tecton, forms a square-pyramidal secondary building unit with copper(II) which further self-assembles to give a porous hydrogen-bonded complex. This complex displays a high proton conductivity of 4.45 x 10(-3) S cm(-1) at 90 degrees C and 95\% relative humidity (RH). Chains consisting of coordinated water, solvent water and nitrate anions embedded in the complex are responsible for high proton conduction. The proton conduction pathway was corroborated by ab initio electronic structure calculations with molecular dynamics (MD) simulations using the Nudged Elastic Band (NEB) method. The theoretical activation energy estimated to be 0.18 eV is in close agreement with the experimental value of 0.15 eV which evidences a Grotthuss proton hopping mechanism. We thus demonstrate that the hydrogen-bonded complex encapsulating appropriate counter ions, coordinated water and solvent water molecules exhibts superprotonic conductivity.}, doi = {10.1039/c7dt00425g}, author = {Tayade, Sakharam B. and Dhavale, Vishal M. and Kumbhar, Avinash S. and Kurungot, Sreekumar and Loennecke, Peter and Hey-Hawkins, Evamarie and Pujari, Bhalchandra} } @article {44124, title = { p-Selective (sp(2))-C-H functionalization for an acylation/alkylation reaction using organic photoredox catalysis}, journal = { Chemical Communications}, volume = {53}, year = {2017}, month = {NOV}, pages = {12337-12340}, type = {Article}, abstract = {p-Selective (sp(2))-C-H functionalization of electron rich arenes has been achieved for acylation and alkylation reactions, respectively, with acyl/alkylselenides by organic photoredox catalysis involving an interesting mechanistic pathway.}, doi = {10.1039/c7cc07529d}, author = {Pandey, Ganesh and Tiwari, Sandip Kumar and Singh, Bhawana and Vanka, Kumar and Jain, Shailja} } @article {45672, title = {Pyrethrin accumulation in elicited hairy root cultures of chrysanthemum cinerariaefolium}, journal = {Plant Growth Regulation}, volume = { 81 }, year = {2017}, month = {APR}, pages = {365-376}, type = {Article}, abstract = {The flowers of Pyrethrum (Chrysanthemum cinerariaefolium) are known to contain Pyrethrins that are naturally occurring potential insecticide. Hairy roots were induced from leaves of C. cinerariaefolium using Agrobacterium rhizogenes strain A4. The root clones were characterized in to four groups i.e. thick, unbranched (D2 and D5), thin, highly branched (D3), thick, branched (B2) and thick, highly branched (D1, D6). Six established hairy root clones showed the presence of pyrethrin and were selected for elicitation studies. Growth kinetics studies revealed highest growth index in hairy root clone D1 (592.0) followed by D6 and D3 on dry weight basis after 40 days of culture. The maximum pyrethrin content was found in the clone D3 (7.2 mg/g dw) which is comparable to the flowers obtained from the variety "Avadh". Hairy root clone D2 (5.2 mg/g dw) and D6 (1.3 mg/g dw) contained pyrethrin but in less amount as compared to clone D3. The PCR analysis showed the presence of rol B and rol C genes in all the six hairy root clones while rol A was detected only in D2 clone. The methanolic extract of D3 clone showed antifungal activities against phytopathogenic fungal strains which were found maximum against Curvuleria andropogonis followed by Colletotrichum acutatum and Rhizoctonia solani. Hairy root clones D2, D3 and D6 were elicited with culture filtrate of endophytic fungus (Fusarium oxysporum) and bacteria (Bacillus subtilis). The culture filtrate (4.0 \%v/v) of both the fungal and bacterial origin was found to be effective in enhancing the pyrethrin content in all the tested hairy root clones. Clone D3 showed maximum pyrethrin content on elicitation with F. oxysporum (9.7 mg/g dw) and B. subtilis (9.7 mg/g dw) culture filtrate, which is 32 \% higher than the non elicited D3 hairy roots (7.2 mg/g dw). F. oxysporum also enhanced the hairy root growth resulting into the higher biomass yield of D3 (50 \%) and D2 (76 \%) in comparison to control non elicited hairy root clones of D3 and D2, respectively leading to higher pyrethrin yield.}, doi = {10.1007/s10725-016-0213-8}, author = {Khan, Shamshad A. and Verma, Priyanka and Banerjee, Suchitra and Chaterjee, Arnab and Tandon, Sudeep and Kalra, Alok and Khaliq, Abdul and Rahman, Laiq Ur} } @article {45742, title = {Ratiometric sensor for DNA based on a dual emission Ru(dppz) light-switch complex}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {MAY }, pages = {6079-6086}, type = {Article}, abstract = {

Herein we describe the DNA binding properties of two new water-soluble ruthenium complexes; experimental and computational data reveal that both complexes display dual emission from MLCT and LLCT excited states. The interaction of the new complexes with DNA was also investigated. Although one of the complexes only binds DNA though groove binding, the second complex has separate ligands capable of groove binding and intercalation. Nevertheless, it was found that both complexes interact with duplex DNA with high affinity. DNA induced distinctive changes in the emission of the complexes; although the groove binding complex only displays a modest increase in emission on binding, the complex that contains the intercalating Ru-II(dppz) moiety displays a large increase in MLCT-based emission on DNA binding while emission from the LLCT excited state is unaffected. This means that the complex functions as the first ratiometric sensor for DNA.

}, issn = {1477-9226}, doi = {10.1039/c7dt00801e}, author = {Walker, Michael G. and Ramu, Vadde and Meijer, Anthony J. H. M. and Das, Amitava and Thomas, Jim A.} } @article {44011, title = {Repurposing Ivacaftor for treatment of staphylococcus aureus infections}, journal = {International Journal of Antimicrobial Agents}, volume = {50}, year = {2017}, month = {SEP}, pages = {389-392}, type = {Journal Article}, abstract = {

Drug repurposing of non-antimicrobials is a novel method to augment a seriously depleted drug pipeline for targeting drug{\textendash}resistant pathogens. This article highlights the potent antimicrobial activity of Ivacaftor against Staphylococcus aureus, including vancomycin{\textendash} and other multidrug{\textendash}resistant strains. The potent activity of Ivacaftor in vivo is also demonstrated in a murine neutropenic thigh infection model. Taken together, these results support the potential of Ivacaftor as an antimicrobial agent for the treatment of staphylococcal infections. {\textcopyright} 2017 Elsevier B.V. and International Society of Chemotherapy

}, doi = {10.1016/j.ijantimicag.2017.03.020}, author = {Thakare, R. and Das, S. and Vasudevan, N. and Jachak, G.R. and Reddy, D.S. and Dasgupta, A. and Chopra, S.}, editor = {Singh, A. K.} } @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.} } @inbook {44022, title = {Step-growth polymers from cashew nut shell liquid (CNSL)-based aromatic difunctional monomers}, booktitle = {Cashew Nut Shell Liquid}, year = {2017}, pages = {163-214}, abstract = {

Cashew nut shell liquid (CNSL) is an attractive renewable resource material which is available in abundance (44,50,000 tonnes worldwide and 7,53,000 tonnes in India in 2013) at low cost (around 0.27 $/kg in 2015) and is mainly composed of anacardic acid, cardanol, cardol and 2-methyl cardol. Cardanol is obtained as a major product during hot oil extraction or roasting process of CNSL. Cardanol possesses interesting structural features. The aromatic ring of cardanol can undergo electrophilic substitution reactions; the unsaturated side chain can undergo epoxidation, hydrogenation, metathesis, etc., while the phenolic hydroxyl group can undergo various reactions such as esterification and alkylation. Such opportunities of chemical modifications offered by cardanol have been extensively explored to synthesise a range of interesting aromatic difunctional monomers that have subsequently been utilised to prepare a host of step-growth polymers. Summarised herein are research efforts that have contributed towards the synthesis of step-growth polymers based on aromatic difunctional monomers derived from cardanol. The properties of high-performance polymers, with a particular focus on processability and thermal characteristics, are highlighted.

}, doi = {10.1007/978-3-319-47455-7_9}, author = {Chatterjee, Deepshikha and Sadavarte, Nilakshi V. and Shingte, Rahul D. and More, Arvind S. and Tawade, Bhausaheb V. and Kulkarni, Arun D. and Ichake, Amol B. and Avadhani, C. V. and Wadgaonkar, Prakash P.} } @article {43497, title = {Structural, magnetic, dielectric and magnetodielectric properties of Bi1-xCaxFe1-xMnxO3 in the morphotropic phase boundary region}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {JAN}, pages = {Article Number: 016104}, abstract = {Structural, magnetic, dielectric and magnetodielectric properties of Ca and Mn co-substituted bismuth ferrite, Bi1-xCaxFe1-xMnxO3 (0 <= x <= 0.4) are reported. Structural studies by Rietveld refinement of XRD patterns revealed rhombohedral R3c structure for x <= 0.11 and orthorhombic Pbnm structure for x >= 0.2. For compositions in the range 0.11 < x < 0.2, mixed phase behaviour is observed showing a morphotropic phase boundary (MPB) region. Magnetisation at room temperature increases with increasing Ca and Mn content, showing weak ferromagnetism. Coercivity and remanence initially increase and then decrease with increasing x, showing a maximum for x = 0.175 in the MPB region. Dielectric constant also shows a maximum value in the mixed phase region. Magnetodielectric (MD) studies revealed positive MD for the R3c phase and a negative MD for the Pbnm phase, showing a maximum MD (similar to 1\%) for x approximate to 0.1 and crossover at x approximate to 0.175. The studies show strong interplay between the structure and properties, suggesting tuneable bismuth ferrite based compositions for magnetoelectric applications.}, doi = {10.1088/2053-1591/aa5686}, author = {Manjunath, B. and Thakuria, P. and Joy, P. A.} } @article {44127, title = {Super-resolution probe to monitor HNO levels in the endoplasmic reticulum of cells}, journal = {Analytical Chemistry}, volume = {89}, year = {2017}, month = {NOV}, pages = {12087-12093}, type = {Article}, abstract = {Selective detection of nitroxyl (HNO), which has recently been identified as a reactive nitrogen species, is a challenging task. We report a BODIPY-based luminescence ON reagent for detection of HNO in aqueous solution and in live RAW 264.7 cells, based on the soft nucleophilicity of the phosphine oxide functionality toward HNO. The probe shows high selectivity to HNO over other reactive oxygen/nitrogen and sulfur species. Luminescence properties of the BODIPY-based chemodosimetric reagent make it an ideal candidate for use as a reagent for super-resolution structured illumination microscopy. The viability of the reagent for biological in vivo imaging application was also confirmed using Artemia as a model.}, doi = {10.1021/acs.analchem.7b02567}, author = {Ali, Firoj and Sreedharan, Sreejesh and Ashoka, Anila Hoskere and Saeed, Hiwa K. and Smythe, Carl G. W. and Thomas, Jim A. and Das, Amitava} } @article {43818, title = {Supramolecular synthons in bumetanide cocrystals and ternary products}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {AUG}, pages = {4225-4236}, type = {Article}, abstract = {A novel design strategy for cocrystals of the diuretic sulfonamide drug bumetanide (BUM) with carboxamides is reported based on reliable supramolecular synthons. Binary cocrystals of BUM with pyridine carboxamides, pyridones, and cytosine were obtained by solvent assisted grinding followed by solution crystallization. All cocrystal structures exhibit hydrogen bonding of the coformer with the carboxylic acid group of BUM via heterosynthons which replace the acid homodimer in the drug crystal structure. Pyridones are inserted as N-H center dot center dot center dot O dimers which are in turn bonded to the acid group of BUM, while the pyridine amide coformers interact via the acid amide heterosynthon. Cocrystal polymorphs were obtained for bumetanide isonicotinamide cocrystal structure with the sulfonamide pyridine and sulfonamide acid synthons. Careful crystal packing analysis of BUM structure and nine new binary adducts gave an idea for the design ternary cocrystals, and subsequently four new ternary crystalline products were crystallized. Whereas the binary cocrystal structures were confirmed by single crystal diffraction, the ternary combinations were chatacterized by their unique powder X-ray diffraction patterns as well as by thermal and spectroscopic techniques.}, doi = {10.1021/acs.cgd.7b00531}, author = {Allu, Suryanarayana and Bolla, Geetha and Tothadi, Srinu and Nangia, Ashwini} } @article {42938, title = {Synthesis and biological evaluation of new fluconazole β-lactam conjugates linked via 1,2,3-triazole}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {FEB}, pages = {470-479}, abstract = {

Novel 1,2,3-triazole-linked β-lactam{\textendash}fluconazole conjugates 12(a{\textendash}l) were designed and synthesized. The compounds showed potent antifungal activity against two pathogenic Candida strains; Candida albicans ATCC 24433 and Candida albicans ATCC 10231 with MIC values in the range of 0.0625{\textendash}2 μg mL-1. Compounds 12h, 12j and 12k showed promising antifungal activity against all the tested fungal pathogens except C. neoformans ATCC 34554 compared to fluconazole. Compound 12j in which the β-lactam ring was formed using para-anisidine and benzaldehyde was found to be more potent than fluconazole against all the fungal strains with an IC50 value of \<0.015 μg mL-1 for Candida albicans (ATCC 24433). Mechanistic studies for active compounds revealed that the antifungal action was due to ergosterol inhibition. Compounds 12h and 12j at a concentration of 0.125 μg mL-1 caused 91.5 and 96.8\% ergosterol depletion, respectively, compared to fluconazole which at the same concentration caused 49\% ergosterol depletion. The molecular docking study revealed that all the fluconazole β-lactam conjugates 12(a{\textendash}l) could snugly fit into the active site of lanosterol 14α-demethylase (CYP51) with varying degrees of affinities. As anticipated, the binding energy for compound 12j (-58.961 kcal mol-1) was much smaller than that for fluconazole (-52.92 kcal mol-1). The synthesized compounds have therapeutic potential for the control of candidemia.

}, doi = {10.1039/C6NJ03117J}, author = {Divse, Jaisingh M. and Mhaske, Santosh B. and Charolkar, Chaitanya R. and Sant, Duhita G. and Tupe, Santosh G. and Deshpande, Mukund V. and Khedkar, Vijay M. and Nawale, Laxman U. and Sarkar, Dhiman and Pore, Vandana S.} } @article {42973, title = {Synthesis and characterization of polyhydrazides and poly(1,3,4-oxadiazole)s containing multiple arylene ether linkages and pendent pentadecyl chains}, journal = {High Performance Polymers}, volume = {29}, year = {2017}, month = {SEP}, chapter = {836-848}, abstract = {

A new diacylhydrazide monomer, namely, 4-(4-(4-(4-(hydrazinocarbonyl)phenoxy)-2-pentadecylphenoxy)phenoxy) benzohydrazide (HPPDPB), was synthesized starting from 4-(4-hydroxyphenoxy)-3-pentadecylphenol. HPPDPB was polycondensed with terephthalic acid chloride (TPC), isophthalic acid chloride (IPC) and a mixture of TPC and IPC (50:50 mol\%) to obtain polyhydrazides containing multiple arylene ether linkages in the backbone and pendent pentadecyl chains. Polyhydrazides were subsequently cyclized in the presence of phosphorus oxychloride to obtain the corresponding poly(1,3,4-oxadiazole)s. Polyhydrazides and poly(1,3,4-oxadiazole)s exhibited inherent viscosities in the range 0.65{\textendash}0.72 dL g-1 and 0.54{\textendash}0.62 dL g-1, respectively, which indicated the formation of reasonably high-molecular weight polymers. Polyhydrazides were soluble in polar aprotic solvents such as N,N-dimethylformamide, N,N-dimethylacetamide (DMAc), 1-methyl-2-pyrrolidinone and pyridine whereas poly(1,3,4-oxadiazole)s exhibited excellent solubility even in common organic solvents such as chloroform, dichloromethane and tetrahydrofuran. Tough, transparent and flexible films of polyhydrazides and poly(1,3,4-oxadiazole)s could be cast from DMAc and chloroform solutions, respectively. X-Ray diffraction studies revealed amorphous nature of polyhydrazides and poly(1,3,4-oxadiazole)s and the formation of layered structure was observed due to ordered packing of pentadecyl chains. The 10\% decomposition temperature (T 10) values for poly(1,3,4-oxadiazole)s were in the range 425{\textendash}440{\textdegree}C indicating their good thermal stability. Glass transition temperature (T g) values of polyhydrazides and poly(1,3,4-oxadiazole)s were in the range 175{\textendash}192{\textdegree}C and 92{\textendash}103{\textdegree}C, respectively. The excellent solubility characteristics and the large gap between T g (92{\textendash}103{\textdegree}C) and T 10 (425{\textendash}440{\textdegree}C) values give poly(1,3,4-oxadiazole)-containing pendent pentadecyl chains better opportunities for processability.

}, doi = {10.1177/0954008316660368}, author = {Tawade, Bhausaheb V. and Valsange, Nitin G. and Wadgaonkar, Prakash P.} } @inbook {45775, title = {Synthesis of fluorinated heterocycles via multicomponent reactions}, booktitle = {Multicomponent reactions: synthesis of bioactive heterocycles}, year = {2017}, pages = {183-199}, publisher = {CRC Press}, organization = {CRC Press}, chapter = {Synthesis of fluorinated heterocycles via multicomponent reactions}, abstract = {Fluorine is one of the most important elements in the periodic table because it is the most electronegative element, makes the strongest C-F bond, and is more polarized in organic synthesis. These unique and distinctive properties of fluorine make it very useful and widely applicable in the pharmaceutical and agrochemical industries. Hydrogen replaced with the fluorine of an organic compound can tune the pharmacokinetic and pharmacological properties of the molecule, which improve solubility, membrane permeability, 184metabolic stability, and receptor-binding properties compared with nonfluorinated analogs.1 Due to these unique properties of fluorine, organofluorine compounds are very applicative in medicinal, pharmaceutical, agrochemical, and material chemistry. This wide applicability of fluorine and organofluorine compounds attracts the attention of researchers and chemists. Labeled fluorine-18 is one of the most commonly used positron emitting radioisotopes in positron emission tomography (PET) imaging technology, which can detect presymptomatic biochemical changes in body tissues. In addition to its use in PET-CT, fluorine is used in preparation of chemically resistant polymer materials such as polytetrafluoroethylene (Teflon) or polarity to piezoelectric material such as polyvinylidene fluoride and organic liquid crystals for displays. Because of these many advantages of fluorine, organic chemists have developed various methods to introduce fluorine in organic molecules. During the last two decades, numerous organofluorine heterocyclics have been developed; in this chapter, we have summarized synthesis of multicomponent reactions (MCRs) in application of fluorine compound synthesis.}, issn = { 978-149873419-6}, doi = {10.1201/9781315369754}, author = {Shinde, S. S. and Thore, S. N. and Pawar, R. P. and Ameta, K. L. and Patil, S. N.} } @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 {44166, title = {Synthetic manipulation of hybrid perovskite systems in search of new and enhanced functionalities}, journal = {ChemSusChem}, volume = {10}, year = {2017}, month = {OCT}, pages = {3722-3739}, type = {Article}, abstract = {Over the past few years the organic-inorganic hybrid perovskite systems have emerged as a promising class of materials for photovoltaic and electroluminescent thin-film device applications, in view of their unique set of tunable optoelectronic properties. Importantly, these materials can be easily solution-processed at low temperatures and as such are amenable to facile molecular engineering. Thus, a variety of low-dimensional forms and quantum structures of these materials can be obtained through strategic synthetic manipulations through small molecule incorporation or molecular ion doping. In this Minireview, we specifically focus on these approaches and outline the possibilities of utilizing these for enhanced functionalities and newer application domains.}, doi = {10.1002/cssc.201701093}, author = {Naphade, Rounak and Nagane, Satyawan and Bansode, Umesh and Tathavadekar, Mukta and Sadhanala, Aditya and Ogale, Satishchandra} } @article {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 {43485, title = {Transition metal catalysis-a unique road map in the stereoselective synthesis of 1,3-polyols}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {JAN}, pages = {733-761}, abstract = {The present review summarizes recent diverse reactions employed in the formation of 1,3-polyols providing an overview of the mechanistic pathway and the enantioselectivity obtained, in terms of the properties of transition metals directly involved in the catalytic transformations and their interaction with various ligands.}, doi = {10.1039/c6ob01925k}, author = {Kumar, Pradeep and Tripathi, Divya and Sharma, Brijesh M. and Dwivedi, Namrata} } @article {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 {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 {44423, title = {Analytical solutions of an isothermal two-dimensional model of a cathode flow channel in a proton exchange membrane fuel cell}, journal = {Chemical Engineering Science}, volume = {190}, year = {2018}, month = {NOV}, pages = {333-344}, type = {Article }, abstract = {Two key assumptions are usually made while deriving analytical solutions of coupled kinetics and transport equations in a single channel on the cathode plate of a proton exchange membrane fuel cell (PEMFC). These are: plug flow and uniform oxygen concentration along the depth of the channel. However these assumptions are not always valid under typical operating conditions of a PEMFC, and particularly so at high current density. In this article we relax these two assumptions and present approximate analytical solutions of the governing equations using the methodology of separation of variables followed by power series solution. Spatial profiles of oxygen concentration and current density were derived, which led to the final derivation of a comprehensive current-potential relationship (polarization curve) in the reaction-controlled regime of an operational PEMFC. We compare polarization curves predicted by the present model with predictions of the earlier analytical model and also with a complete 3D-simulation of the same flow geometry and operation conditions. The local profiles of oxygen concentration and the polarization curve predicted by the present model compare far better with the 3D simulations than the earlier analytical model. While this comparison highlights the importance of the effects of finite oxygen diffusion rate and velocity profile in the channel on the polarization curves, it also points to other important factors that affect the current-potential relation.}, doi = {10.1016/j.ces.2018.06.025}, author = {Thosar, Aniket U. and Lele, Ashish K.} } @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 {44191, title = {Application of sulfur ylides in 1,2-difunctionalization of arynes via insertion into a C-S sigma-bond}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {FEB }, pages = {848-851}, type = {Article}, abstract = {

A novel reactivity of sulfur ylides has been demonstrated in a transition-metal-free protocol to access ortho-substituted thioanisole derivatives by insertion of arynes into a C-S sigma-bond in moderate to good yields. The reaction involves the formation of C-C and C-S bonds and consecutive breaking of two C-S bonds under operationally mild reaction conditions.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.7b04003}, author = {Ahire, Milind M. and Thoke, Mahesh B. and Mhaske, Santosh B.} } @article {45468, title = { Bubble size prediction in gas-solid fluidized beds using genetic programming }, journal = {Current Science }, volume = {115}, year = {2018}, month = {NOV }, pages = {1904-1912}, type = {Article}, abstract = {The hydrodynamics of a gas-solid fluidized bed (FB) is affected by the bubble diameter, which in turn strongly influences the performance of a fluidized bed reactor (FBR). Thus, determining the bubble diameter accurately is of crucial importance in the design and operation of an FBR. Various equations are available for calculating the bubble diameter in an FBR. It has been found in this study that these models show a large variation while predicting the experimentally measured bubble diameters. Accordingly, the present study proposes a new equation for computing the bubble diameter in a fluidized bed. This equation has been developed using an efficient, yet infrequently employed computational intelligence (CI)-based data-driven modelling method termed genetic programming (GP). The prediction and generalization performance of the GP-based equation has been compared with that of a number of currently available equations for computing the bubble diameter in a fluidized bed and the results obtained show a good performance by the newly developed equation.}, issn = {0011-3891}, doi = {10.18520/cs/v115/i10/1904-1912}, author = {Sonolikar, R. R. and Patil, M. P. and Mankar, R. B. and Tambe, S. S. and Kulkarni, B. D.} } @article {45603, title = {Catalytic and efficient synthesis of optically active terminal epoxides and 1,2-diols using a new lanthanum triflate assisted C1-symmetric bimetallic chiral salen cobalt complex}, journal = {Letters in Organic Chemistry}, volume = {15 }, year = {2018}, pages = {960 - 966}, type = {Article}, abstract = {The catalytic asymmetric synthesis of terminal epoxides and 1,2-diols via a hydrolytic kinetic resolution of racemic terminal epoxides using a new bimetallic chiral salen CoIII complex incorporated with La(OTf)3 as a catalyst is reported. The new bimetallic chiral salen CoIII complex bearing La(OTf)3 was prepared in a one-pot procedure by activation and bimetallic complex formation from the inactive Jacobsen chiral salen CoII complex (salen = N, N'-bis(3,5-di-tert-butylsalicylidene)-1,2- cyclohexane-diamine). We observed that C1-symmetric chiral bimetallic Co-complex coordinated with La(OTf)3 works as a chiral catalyst and remarkably increased the reactivity and enantioselectivity in the hydrolytic kinetic resolution of terminal epoxides compared to its monometallic analogues. La(OTf)3 plays a crucial role as an achiral Lewis acid in this process, which is supported by the experimental observation presented. To explore the absolute configuration of glycidyl butyrate a vibrational circular dichroism (VCD) spectra was calculated using density functional theory.}, doi = {10.2174/1570178615666171212144938}, author = {Patel, D. and Thakur, S. S. and Shinde, S. S. and Kumar, P.} } @article {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 {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 {44630, title = {Continuous flow synthesis of micron size silica nanoparticles: parametric study and effect of dosing strategy}, journal = {Journal of Flow Chemistry}, volume = {8}, year = {2018}, month = {JUN}, pages = {59-67}, abstract = {

This work for the first time reports continuous flow synthesis of silica nano-particles of size over 1 mu m using a simple tubular reactor. The systematic approach involves the study of effect of various parameters like: ammonia concentration, water concentration, electrolyte concentraton, temperature, solvent, residence time and mode of TEOS injection over a wide range. A combination of ethanol and butanol was used as the medium with relatively lower polarity. Various process parameters were optimized to obtain highly monodispersed particles of size up to 600 nm and high yield (up to 90\%). Attempts of reducing the reaction time by increasing temperature or concentrations of any of the reagents resulted in significant polydispersity and even in the formation of random shape agglomerates. At the optimized conditions almost complete conversion of TEOS happenned within 40 min and further growth of particles was achieved by adding TEOS using multipoint injection approach. While multipoint dosing resulted in the formation of very small number of secondary particles, the larger particles continued to grow beyond 800 nm. Further reduction in the polarity of reaction medium was achieved by adding 20\% v/v of toluene, which without changing homogeneity of the solution resulted in particles as large as 0.9-1.1 mu m.

}, keywords = {Flow synthesis, Multipoint injection, silica, TEOS, Tubular reactor}, issn = {2062-249X}, doi = {10.1007/s41981-018-0008-3}, author = {Jundale, Rajashri and Bari, Atul and Thara, Chinnu and Kulkarni, Amol} } @article {44640, title = {Correlation trends in the magnetic hyperfine structure of atoms: a relativistic coupled-cluster case study}, journal = {Physical Review A}, volume = {98}, year = {2018}, month = {AUG}, type = {Article}, abstract = {

The role of electron correlation in the hyperfine structure of alkali metals and alkaline earth metal monopositive ions in their ground electronic configuration is investigated using the Z-vector method in a relativistic coupled-cluster regime within the singles and doubles approximation. The systematic effects of core-correlating functions, polarization of core electrons, and high-lying virtual functions on core electrons correlation are studied. The study reveals that the core-correlating function plays a significant role in core polarization and thus is very important for precise calculation of the wave function near the nuclear region. The inner-core electrons (1s-2p) require very high virtual energy functions for proper correlation. Therefore, the all-electron correlation treatment and the inclusion of higher-energy virtual functions are the key factors for precise calculation of the hyperfine structure constant of atoms. Our calculated values are in excellent agreement with the available experimental values, which also implies that the wave function produced by the Z-vector method is accurate enough for further calculation of the parity- and time-reversal symmetry-violating properties in atoms and molecules.

}, issn = {2469-9926}, doi = {10.1103/PhysRevA.98.022507}, author = {Talukdar, Kaushik and Sasmal, Sudip and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {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 {45502, title = {De novo transcriptome analysis of the egg parasitoid Trichogramma chilonis Ishii (Hymenoptera: Trichogrammatidae): a biological control agent}, journal = {Gene Reports}, volume = {13}, year = {2018}, month = {DEC}, pages = {115-129}, type = {Article}, abstract = {Trichogramma chilonis Ishii is an endoparasitic wasp widely used as a biological control agent of economically important pests. However, absence of genetic information on T. chilonis hampers further research, especially at the molecular level. Here, we performed the first RNA-Seq of the adult T. chilonis. A total of 18,372,639 high-quality reads were generated using Illumina pair-ended sequencing platform. De novo assembly resulted into 24,488 transcripts, with mean length and N50 values of 1444.2 bp and 2667 bp, respectively. Of the transcripts, 14,643 exhibited putative homology with class Insecta proteins from UniPROT database. To understand the contig functions, gene descriptions, gene ontology and cluster of orthologous group annotations were analyzed. Following functional annotation, a number of transcripts encoding detoxification, target receptor action and olfaction- related proteins were identified and analyzed. In addition, 4520 transcripts containing simple sequence repeats, ranging from dinucleotide to hexanucleotide repeats were discovered, with trinucleotide being the most enriched repeats. This new sequence resource will shed light on various molecular mechanisms in T. chilonis and related species.}, issn = {24520144}, doi = {10.1016/j.genrep.2018.08.009}, author = {Kerima, O.Z. and Niranjana, P. and Vinay Kumar, B.S. and Ramachandrappa, R. and Puttappa, S. and Lalitha, Y. and Jalali, S.K. and Ballal, C.R. and H. V. Thulasiram} } @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 {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 {44647, title = {Dynamics of loops at the substrate entry channel determine the specificity of iridoid synthases}, journal = {Febs Letters}, volume = {592}, year = {2018}, month = {AUG}, pages = {2624-2635}, abstract = {

Iridoid synthases belong to the family of short-chain dehydrogenase reductase involved in the biosynthesis of iridoids. Despite having high sequence and structural homology with progesterone 5 beta- reductase, these enzymes exhibit differential substrate specificities. Previously, two loops. L1 and L2 at substrate-binding pocket, were suggested to be involved in generating substrate specificity. However, the structural basis of specificity determinants was elusive. Here, combining sequence and structural analysis, site-directed mutagenesis, and molecular dynamics simulations, we have shown that iridoid synthase contains two channels for substrate entry whose geometries are altered by L1-L2 dynamics, primarily orchestrated by interactions of residues Glu161 and Gly162 of L1 and Asn358 of L2. A complex interplay of these interactions confer the substrate specificity to the enzyme.

}, keywords = {iridoid synthase, iridoids, Molecular dynamics simulations, progesterone 5 beta-reductase, Substrate specificity}, issn = {1873-3468}, doi = {10.1002/1873-3468.13174}, author = {Sandholu, Anand S. and Mohole, Madhura and Duax, William L. and Thulasiram, Hirekodathakallu V. and Sengupta, Durba and Kulkarni, Kiran} } @article {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 {44200, title = {Electrospinning of non-ionic cellulose ethers/polyvinyl alcohol nanofibers: characterization and applications}, journal = {Carbohydrate Polymers}, volume = {181}, year = {2018}, month = {FEB }, pages = {175-182}, type = {Article}, abstract = {

The morphology of spin-coated films and electrospun fibers of ethyl hydroxy ethyl cellulose (EHEC), hydrophobically modified ethyl hydroxy ethyl cellulose (HM-EHEC) and their blends with Poly(vinyl alcohol) (PVA) was examined by AFM, SEM and contact angle measurements. These polysaccharides upon blending with PVA exhibited smooth surface which was evidenced by Atomic Force Microscopy (AFM) observation. The electrospinnability of above polysaccharides with PVA was demonstrated for the first time. The oriented fibers could be obtained using a rotating disc collector. Contact angles of spin-coated films and electrospun fibers were discussed in terms of hydrophobicity and wetting characteristics. Further, The nanofibers of EHEC/PVA were in-situ crosslinked using citric acid and were used for controlled release of an antibacterial drug, Chlorhexidine Digluconate (ChD). In-vitro studies of cytotoxicity, cell growth and cell proliferation were performed using L929 mouse fibroblast cells. These nanofiber mats show potential in drug delivery and as scaffolds in tissue engineering applications.

}, keywords = {cellulose, drug delivery, electrospinning, Ethyl hydroxy ethyl cellulose, Hydrophobically modified ethyl hydroxy ethyl, scaffold, Spin coating}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2017.10.070}, author = {Wali, Ashwini and Zhang, Yucheng and Sengupta, Poulomi and Higaki, Yuji and Takahara, Atsushi and Badiger, Manohar V.} } @article {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 {44466, title = {Environmental impact study of bagasse valorization routes}, journal = {Waste and Biomass Valorization}, volume = {10}, year = {2018}, month = {JAN}, pages = {2067-2078}, type = {Article}, abstract = {India is the world{\textquoteright}s second largest sugarcane producer and a major manufacturer of molasses-derived ethanol. The sugarcane produced is widely used in the production of sugar and 1G ethanol. Though sugar and 1G ethanol are the major concerns, there is still a huge amount of bagasse waste generated in the sugar factories. This bagasse has also some end use value, as it can be utilized for production of methanol, 2G ethanol and electricity. Even though the technology for production of these value added products is well established, it is important to analyze the social, economical and environmental impacts associated with these production processes. This work compares the environmental impacts of various sugarcane conversion processes on life cycle basis. The functional unit used is one tonne of sugarcane cultivated in field. Four routes identified for bagasse conversion- conversion of bagasse to methanol (Route 1), conversion of bagasse to ethanol via 2 stage dilute acid process (Route 2), conversion of bagasse to ethanol via enzymatic process (Route 3) and electricity production from bagasse (Route 4). On comparison of these routes on midpoint indicators such as global warming potential (GWP), acidification potential (AP), eutrophication potential (EP) and ozone depletion potential (ODP) and photochemical ozone creation potential (POCP), it is observed that the methanol production is having the highest environmental indicator values. Even though ethanol production processes and cogeneration process are having nearly similar results, it can be said that cogeneration process is the more eco-friendly one.}, keywords = {Bagasse valorization, Environmental impact, LCA, Midpoint indicators}, issn = {1877-2641}, doi = {10.1007/s12649-018-0198-9}, author = {Mandavgane, Sachin Arvind and Joglekar, Saurabh and Tandulje, Akshay P. and Kulkarni, Bhaskar D.} } @article {44203, title = {Eosin Y photoredox catalyzed net redox neutral reaction for regiospecific annulation to 3-sulfonylindoles via anion oxidation of sodium sulfinate salts}, journal = {Organic \& Biomolecular Chemistry}, volume = {16}, year = {2018}, month = {JAN}, pages = {536-540}, type = {Article}, abstract = {

An eosin Y photoredox catalyzed net redox neutral process for 3-sulfonylindoles via the anionic oxidation of sodium sulfinate salts and its radical cascade cyclization with 2-alkynyl-azidoarenes was developed with visible light as a mediator. The reaction offers metal and oxidant/reductant free, visible light mediated vicinal sulfonamination of alkynes to 2-aryl/alkyl-3-sulfonylindoles and proceeds via the generation of a sulfur-centered radical through direct oxidation of the sulfinate anion by an excited photocatalyst with a reductive quenching cycle. The mild conditions, use of an organic dye as photo-catalyst, bench stability and easily accessible starting materials make the present approach green and attractive.

}, issn = {1477-0520}, doi = {10.1039/c7ob02977b}, author = {Rohokale, Rajendra S. and Tambe, Shrikant D. and Kshirsagar, Umesh A.} } @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 {44476, title = {Facile and solvent-free domino synthesis of new quinolidinyl-2,4-thiazolidinones: antifungal activityand molecular docking}, journal = {Mini-Reviews in Medicinal Chemistry}, volume = {18}, year = {2018}, month = {JAN}, pages = {622-630}, abstract = {Objective: We have synthesized new quinolidinyl-thiazolidinones via Knoevenagel condensation-alkylation reaction, catalyzed by [Et3NH][HSO4]. The present approach offers several advantages such as higher yields, eco-friendly reaction condition and economic availability of the catalyst. Method: The newly synthesized compounds were evaluated for their in vitro antifungal activity against six fungal strains. Some of the synthesized conjugates displayed good to moderate antifungal activity. Conclusion: Again, the molecular docking study performed against the fungal sterol 14 alpha-demethylase (CYP51) showed an excellent binding affinity towards the enzyme which could rationalize the promising antifungal activity portrayed by these derivatives and provides a platform for structure based drug design.}, doi = {10.2174/1389557516666161226161152}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Tupe, Santosh G. and Deshpande, Mukund V. and Khedkar, Vijay M. and Jha, Prakash C. and Shingate, Bapurao B.} } @article {44614, title = {Facile, environmentally benign and scalable approach to produce pristine few layers graphene suitable for preparing biocompatible polymer nanocomposites}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {JUL}, pages = {11228}, abstract = {

The success of developing graphene based biomaterials depends on its ease of synthesis, use of environmentally benign methods and low toxicity of the chemicals involved as well as biocompatibility of the final products/devices. We report, herein, a simple, scalable and safe method to produce defect free few layers graphene using naturally available phenolics i.e. curcumin/tetrahydrocurcumin/ quercetin, as solid-phase exfoliating agents with a productivity of similar to 45 g/batch (D/G = 0.54 and D/D{\textquoteright} \<= 1.23). The production method can also be employed in liquid-phase using a ball mill (20 g/batch, D/G \<= 0.23 and D/D{\textquoteright} \<= 1.12) and a sand grinder (10 g/batch, D/G \<= 0.11 and D/D similar to = 0.78). The combined effect of p-p interaction and charge transfer (from curcumin to graphene) is postulated to be the driving force for efficient exfoliation of graphite. The yielded graphene was mixed with the natural rubber (NR) latex to produce thin film nanocomposites, which show superior tensile strength with low modulus and no loss of \% elongation at break. In-vitro and in-vivo investigations demonstrate that the prepared nanocomposite is biocompatible. This approach could be useful for the production of materials suitable in products (gloves/condoms/catheters), which come in contact with body parts/ body fluids.

}, issn = {2045-2322}, doi = {10.1038/s41598-018-28560-1}, author = {George, Gejo and Sisupal, Suja Bhargavan and Tomy, Teenu and Kumaran, Alaganandam and Vadivelu, Prabha and Suvekbala, Vemparthan and Sivaram, Swaminathan and Ragupathy, Lakshminarayanan} } @article {44631, title = {Four-step total synthesis of (+)-yaoshanenolides A and B}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {JUN}, pages = {7036-7045}, abstract = {

A highly concise bioinspired four-step total synthesis of yaoshanenolides A and B possessing tricyclic spirolactone with an unusual 5{\textquoteright}H-spiro-[bicyclo[2.2.2]-oct[2] ene-7,2{\textquoteright}-furan]-5{\textquoteright}-one scaffold is reported. This synthesis features high-yielding aldol-type addition of gamma-butyrolactone on to the aldehyde, exocyclic olefination of lactone derivative using Eschenmoser{\textquoteright}s salt, and highly facial-and endo-selective [4 + 2]-cycloaddition of fully functionalized 5-methylene-2(5H)-furanone with natural R-(-)-alpha-phellandrene. The approach allows access to yaoshanenolides A and B in four linear steps in 11 and 13\% overall yield.

}, issn = {2470-1343}, doi = {10.1021/acsomega.8b00701}, author = {Thorat, Sagar S. and Palange, Megha N. and Kontham, Ravindar} } @article {45401, title = {From a helix to a small cycle: metadynamics-inspired alpha v beta 6 integrin selective ligands}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {OCT}, pages = {14645-14649}, type = {Article}, abstract = {The RGD-recognizing alpha v beta 6 integrin has only recently emerged as a major target for cancer diagnosis and therapy. Thus, the development of selective, low-molecular-weight ligands of this receptor is still in great demand. Here, a metadynamics-driven design strategy allowed us to successfully convert a helical nonapeptide into a cyclic pentapeptide (6) showing remarkable potency and alpha v beta 6 specificity. NMR and docking studies elucidated the reasons for the high affinity and selectivity of this compound, setting the ground for the rational design of new alpha v beta 6-specific small peptides or even peptidomimetics. In vivo PET imaging studies demonstrated the potential use of 6 for medical applications.}, issn = { 1433-7851}, doi = {10.1002/anie.201803250}, author = {Di Leva, Francesco Saverio and Tomassi, Stefano and Di Maro, Salvatore and Reichart, Florian and Notni, Johannes and Dangi, Abha and Marelli, Udaya Kiran and Brancaccio, Diego and Merlino, Francesco and Wester, Hans-Juergen and Novellino, Ettore and Kessler, Horst and Marinelli, Luciana} } @article {44481, title = {G-C3N4/NiAl-LDH 2D/2D hybrid heterojunction for high-performance photocatalytic reduction ofco2 into renewable fuels}, journal = {ACS Applied Materials \& Interfaces}, volume = {10}, year = {2018}, month = {JAN}, pages = {2667-2678}, type = {Article }, abstract = {2D/2D interface heterostructures of g-C3N4 and NiAl-LDH are synthesized utilizing strong electrostatic interactions between positively charged 2D NiAl-LDH sheets and negatively charged 2D g-C3N4 nanosheets. This new 2D/2D interface heterojunction showed remarkable performance for photocatalytic CO, reduction to produce renewable fuels such as CO and H-2 under visible-light irradiation, far superior to that of either single phase g-C3N4 or NiAl-LDH nanosheets. The enhancement of photocatalytic activity could be attributed mainly to the excellent interfacial contact at the heterojunction of gC(3)N(4)/NiAl-LDH, which subsequently results in suppressed recombination, and improved transfer and separation of photogenerated charge carriers. In addition, the optimal g-C3N4/NiAl-LDH nanocomposite possessed high photostability after successive experimental runs with no obvious change in the production of CO from CO, reduction. Our findings regarding the design, fabrication and photophysical properties of 2D/2D heterostructure systems may find use in other photocatalytic applications including H-2 production and water purification.}, doi = {10.1021/acsami.7b18835}, author = {Tonda, Surendar and Kumar, Santosh and Bhardwaj, Monika and Yadav, Poonam and Ogale, Satishchandra} } @article {44483, title = {Genetic programming based models for prediction of vapor-liquid equilibrium}, journal = {Calphad-Computer Coupling of Phase Diagrams and Thermochemistry}, volume = {60}, year = {2018}, month = {MAR}, pages = {68-80}, abstract = {The design, operation, and control of chemical separation processes heavily rely on the knowledge of the vapor liquid equilibrium (VLE). Often, conducting experiments to gain an insight into the separation behavior becomes tedious and expensive. Thus, standard thermodynamic models are used in the VLE prediction. Sometimes, exclusively data-driven models are also used in VLE prediction although this method too possesses drawbacks such as a trial and error approach in specifying the data-fitting function. For overcoming these difficulties, this paper employs a machine learning (ML) formalism namely "genetic programming (GP)" possessing certain attractive features for the VLE prediction. Specifically, three case studies have been performed wherein GP-based models have been developed using experimental data, for predicting the vapor phase composition of a ternary, and a group of non ideal binary systems. The inputs to models consists of three pure component attributes (acentric factor, critical temperature, and critical pressure), and as many intensive thermodynamic parameters (liquid phase composition, pressure, and temperature). A comparison of the VLE prediction and generalization performance of the GP-based models with the corresponding standard thermodynamic models reveals that the former class of models possess either superior or closely comparable performance vis-a-vis thermodynamic models. Noteworthy features of this study are: (i) a single GP-based model can predict VLE of a group of binary systems, and (ii) applicability of a GP-based model trained on an alcohol-acetate series data for its higher homolog. The VLE modeling approach exemplified here can be gainfully extended to other ternary and non-ideal binary systems, and for designing corresponding experiments in different pressure and temperature ranges.}, doi = {10.1016/j.calphad.2017.11.002}, author = {Patil-Shinde, Veena and Tambe, Sanjeev S.} } @article {45558, title = {High yield production of cellulose by a komagataeibacter rhaeticus PG2 strain isolated from pomegranate as a new host}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {AUG}, pages = {29797-29805}, type = {Article}, abstract = {Gluconacetobacter xylinus is a well-known organism that produces bacterial cellulose (BC). The present study was undertaken to find an alternative bacteria from a collection of 216 bacterial isolates, which were isolated from different rotten fruits and fermented beverages, to find a better producer of bacterial cellulose. We obtained a potent strain, which produced a high yield of BC from a rotten pomegranate sample, and was further identified as Komagataeibacter rhaeticus strain PG2 using 16S rRNA gene sequence analysis. To date, only two strains of Komagataeibacter rhaeticus are known to produce BC, and these were mainly isolated from a fermented beverage, kombucha. For the first time, we have isolated a BC producing Komagataeibacter rhaeticus strain PG2 from a rotten pomegranate sample. The new host environment and the substrate utilization pattern of strain PG2 reveal efficient bacterial cellulose production. Hestrin{\textendash}Schramm (HS) liquid media containing glycerol as a carbon source resulted in the highest BC production (\~{}6.9 g L-1). A further increased yield of BC (\~{}8.7 g L-1) was obtained by using 3\% (w/v) glycerol concentration, and this BC yield is the highest reported among any of the known Komagataeibacter rhaeticus strains reported. A detailed physico-chemical characterization of the BC membrane obtained from glycerol (Gly-BC) and glucose (Glc-BC) was performed. Interestingly, Gly-BC is found to be more compact and more crystalline in its nature compared to Glc-BC. The present study reveals the isolation of an efficient BC synthesizing strain using glycerol as a low-cost carbon source, confirming the economic feasibility of BC production. The structural characteristics of the BC membrane produced by glycerol were found to be more suitable for various applications.}, doi = {10.1039/c8ra05295f}, author = {Thorat, M.N. and Dastager, S.G.} } @article {45517, title = {Highly efficient field emission properties of radially aligned carbon nanotubes}, journal = {Journal of Materials Chemistry C}, volume = {6}, year = {2018}, month = {MAY}, pages = {6584-6590}, type = {Article}, abstract = {Here, we report extraordinary field emission properties from one pot synthesized aligned carbon nanotubes endowed with related Fe nanoparticles (NPs). The CNT configuration is in the form of a carbon hollow cylinder (CHC) with CNTs radially aligned towards the CHC axis. The structure generates electron field emission properties such as an ultralow turn on field (0.35 V μm-1 at 10 μA cm-2), a low threshold field (0.41 V μm-1 at 100 μA cm-2) and a high field emission current density (7.71 mA cm-2 at 0.78 V μm-1). It also exhibits multi-fold improvement in the field enhancement factor (1.34 {\texttimes} 104) with highly stable current emission at 100 μA measured for 14 h. No post synthesis treatment is required for enhanced field emission characteristics. The growth related Fe NPs assist in lowering the work function and hence enhancing the field emission properties. The possibility of assembling nano-structured field emitters into macroscale architectures suggests new prospects for next generation three dimensional electron sources.}, doi = {10.1039/c8tc00814k}, author = {Tripathi, P. and Gupta, B.K. and Bhatnagar, A and Patel, C.R.P and Banker, P.K. and Late, D.J. and More, M.A. and Lalla, N.P. and Phase, D.M., and Choudhary, R.J. and Shaz, M.A. and Ajayan, P.M. and Srivastava, O.N.} } @article {44233, title = {High-performance field emission device utilizing vertically aligned carbon nanotubes-based pillar architectures}, journal = {AIP Advances}, volume = {8}, year = {2018}, month = {JAN}, pages = {015117}, type = {Article}, abstract = {

The vertical aligned carbon nanotubes (CNTs)-based pillar architectures were created on laminated silicon oxide/silicon (SiO2/Si) wafer substrate at 775 degrees C by using water-assisted chemical vapor deposition under low pressure process condition. The lamination was carried out by aluminum (Al, 10.0 nm thickness) as a barrier layer and iron (Fe, 1.5 nm thickness) as a catalyst precursor layer sequentially on a silicon wafer substrate. Scanning electron microscope (SEM) images show that synthesized CNTs are vertically aligned and uniformly distributed with a high density. The CNTs have approximately 2-30 walls with an inner diameter of 3-8 nm. Raman spectrum analysis shows G-band at 1580 cm(-1) and D-band at 1340 cm(-1). The G-band is higher than D-band, which indicates that CNTs are highly graphitized. The field emission analysis of the CNTs revealed high field emission current density (4mA/cm(2) at 1.2V/mu m), low turn-on field (0.6 V/mu m) and field enhancement factor (6917) with better stability and longer lifetime. Emitter morphology resulting in improved promising field emission performances, which is a crucial factor for the fabrication of pillared shaped vertical aligned CNTs bundles as practical electron sources. (c) 2018 Author(s).

}, issn = {2158-3226}, doi = {10.1063/1.5004769}, author = {Gupta, Bipin Kumar and Kedawat, Garima and Gangwar, Amit Kumar and Nagpal, Kanika and Kashyap, Pradeep Kumar and Srivastava, Shubhda and Singh, Satbir and Kumar, Pawan and Suryawanshi, Sachin R. and Seo, Deok Min and Tripathi, Prashant and More, Mahendra A. and Srivastava, O. N. and Hahm, Myung Gwan and Late, Dattatray J.} } @article {44351, title = {In situ phase transformation synthesis of unique Janus Ag2O/Ag2CO3 heterojunction photocatalyst with improved photocatalytic properties}, journal = {Applied Surface Science}, volume = {445}, year = {2018}, month = {JUL}, pages = {555-562}, type = {Article}, abstract = {Herein, Ag2O/Ag2CO3 nanocomposite with unique Janus morphology was synthesized by a facile ion-exchange followed by an in situ phase transformation method with precise control of its nucleation and growth processes. Contrary to conventional synthetic procedures of Janus architectures, the present Janus system was constructed without the need for surfactants or toxic chemicals. Most importantly, the visible-light-absorbing Janus Ag2O/Ag2CO3 nanocomposite exhibits a remarkable performance toward the degradation of Rhodamine B and 4-chlorophenol, far superior to that observed for bare Ag2CO3. The obvious enhancement of the photocatalytic performance of this nanocomposite is mainly attributed to the intimate Ag2O/Ag2CO3 interface created by its exceptional Janus architecture, which in turn allows for rapid charge transfer processes. Additionally, the Janus system exhibited a high photostability during recycling experiments with no significant change in the degradation activity. (C) 2018 Published by Elsevier B.V.}, doi = {10.1016/j.apsusc.2018.03.194}, author = {Jo, Wan-Kuen and Kumar, Santosh and Yadav, Poonam and Tonda, Surendar} } @article {44396, title = {Ion pairing in 1-butyl-3-methylpyridinium halide ionic liquids studied using NMR and DFT calculations}, journal = {Physical Chemistry Chemical Physics}, volume = {20}, year = {2018}, month = {APR}, pages = {11470-11480}, abstract = {We present the H-1, C-13 and N-15 NMR chemical shifts of bulk ionic liquids based on 1-butyl-3-methylimidazolium (the cation also known as 1-butyl-3-picolinium) halides (Cl-, Br- and I-) and tribromide (Br-3(-)) salts. A characterization in solution of the analogous ICl2- and I-3(-) salts is also reported. A series of DFT calculations has been run to predict the features of the NMR spectra of the pure ILs based on a few selected supramolecular ionic aggregates. To test the effect of temperature, and vibrational and conformational motions, only for the chloride salt, we also run first-principles molecular dynamics simulations of the ion pair in the gas phase, using the ADMP scheme (Atom Centered Density Matrix Propagation molecular dynamics model). The aim of our investigation is to test whether a simple DFT based approach of ion-pairing in ionic liquids is capable of providing reliable results and under which conditions the protocol is robust. We obtained a very good agreement between the calculated and experimental spectra for the three halides, where the bulk structure of the ILs is dominated by H-bond interactions between the X- anion (X = Cl, Br and I) and the ortho protons of the pyridinium ring (a structural arrangement not too different from the solid-state structure of pyridinium halides). In contrast, when the H-bond is weak, as in the Br-3(-) case, a number of supramolecular arrangements exist in solution and the simple DFT calculations of a few selected cases cannot exhaustively explore the complete energy landscape. Moreover, the dynamic effects due to thermal motion, evaluated by ADMP MD simulations of the chloride salt, appear to be not very significant.}, doi = {10.1039/c8cp01557k}, author = {Swamy, Vincent P. and Thulasiram, Hirekodathakallu V. and Rastrelli, Federico and Saielli, Giacomo} } @article {45526, title = {Kinetic investigation for the catalytic reduction of nitrophenol using ionic liquid stabilized gold nanoparticles}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {NOV}, pages = {38384-38390}, type = {Article}, abstract = {We demonstrate the synthesis of gold nanoparticles (AuNP) stabilized by 1-butyl-3-hexadecyl imidazolium bromide (Au@[C4C16Im]Br) and their use as a catalyst for the reduction of nitrophenol. The AuNPs show excellent stability in presence of [C4C16Im]Br ionic liquids for the reduction of 4-nitrophenol and 2-nitrophenol using NaBH4 as a reducing agent. The detailed kinetics for the reduction of 4-nitrophenol and 2-nitrophenol were investigated and the catalytic activity of Au@[C4C16Im]Br was evaluated. The pseudo first-order rate constant (kapp) values for 4-nitrophenol was observed to be greater than that of 2-nitrophenol and explained on the basis of hydrogen bonding present in 2-nitrophenol. Au@[C4C16Im]Br showed good separability and reusability and hence, it can be used for the complete reduction of nitrophenols in multiple cycles. The Langmuir{\textendash}Hinshelwood reaction mechanism is elucidated for reduction of 4-nitrophenol by Au@[C4C16Im]Br nanocatalyst on the basis of the kapp values. The thermodynamic activation parameters such as activation energy, enthalpy of activation and entropy of activation were determined and explained using the temperature dependent kinetics for the reduction of nitrophenol using Au@[C4C16Im]Br. The above results reveal that the Au@[C4C16Im]Br nanocatalyst demonstrates excellent catalytic performance for the reduction of nitrophenol by NaBH4 at room temperature. }, doi = {10.1039/c8ra07404f}, author = {Thawarkar, S.R. and Thombare, B. and Munde, B.S. and Khupse, N.D.} } @article {45355, title = { KLTL-MCM-41 micro-mesoporous composite as a solid base for the hydrogenation of sugars }, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {DEC}, pages = { 6429-6440}, type = {Article}, abstract = {An approach to the synthesis of KLTL-MCM-41 micro-mesoporous composites of varying SiO2/Al2O3 molar ratio (20-8) was designed by following green technology. The synthesis was based on the recycling of waste mother liquor containing preformed KLTL zeolite crystals and unutilized reagents. The micro-mesoporous composites consist of KLTL zeolite crystals preformed through hydrothermal treatment in the first step. In the second step, the siliceous mother liquor was transformed into mesoporous MCM-41. The physico-chemical properties of the KLTL-MCM-41 micro-mesoporous composites were determined by PXRD, ICP-OES, FTIR, CO2-TPD, Al-27 MAS-NMR, TEM-EDX, HRTEM, and N-2 adsorption-desorption measurements. The mesopores properties of the KLTL-MCM-41 composites depended on the SiO2/Al2O3 molar ratio. The characterization results led to the following conclusions with decreasing SiO2/Al2O3 molar ratio: 1) decreasing order of the mesophase, 2) decreasing wall thickness of the mesopores, and 3) decreasing BET surface area and pore volume. Al-27 MAS-NMR spectra showed that only tetrahedrally coordinated aluminium was contained in zeolite KLTL. Moreover, the total amount and the strength of the basic sites of the KLTL-MCM-41 micro-mesoporous composites owing to the exchangeable potassium content (Al/K ratio approximate to 1) decreased in the order: 8 MMC > 10 MMC > 15 MMC > 20 MMC. The catalytic activity of the synthesized micro-mesoporous samples as a solid base was tested for the hydrogenation of xylose to sugar alcohols}, issn = {2044-4753}, doi = {10.1039/c8cy01716f}, author = {Tangale, Nilesh P. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Dhepe, Paresh L.} } @article {45472, title = {Limonene inhibits Candida albicans growth by inducing apoptosis}, journal = {Medical Mycology}, volume = {56}, year = {2018}, month = {JUL}, pages = { 565-578}, type = {Article}, abstract = {

Anti-Candida potential of limonene was evaluated against planktonic growth, biofilm (adhesion, development and maturation) and morphogenesis of Candida albicans in this study. Limonene is a major constituent of citrus oil and most frequently used terpene in food and beverage industry due to its pleasant fragrance, nontoxic, and is generally recognized as safe (GRAS) flavoring agent as well as treatment option in many gastrointestinal diseases. Limonene exhibited excellent anti-Candida activity and was equally effective against planktonic growth of C. albicans isolates differentially susceptible to FLC (N = 35). Limonene inhibited morphogenesis significantly at low concentration. However, it showed stage dependent activity against biofilm formation, that is, it was more effective against adhesion followed by development and maturation. Limonene also exhibited excellent synergy with FLC against planktonic and biofilm growth. SWATH-MS analysis led to identification of limonene responsive proteins that provided molecular insight of its anti-Candida activity. Proteomic analysis revealed upregulation of proteins involved in cell wall glucan synthesis (Kre6); oxidative stress (Rhr2, Adh7 and Ebp1); DNA damage stress (Mbf1 and Npl3); nucleolar stress (Rpl11, Rpl7, Rpl29, Rpl15) and down regulation of cytoskeleton organization (Crn1, Pin3, Cct8, Rbl2), and so forth, in response to limonene. Limonene mediated down regulation of Tps3 indicates activation of caspase (CaMca1) and induction of apoptosis in C. albicans. These results suggest that limonene inhibits C. albicans growth by cell wall/membrane damage induced oxidative stress that leads to DNA damage resulting into modulation of cell cycle and induction of apoptosis through nucleolar stress and metacaspase dependent pathway.

}, issn = {1369-3786}, doi = {10.1093/mmy/myx074}, author = {Thakre, Archana and Zore, Gajanan and Kodgire, Santosh and Kazi, Rubina and Mulange, Shradha and Patil, Rajendra and Shelar, Amruta and Santhakumari, Bayitigeri and Kulkarni, Mahesh J. and Kharat, Kiran and Karuppayil, Sankunny Mohan} } @article {44514, title = {Lipase catalyzed synthesis of antimicrobial andrographolide derivatives}, journal = {Data in Brief}, volume = {18}, year = {2018}, month = {JUN}, pages = {1134-1141}, abstract = {In this data article we describe screening of various lipases for the regioselective acylation of Andrographolide. Each lipase was screened with seven acyl donors. Amano lipase AK from Pseudomonas fluorescens was used for the synthesis of two new acylated andrographolide derivatives. Two new compounds, andrographolide-14-propionate and andrographolide-14-caproate were characterized by various spectral studies. These two derivatives showed more antimicrobial activity than andrographolide.}, doi = {10.1016/j.dib.2018.03.103}, author = {Patil, Harshal S. and Jadhav, Dipesh and Paul, Ajay and Mulani, Fayaj Alam and Karegaonkar, Shrikant J. and Thulasiram, Hirekodathakallu V.} } @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 {44354, title = {Magnetically tunable liquid dielectric with giant dielectric permittivity based on core-shell superparamagnetic iron oxide}, journal = {Nanotechnology}, volume = {29}, year = {2018}, month = {JUL}, pages = {Article Number: 265707}, type = {Article}, abstract = {A liquid dielectric based on a core-shell architecture having a superparamagnetic iron oxide core and a shell of silicon dioxide was synthesized. The frequency dependence of dielectric properties was evaluated for different concentrations of iron oxide. The dependence of magnetic field on the dielectric properties was also studied. Aqueous ferrofluid exhibited a giant dielectric constant of 6.4 x 10(5) at 0.1 MHz at a concentration of 0.2 vol\% and the loss tangent was 3. The large rise in dielectric constant at room temperature is modelled and explained using percolation theory and Maxwell-Wagner-Sillars type polarization. The ferrofluid is presumed to consist of nanocapacitor networks which are wired in series along the lateral direction and parallel along longitudinal direction. On the application of an external magnetic field, the chain formation and its alignment results in the variation of dielectric permittivity.}, doi = {10.1088/1361-6528/aabc4e}, author = {Vinayasree, S. and Nitha, T. S. and Tiwary, C. S. and Ajayan, P. M. and Joy, P. A. and Anantharaman, M. R.} } @article {44516, title = {Mechanism of the formation of microphase separated water clusters in a water-mediated physical network of perfluoropolyether tetraol}, journal = {Soft Matter}, volume = {14}, year = {2018}, month = {MAR}, pages = {2339-2345}, abstract = {

Perfluoropolyether tetraol (PFPE tetraol) possesses a hydrophobic perfluoropolyether chain in the backbone and two hydroxyl groups at each chain terminal, which facilitates the formation of hydrogen bonds with water molecules resulting in the formation an extended physical network. About 3 wt\% water was required for the formation of the microphase separated physical network of PFPE tetraol. The mechanism responsible for the microphase separation of water clusters in the physical network was studied using a combination of techniques such as NMR spectroscopy, molecular dynamics (MD) simulations and DSC. MD simulation studies provided evidence for the formation of clusters in the PFPE tetraol physical network and the size of these clusters increased gradually with an increase in the extent of hydration. Both MD simulations and NMR spectroscopy studies revealed that these clusters position themselves away from the hydrophobic backbone or vice versa. The presence of intra-and inter-chain aggregation possibility among hydrophilic groups was evident. DSC results demonstrated the presence of tightly and loosely bound water molecules to the terminal hydroxyl groups of PFPE tetraol through hydrogen bonding. The data from all the three techniques established the formation of a physical network driven by hydrogen bonding between the hydrophilic end groups of PFPE tetraol and water molecules. The flexible nature of the PFPE tetraol backbone and its low solubility parameter favour clustering of water molecules at the terminal groups and result in the formation of a gel.

}, issn = {1744-683X}, doi = {10.1039/c7sm02181j}, author = {Deshpande, Ashwini A. and Torris, Arun A. T. and Pahari, Swagata and Menon, Shamal K. and Badiger, Manohar V. and Rajamohanan, P. R. and Wadgaonkar, Prakash P. and Roy, Sudip and Tonelli, Claudio} } @article {45354, title = {Metal-free synthesis of 3-thiocyanatobenzothiophenes by eosin Y photoredox-catalyzed cascade radical annulation of 2-alkynylthioanisoles}, journal = {European Journal of Organic Chemistry}, year = {2018}, month = {SEP}, pages = { 4867-4873}, type = {Article}, abstract = {

A convenient, efficient, metal-free synthesis of 3-thiocyanatobenzothiophenes has been developed that uses eosin Y in a visible-light-mediated photoredox-catalyzed anion oxidation of the ammonium salt of thiocyanate and proceeds through the cascade radical annulation of 2-alkynylthioanisole at room temperature. The present protocol requires visible light as a green energy source, an organic dye as the photocatalyst, and oxygen as a green oxidant to provide a mild route with a broad substrate scope for the formation of potentially bioactive 3-substituted benzothiophene derivatives in good yields.

}, doi = {10.1002/ejoc.201800833}, author = {Tambe, Shrikant D. and Jadhav, Mahesh S. and Rohokale, Rajendra S. and Kshirsagar, Umesh A.} } @article {44594, title = {MiRNA160 is associated with local defense and systemic acquired resistance against Phytophthora infestans infection in potato}, journal = {Journal of Experimental Botany}, volume = {69}, year = {2018}, month = {APR }, pages = {2023-2036}, abstract = {

To combat pathogen infection, plants employ local defenses in infected sites and elicit systemic acquired resistance (SAR) in distant tissues. MicroRNAs have been shown to play a significant role in local defense, but their association with SAR is unknown. In addition, no such studies of the interaction between potato and Phytophthora infestans have been reported. We investigated the role of miR160 in local and SAR responses to P. infestans infection in potato. Expression analysis revealed induced levels of miR160 in both local and systemic leaves of infected wild-type plants. miR160 overexpression and knockdown plants exhibited increased susceptibility to infection, suggesting that miR160 levels equivalent to those of wild-type plants may be necessary for mounting local defense responses. Additionally, miR160 knockdown lines failed to elicit SAR, and grafting assays indicated that miR160 is required in both local and systemic leaves to trigger SAR. Consistently, SAR-associated signals and genes were dysregulated in miR160 knockdown lines. Furthermore, analysis of the expression of defense and auxin pathway genes and direct regulation of StGH3.6, a mediator of salicylic acid-auxin cross-talk, by the miR160 target StARF10 revealed the involvement of miR160 in antagonistic cross-talk between salicylic acid-mediated defense and auxin-mediated growth pathways. Overall, our study demonstrates that miR160 plays a crucial role in local defense and SAR responses during the interaction between potato and P. infestans.

}, keywords = {Auxin-salicylic acid antagonism, microRNA, miR160, Phytophthora infestans, Solanum chacoense, Solanum tuberosum, systemic acquired resistance}, issn = {0022-0957}, doi = {10.1093/jxb/ery025}, author = {Natarajan, Bhavani and Kalsi, Harpreet S. and Godbole, Prajakta and Malankar, Nilam and Thiagarayaselvam, Aarthy and Siddappa, Sundaresha and Thulasiram, Hirekodathakallu V. and Chakrabarti, Swarup K. and Banerjee, Anjan K.} } @article {44590, title = {Modeling the universal viscoelastic response of polymer fibers}, journal = {Physical Review Materials}, volume = {2}, year = {2018}, month = {JUN}, pages = {062601}, abstract = {

Polymer fibers, including natural silk and synthetic fibers, exhibit universal viscoelastic response. On stretching below yield, they show logarithmic stress decay. On unloading fibers with a glassy amorphous phase, the stress recovers. A simple phenomenological model accurately describes data from independent mechanical experiments and provides insights into the micro structural origins of the fiber response. Counter to intuition, the model indicates that it is the crystalline regions, rather than the amorphous glass, that deform first on stretching fibers at high strain rates. On holding a stretched fiber, stress decays as a consequence of relaxations in amorphous regions. Finally, unloading the fiber transfers stress from the amorphous to crystalline regions resulting in stress recovery. Model parameters correlate well with the fiber microstructure. Crystal and amorphous moduli from the model match those from x-ray diffraction. Activation energies for the temperature dependence of the peak relaxation time are similar to those reported in the literature. Thus, a simple model that invokes only crystal-amorphous coexistence can successfully model the mechanical response of a wide variety of polymer fibers.

}, issn = {2475-9953}, doi = {10.1103/PhysRevMaterials.2.062601}, author = {Sharma, Aakash and Kumaraswamy, Guruswamy and Thakre, Shirish} } @article {44637, title = {Morphological ensembles of N-doped porous carbon derived from ZIF-8/Fe-graphene nanocomposites: processing and electrocatalytic studies}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {AUG}, pages = {8688-8697}, abstract = {

Engineering the active site density of porous carbon catalysts for enhanced electrocatalytic activity is the current focus in the quest for economically viable fuel cells. Herein, we synthesise ZIF-8/Fe-graphene composites for the formation of N and Fe co-doped carbon with diverse morphologies ranging from tubes and sheets to frameworks of carbon. A synthetic strategy involving the one pot synthesis of ZIF-8 based composites is accomplished by the reaction of 2-methylimidazole with mixed Zn/Fe salt solution containing graphene dispersions. The high temperature heat treatment of this precursor mix yielded micro-meso porous architectures of N, Fe co-doped carbon with dispersions of Fe/Fe3C. An onset potential value of 0.95 V and a half-wave potential of 0.82 V coupled with excellent durability and stability in alkaline medium indicated improved electrocatalytic performances over its commercial Pt/C counterpart. The appreciable electrocatalytic properties of the synthesized carbon are attributed to its morphological diversity, hybrid structure, high N doping and its heteroporous characteristics. The dispersed Fe/Fe3C and FeNx sites facilitated enhanced oxygen adsorption and the graphene inclusions in the composite provided retention of high nitrogen contents.

}, keywords = {electrocatalyst, fuel cell, N- Fe co-doped carbon, oxygen reduction reaction, ZIF-8}, issn = {2365-6549}, doi = {10.1002/slct.201801419}, author = {Thomas, Minju and Illathvalappil, Rajith and Kurungot, Sreekumar and Nair, Balagopal N. and Mohamed, A. Peer and Anilkumar, Gopinathan M. and Yamaguchi, Takeo and Hareesh, U. S.} } @article {45579, title = {Nonconventional method for drying of Pseudomonas aeruginosa and its comparison with conventional methods}, journal = {Drying Technology}, volume = {37}, year = {2018}, month = {MAY}, pages = {839-853}, type = {Article}, abstract = {

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

}, keywords = {cell survival, Encapsulation, freeze drying, Low-temperature low-humidity (LTLH) drying, Pseudomonas aeruginosa, spray drying}, issn = {0737-3937}, doi = {10.1080/07373937.2018.1469140}, author = {Umashankar, K., and Chandralekha, A. and Dandavate, T., and Tavanandi, H. A. and Raghavarao, K. S. M. S.} } @article {44649, title = {Nutritional quality and antioxidant activity of wheatgrass (Triticum aestivum) unwrap by proteome profiling and DPPH and FRAP assays}, journal = {Journal of Food Science}, volume = {83}, year = {2018}, month = {AUG}, pages = {2127-2139}, abstract = {

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

}, keywords = {Antioxidant, LC-MSE, peroxidase, proteomics, Triticum aestivum, wheatgrass}, issn = {0022-1147}, doi = {10.1111/1750-3841.14224}, author = {Parit, Santosh B. and Dawkar, Vishal V. and Tanpure, Rahul S. and Pai, Sandeep R. and Chougale, Ashok D.} } @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 {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 {44346, title = { Photo-induced surface modification to improve the performance of lead sulfide quantum dot solar}, journal = {Journal of Colloid and Interface Science}, volume = {522}, year = {2018}, month = {JUL}, pages = {120-125}, type = {Article}, abstract = {The solution-processed quantum dot (QD) solar cell technology has seen significant advancements in recent past to emerge as a potential contender for the next generation photovoltaic technology. In the development of high performance QD solar cell, the surface ligand chemistry has played the important role in controlling the doping type and doping density of QD solids. For instance, lead sulfide (PbS) QDs which is at the forefront of QD solar cell technology, can be made n-type or p-type respectively by using iodine or thiol as the surfactant. The advancements in surface ligand chemistry enable the formation of p-n homojunction of PbS QDs layers to attain high solar cell performances. It is shown here, however, that poor Fermi level alignment of thiol passivated p-type PbS QD hole transport layer with the n-type PbS QD light absorbing layer has rendered the photovoltaic devices from realizing their full potential. Here we develop a control surface oxidation technique using facile ultraviolet ozone treatment to increase the p-doping density in a controlled fashion for the thiol passivated PbS QD layer. This subtle surface modification tunes the Fermi energy level of the hole transport layer to deeper values to facilitate the carrier extraction and voltage generation in photovoltaic devices. In photovoltaic devices, the ultraviolet ozone treatment resulted in the average gain of 18\% in the power conversion efficiency with the highest recorded efficiency of 8.98\%. (C) 2018 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.jcis.2018.03.047}, author = {Tulsani, Srikanth Reddy and Rath, Arup Kumar} } @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.} } @inbook {45584, title = {Polymer grafted smart mesoporous silica nanoparticles: challenges and advances in controlled drug delivery applications}, year = {2018}, pages = {29-64}, publisher = { Nova Science Publishers, Inc.}, organization = { Nova Science Publishers, Inc.}, chapter = {Polymer grafted smart mesoporous silica nanoparticles: challenges and advances in controlled drug delivery applications}, abstract = {The application of nanoparticles to intracellular drug delivery has attracted increasing attention in the last few decades. Among them, mesoporous silica nanoparticles (MSNs) have emerged as promising nanomaterials which have shown great potential towards incubation of both hydrophobic and hydrophilic drugs and their further internalization at the targeted site in physiological environment for the treatment of large number of diseases. Excellent properties of MSNs such as good stability control over morphology and tunable particle size and the pore structure gives them an edge over other organic or inorganic based nanoparticles. With these properties, there is a great scope in designing novel MSNs with functionalization at the surface as well as within the pores using biocompatible and biodegradable polymers, stimuli responsive groups, proteins etc. MSNs have shown great potential in biotechnological and biomedical applications. Efforts are also made to increase the biocompatibility and circulation time of drug loaded MSNs by coating various polymers onto the surface of MSNs. Extensive work on MSNs has been reported in the literature which is however scattered. In the present chapter, we have dealt with the advances made in MSNs as controlled and targeted drug delivery systems using either synthetic or natural polymers specifically towards cancer treatment.}, url = {https://www.scopus.com/inward/record.url?eid=2-s2.0-85058506495\&partnerID=40\&md5=a68094fd7368110b5dd0c00f212d7ab8}, author = {Badiger, M. V. and Tiwari, N.} } @article {44550, title = {Polysulfide-triggered fluorescent indicator suitable for super-resolution microscopy and application in imaging}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {APR}, pages = {3735-3738}, abstract = {

A new physiologically benign and cell membrane permeable BODIPY based molecular probe, MB-S-n, specifically senses intracellular hydrogen polysulfides (H2Sn, n \> 1) localized in the endoplasmic reticulum. This reagent is suitable for mapping the intracellular distribution of H2Sn by wide-field as well as super-resolution Structured Illumination Microscopy (SIM).

}, issn = {1359-7345}, doi = {10.1039/c8cc01332b}, author = {Hoskere, Anila A. and Sreedharan, Sreejesh and Ali, Firoj and Smythe, Carl G. and Thomas, Jim A. and Das, Amitava} } @article {45498, title = {Prediction of coal ash fusion temperatures using computational intelligence based models}, journal = {International Journal of Coal Science and Technology}, volume = {4}, year = {2018}, month = {DEC}, pages = {486-507}, type = {Article}, abstract = {

In the coal-based combustion and gasification processes, the mineral matter contained in the coal (predominantly oxides), is left as an incombustible residue, termed ash. Commonly, ash deposits are formed on the heat absorbing surfaces of the exposed equipment of the combustion/gasification processes. These deposits lead to the occurrence of slagging or fouling and, consequently, reduced process efficiency. The ash fusion temperatures (AFTs) signify the temperature range over which the ash deposits are formed on the heat absorbing surfaces of the process equipment. Thus, for designing and operating the coal-based processes, it is important to have mathematical models predicting accurately the four types of AFTs namely initial deformation temperature, softening temperature, hemispherical temperature, and flow temperature. Several linear/nonlinear models with varying prediction accuracies and complexities are available for the AFT prediction. Their principal drawback is their applicability to the coals originating from a limited number of geographical regions. Accordingly, this study presents computational intelligence (CI) based nonlinear models to predict the four AFTs using the oxide composition of the coal ash as the model input. The CI methods used in the modeling are genetic programming (GP), artificial neural networks, and support vector regression. The notable features of this study are that the models with a better AFT prediction and generalization performance, a wider application potential, and reduced complexity, have been developed. Among the CI-based models, GP and MLP based models have yielded overall improved performance in predicting all four AFTs.

}, issn = {20958293}, doi = {10.1007/s40789-018-0213-6}, author = {Tambe, S.S. and Naniwadekar, M. and Tiwary, S. and Mukherjee, A. and Das, T. B.} } @article {45592, title = {Recursive orthogonal least squares based adaptive control of a polymerisation reactor}, journal = {Indian Chemical Engineer}, year = {2018}, month = {NOV}, type = {Article}, abstract = {A Nonlinear Internal Model Control (NIMC) scheme, based on a recursively updated Radial Basis Function Network (RBFN), is applied to control the nonlinear Polymerisation process. Recursive Orthogonal Least Squares (ROLS) algorithm recursively updates the weighting matrix of RBFN in real time, such that modelling errors are minimised. In addition to the ROLS based adaptive IMC, a non-adaptive IMC, based on the fixed Orthogonal Least Squares (OLS) algorithm and a normal PID controller are also applied to control the polymerisation process. The simulated results show the effectiveness of the ROLS based controller in terms of response time to step changes and disturbance rejection capabilities over the classical PID controller and the fixed OLS based IMC. Also, the proposed algorithm fits well in the IMC framework}, doi = {10.1080/00194506.2018.1545605}, author = {Tiwari, S. and Sawant, P. and Rahman, I.} } @article {44556, title = {Regioselective and efficient enzymatic synthesis of antimicrobial andrographolide derivatives}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {28}, year = {2018}, month = {APR }, pages = {1132-1137}, abstract = {

Labdane diterpene andrographolide (1) is a major constituent of Andrographis paniculata and known to exhibit wide spectrum of biological activities. In this study, regioselective monoesters of (1) have been synthesized by using Amano lipase AK (Pseudomonas fluorescens) as a biocatalyst. Amano lipase AK was able to execute highly efficient esterification of hydroxyl group attached to C-14 carbon of (1) in presence of acyl donors. Among the various synthesized derivatives including two novel compounds such as andrographolide-14-propionate (3) and andrographolide-14-caproate (5) displayed antimicrobial activity against Staphylococcus aureus with low minimal inhibitory concentration (MIC) 4 mu g/mL and 16 mu g/mL respectively. Furthermore, they have shown low hemolysis activity at their respective MIC and increase in the permeability of the bacterial cell membrane as delineated by FITC uptake and SEM imaging studies. (C) 2018 Elsevier Ltd. All rights reserved.

}, keywords = {Acylation, Andrographolide, Antimicrobial activity, biocatalysis, Hemolysis, Lipase, Natural product}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2018.01.007}, author = {Patil, Harshal S. and Jadhav, Dipesh D. and Paul, Ajay and Mulani, Fayaj A. and Karegaonkar, Shrikant J. and Thulasiram, Hirekodathakallu V.} } @article {44643, title = {Repeated photoporation with graphene quantum dots enables homogeneous labeling of live cells with extrinsic markers for fluorescence microscopy}, journal = {Light-Science \& Applications}, volume = {7}, year = {2018}, month = {AUG}, pages = {47}, abstract = {

In the replacement of genetic probes, there is increasing interest in labeling living cells with high-quality extrinsic labels, which avoid over-expression artifacts and are available in a wide spectral range. This calls for a broadly applicable technology that can deliver such labels unambiguously to the cytosol of living cells. Here, we demonstrate that nanoparticle-sensitized photoporation can be used to this end as an emerging intracellular delivery technique. We replace the traditionally used gold nanoparticles with graphene nanoparticles as photothermal sensitizers to permeabilize the cell membrane upon laser irradiation. We demonstrate that the enhanced thermal stability of graphene quantum dots allows the formation of multiple vapor nanobubbles upon irradiation with short laser pulses, allowing the delivery of a variety of extrinsic cell labels efficiently and homogeneously into live cells. We demonstrate high-quality time-lapse imaging with confocal, total internal reflection fluorescence (TIRF), and Airyscan super-resolution microscopy. As the entire procedure is readily compatible with fluorescence (super resolution) microscopy, photoporation with graphene quantum dots has the potential to become the long-awaited generic platform for controlled intracellular delivery of fluorescent labels for live-cell imaging.

}, issn = {2047-7538}, doi = {10.1038/s41377-018-0048-3}, author = {Liu, Jing and Xiong, Ranhua and Brans, Toon and Lippens, Saskia and Parthoens, Eef and Zanacchi, Francesca Cella and Magrassi, Raffaella and Singh, Santosh K. and Kurungot, Sreekumar and Szunerits, Sabine and Bove, Hannelore and Ameloot, Marcel and Fraire, Juan C. and Teirlinck, Eline and Samal, Sangram Keshari and De Rycke, Riet and Houthaeve, Gaelle and De Smedt, Stefaan C. and Boukherroub, Rabah and Braeckmans, Kevin} } @article {44588, title = {Role of oxygen vacancies and interstitials on structural phase transition, grain growth, and optical properties of Ga doped TiO2}, journal = {Journal of Applied Physics}, volume = {123}, year = {2018}, month = {JUN}, pages = {Article Number: 245702}, abstract = {A systematic study on the effect of gallium (Ga) doping (0 <= x <= 0.10) on the structural phase transition and grain growth of TiO2 is reported here. X-ray diffraction spectroscopy and Raman spectroscopy confirm that Ga doping inhibits the phase transition. Activation energy increases from 125 kJ/mol (x = 0.00) to 300 kJ/mol (x = 0.10) upon Ga incorporation. X-ray photoelectron spectroscopy shows the presence of Ti3+/Ga3+ interstitials, substitution (Ti4+ by Ga3+), and oxygen vacancies in the samples. At lower doping (x <= 0.05), interstitials play a more significant role over substitution and oxygen vacancies, thereby resulting in a considerable lattice expansion. At higher doping (x >= 0.05), the effect of interstitials is compensated by both the effect of substitution and oxygen vacancies, thereby resulting in relatively lesser lattice expansion. Inhibition of the phase transition is the result of this lattice expansion. The crystallite size (anatase) and particle size (rutile) both are reduced due to Ga incorporation. It also modifies optical properties of pure TiO2 by increasing the bandgap (from 3.06 to 3.09 eV) and decreasing the Urbach energy (from 58.59 to 47.25 meV). This happens due to regularization of the lattice by the combined effect of substitution/ interstitials and oxygen vacancies. Published by AIP Publishing.}, doi = {10.1063/1.5027672}, author = {Khatun, Nasima and Tiwari, Saurabh and Vinod, C. P. and Tseng, Chuan-Ming and Liu, Shun Wei and Biring, Sajal and Sen, Somaditya} } @article {44565, title = {Role of palladium crystallite size on CO oxidation over CeZrO 4-δ supported Pd catalysts}, journal = {Journal of Molecular Catalysis }, volume = {455}, year = {2018}, month = {AUG}, abstract = {Photodeposited palladium on nanocrystalline CeZrO 4-δ support was evaluated for CO oxidation, as a function of particle size and pre-treatment. All the catalysts were well characterized by XRD, SEM, EDX, TEM, CO chemi-sorption and Raman spectroscopy. It was observed that change in photodeposition time alters the average crystallite size of Pd, and the same was confirmed by CO chemisorption. 7 nm average crystallite size of Pd exhibited excellent catalytic activity for CO oxidation. In order to understand the effect of support and metal-support interaction, 1 wt\% Pd was deposited deliberately onto reduced and oxidized CeZrO 4-δ support. The reduced support with anionic vacancies and more Ce 3+ species exhibited an improvement in CO oxidation at onset temperature. Detailed analysis shows that Pd-deposition occurs preferentially at oxygen-vacancy sites and subsequent metal-support interaction influences the catalysis.}, doi = {10.1016/j.mcat.2018.05.021}, author = {Burange, Anand S. and Reddy, Kasala Prabhakr and Gopinath, Chinnakonda and Shukla, Rakesh and Tyagi, Avesh K.} } @article {44190, title = {Rufinamide: crystal structure elucidation and solid state characterization}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {149}, year = {2018}, month = {FEB}, pages = {185-192}, type = {Article}, abstract = {

Rufinamide (R) is a triazole derivative approved for the management of partial seizures and seizures associated with Lennox-Gastaut Syndrome, in November 2007. Crystal structure, solid state characterization, drug-excipient compatibility and solubility play a pivotal role in formulation development. This work deals with the crystal structure elucidation of R by single crystal X-ray diffraction and solid state characterization by thermal, spectroscopic and crystallographic techniques. Drug- excipient compatibility was assessed by differential scanning calorimetry (DSC). New RP-HPLC method for quantification of R was developed with improved retention time. Solubility and dissolution of drug in different media was determined. Additionally, the flow behavior of the drug was evaluated by measuring Carr{\textquoteright}s index and Hausner{\textquoteright}s ratio, while the compressibility behavior was studied using Well{\textquoteright}s protocol. R crystallized from dimethylformamide (R-DMF) was utilized for single crystal analysis. The drug crystallized in triclinic crystal system with P-1 space group. Asymmetric unit cell consists of two molecules of R held by intermolecular hydrogen bond (connected by N-H center dot center dot center dot O, which forms the catemeric chain). Analytical outcomes from DSC, thermogravimetric analysis (TGA) and powder X-ray diffraction (PXRD) revealed that the drug was present in pure crystalline form and was devoid of any polymorphic or pseudopolymorphic impurities. Influence of pH on the solubility and dissolution of R-DMF was found to be insignificant. The drug exhibited poor aqueous solubility, which was improved nearly 4.6 fold with the addition of 2\% sodium lauryl sulphate (SLS). The drug exhibits poor flow and elastic compression nature. Excipients such as poly ethylene glycol (PEG) 8000, SLS, lactose monohydrate, starch and Hydroxypropyl methylcellulose (HPMC) E15 were incompatible with R-DMF as identified by thermal analysis. It is envisaged that these information regarding solid state properties of R-DMF would aid in identifying a logical path for formulation development. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Compressibility, Dissolution media, DSC, HPLC method, solubility}, issn = {0731-7085}, doi = {10.1016/j.jpba.2017.11.003}, author = {Salunke, Nita and Thipparaboina, Rajesh and Chavan, Rahul B. and Lodagekar, Anurag and Mittapalli, Sudhir and Nangia, Ashwini and Shastri, Nalini R.} } @article {45523, title = {Structural characterization and magnetic properties of undoped and copper-doped cobalt ferrite nanoparticles prepared by the octanoate coprecipitation route at very low dopant concentrations}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {NOV}, pages = {38621-38630}, abstract = {Nanoparticles of undoped and copper-doped cobalt ferrite Co1-xCuxFe2O4 at very low dopant concentrations (x = 0; 0.02; 0.04; 0.06; 0.08) were successfully synthesized by pyrolysis of the corresponding hetero metal octanoate precursors obtained via coprecipitation using the octanoate ligand as precipitating agent. The precursors were then characterized by FTIR, ICP-AES and TG-DTA analyses and the results reveal the formation of a copper-cobalt-iron hydroxooctanoate represented by the formula [Co1-xCuxFe2(C8H15O2)6(OH)2{\textperiodcentered}2H2O]. The decomposition products obtained upon pyrolysis in air at 400 {\textdegree}C for 3 h were characterized by FTIR, XRD, SEM, TEM, XPS and VSM analyses. FTIR and XRD analyses showed the formation of a single phase mixed spinel ferrite while TEM analysis showed that the particles have a spherical shape with a mean size of 20 nm and form spherical agglomerates with sizes reaching 500 nm in some cases as the SEM images show. The chemical states of the metallic species in the samples were revealed by XPS to be Cu2+, Co2+ and Fe3+. These results combined with XRD confirmed the mixed spinel structure, Co1-xCuxFe2O4 in which Cu2+ ions substitute Co2+ ions in tetrahedral sites for x lower than 0.06 and in octahedral sites for x between 0.06 and 0.08. Magnetic parameters such as saturation magnetization (Ms), coercivity (Hc), remanent magnetization (Mr), magnetocrystalline anisotropy constant (K) and reduced magnetization (Mr/Ms), obtained from magnetic hysteresis loops measured at room temperature, are in agreement with this mixed spinel structure and also indicate that these materials are ferromagnetic and could be good candidates for applications in biomedicine and in microwave devices. }, author = {Kamta Tedjieukeng, H.M. and Tsobnang, P.K. and Fomekong, R.L. and Etape, E.P. and Joy, P.A. and Delcorte, A. and Lambi, J.N.} } @article {44161, title = {Sucrose capped gold nanoparticles as a plasmonic chemical sensor based on non-covalent interactions: application for selective detection of vitamins B-1 and B-6 in brown and white rice food samples}, journal = {Food Chemistry}, volume = {250}, year = {2018}, month = {JUN}, pages = {14-21}, type = {Article}, abstract = {

We report simple and selective method for detection of vitamins B-1 and B-6 in brown and white rice samples using localized surface plasmon resonance (LSPR) of sucrose capped gold nanoparticles (AuNPs) as a chemical sensor colorimetrically. Here, detection is based on the color change of AuNPs from pink to blue followed by a red shift of LSPR absorption band in UV-vis region with the addition of vitamins B-1 and B-6 into the NPs solution. A good linear range was observed in the range of 25-1000 ngmL(-1) with detection limit of 8 ngmL(-1) for B-1 and 50-1000 ngmL(-1) with detection limit of 15 ngmL(-1) for vitamins B-6. The employment of AuNPs for detection of B-1 and B-6 vitamins in rice food samples showed remarkable abilities in terms of the simplicity, low cost, stability, reproducibility and sensitivity.

}, doi = {10.1016/j.foodchem.2018.01.002}, author = {Shrivas, Kamlesh and Nirmalkar, Nidhi and Thakur, Santosh Singh and Deb, Manas Kanti and Shinde, Sandip S. and Shankar, Ravi} } @article {44498, title = {Synthesis, biological evaluation, and molecular docking study of pyridine clubbed 1,3,4-oxadiazoles as potential antituberculars}, journal = {Synthetic Communications}, volume = {48}, year = {2018}, month = {JAN}, pages = {524-540}, type = {Journal Article}, abstract = {

A series of pyridine clubbed 1,3,4-oxadiazole derivatives were efficiently synthesized, characterized by standard spectral techniques and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra and Mycobacterium bovis BCG in active and dormant state using an established methods. Compounds 5a, 5m, and 5t were identified as the most active compounds against MTB. Molecular docking was performed against MTB enoyl-ACP (CoA) reductase (FabI/ENR/InhA) enzyme to predict the binding modes and affinity. The theoretical predictions from molecular docking could establish a link between the observed biological activity and the binding affinity shedding light into specific bonded and non-bonded interactions influencing the activity. The active compounds were studied for cytotoxicity against three cell lines and were found to be non-cytotoxic. Specificity of these compounds was checked by screening them for their antibacterial activity against four bacterial strains.

}, keywords = {antibacterial activity, antituberculosis activity, cytotoxicity activity}, issn = {397911}, doi = {10.1080/00397911.2017.1410892}, author = {Desai, N. C.}, editor = {Trivedi, Amit} } @article {44192, title = {Synthesis of furo[2,3-b]pyran-2-ones through Ag(I)- or Ag(I)-Au(I)-catalyzed cascade annulation of alkynols and alpha-ketoesters}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {FEB }, pages = {872-875}, type = {Article}, abstract = {

Ag(I)- or Ag(I)-Au(I)-catalyzed cascade annulation of alkynols (5-hexyn-1-ol systems) with a-ketoesters involving a dual activation process (pi and sigma) has been developed for the first time. This reaction proceeds through cycloisomerization of alkynol to give the 6-endo-enol ether followed by annulation with an alpha-ketoester to furnish furo[2,3-b]pyran-2-ones in good yields. Chemical structures of all products were rigorously confirmed by single crystal X-ray analysis and analogy.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.7b04027}, author = {Thorat, Sagar S. and Kataria, Priyanka and Kontham, Ravindar} } @article {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 {45379, title = { Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals}, journal = {IUCrJ}, volume = {5}, year = {2018}, month = {NOV}, pages = {816-822}, type = {Article}, abstract = {The single-crystal X-ray structure of a 6-component organic-salt alloy (hexanary) of naftopidil (1) (an active pharmaceutical ingredient) with benzoic acid (2) and four different hydroxy-substituted benzoic acids, i.e. salicylic acid (3), 2,3-dihydroxybenzoic acid (4), 2,4-dihydroxybenzoic acid (5) and 2,6-dihydroxybenzoic acid (6), is reported. The hexanary assembly originates from the observation that the binary salts of naftopidil with the above acids are isostructural. In addition to the 6-component solid, we also describe five 5-component, ten 4-component, and ten 3-component organic-salt alloys of naftopidil (1) with carboxylic acids (2)-(6). These alloys were obtained from different combinations of the acids with the drug. The synthetic design of the multicomponent organic alloys is based on the rationale of geometrical factors (shape and size) and chemical interactions (hydrogen bonds). The common supramolecular synthon in all these crystal structures was the cyclic N+ - H center dot center dot center dot O- and O-H center dot center dot center dot O hydrogen-bonded motif of R-2(2) (9) graph set between the 2-hydroxyammonium group of naftopidil and the carboxylate anion. This ionic synthon is strong and robust, directing the isostructural assembly of naftopidil with up to five different carboxylic acids in the crystal structure together with the lower-level multicomponent adducts. Solution crystallization by slow evaporation provided the multicomponent organic salts and alloys which were characterized by a combination of single-crystal X-ray diffraction, powder X-ray diffraction, NMR and differential scanning calorimetry techniques.}, issn = { 2052-2525}, doi = { 10.1107/S2052252518014057}, author = {Dandela, Rambabu and Tothadi, Srinu and Marelli, Udaya Kiran and Nangia, Ashwini} } @article {44494, title = {Targeted phenotypic screening in plasmodium falciparum and toxoplasma gondii reveals novel modes of action of medicines for malaria venture malaria box molecules}, journal = {mSphere}, volume = {3}, year = {2018}, month = {JAN}, pages = { e00534-17}, type = {Journal Article}, abstract = {The Malaria Box collection includes 400 chemically diverse small molecules with documented potency against malaria parasite growth, but the underlying modes of action are largely unknown. Using complementary phenotypic screens against Plasmodium falciparum and Toxoplasma gondii, we report phenotype-specific hits based on inhibition of overall parasite growth, apicoplast segregation, and egress or host invasion, providing hitherto unavailable insights into the possible mechanisms affected. First, the Malaria Box library was screened against tachyzoite stage T. gondii and the half-maximal effective concentrations (EC50s) of molecules showing >=80\% growth inhibition at 10 {\textmu}M were determined. Comparison of the EC50s for T. gondii and P. falciparum identified a subset of 24 molecules with nanomolar potency against both parasites. Thirty molecules that failed to induce acute growth inhibition in T. gondii tachyzoites in a 2-day assay caused delayed parasite death upon extended exposure, with at least three molecules interfering with apicoplast segregation during daughter cell formation. Using flow cytometry and microscopy-based examinations, we prioritized 26 molecules with the potential to inhibit host cell egress/invasion during asexual developmental stages of P. falciparum. None of the inhibitors affected digestive vacuole integrity, ruling out a mechanism mediated by broadly specific protease inhibitor activity. Interestingly, five of the plasmodial egress inhibitors inhibited ionophore-induced egress of T. gondii tachyzoites. These findings highlight the advantage of comparative and targeted phenotypic screens in related species as a means to identify lead molecules with a conserved mode of action. Further work on target identification and mechanism analysis will facilitate the development of antiparasitic compounds with cross-species efficacy.}, issn = {23795042}, doi = {10.1128/mSphere.00534-17}, author = {Subramanian, Gowtham}, editor = {Belekar, Meenakshi A.} } @article {44165, title = {Tetranuclear cubane Cu4O4 complexes as prospective anticancer agents: Design, synthesis, structural elucidation, magnetism, computational and cytotoxicity studies}, journal = {Inorganic Chimica Acta}, volume = {473}, year = {2018}, month = {MAR}, pages = {121-132}, abstract = {Two new homometallic Cu4O4 cubane clusters 1 and 2 have been synthesized by self-assembly of copper (II) acetate and ligand, 2-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-2-hydroxymethyl-propane-1, 3-diol (H4L) and characterized thoroughly by various spectroscopic techniques and single crystal X-ray diffraction analysis. Temperature- dependent magnetic susceptibility measurements have been performed to elucidate the antiferromagnetic and ferromagnetic nature in Cu4O4 clusters 1 and 2, respectively. In vitro DNA binding studies of cubane clusters were carried out by employing optical spectroscopic techniques. Gel electrophoretic mobility assay performed to examine the nuclease activity of the complexes 1 and 2 with pBR322 DNA, and results revealed oxidative DNA cleavage via reactive oxygen species (ROS) species viz., O-2(.-), O-1(2), etc. In vitro cell proliferation via MTT assay was studied to calculate the cytotoxicity of complexes 1 and 2. The IC50 evaluated were similar to 20 mu M in MCF-7 (Breast) and similar to 30-35 mu M in HepG2 (Liver) cancer cell lines. Additionally, in the presence of 1 and 2, ROS and TBARS (Thiobarbituric acid reactive substance) levels amplified significantly, coupled with GSH (glutathione) levels in cancer lines. Hence, the results exhibited the major role of ROS in apoptosis induced by 1 and 2 clusters and validate their prospective to be efficient anticancer drug entities. (C) 2018 Elsevier B.V. All rights reserved.}, keywords = {Cu4O4 cubane complexes, Cytotoxicity, DFT, DNA binding, Magnetism, Nuclease activity}, issn = {0020-1693}, doi = {10.1016/j.ica.2017.12.039}, author = {Usman, Mohammad and Arjmand, Farukh and Khan, Rais Ahmad and Alsalme, Ali and Ahmad, Musheer and Sen Bishwas, Mousumi and Tabassum, Sartaj} } @article {44480, title = {Thermo thickening behavior of MPEG-b-PCL grafted poly(acrylic acid): a molecular insight}, journal = {Polymer}, volume = {148}, year = {2018}, month = {JUL}, pages = {138-148}, type = {Journal Article}, abstract = {

We report on the synthesis and characterization of a new thermothickening polymer (PAA-g-(MPEG-b-PCL)) based on the grafting of a block copolymer of mono methoxy poly (ethylene glycol){\textendash}b-poly (caprolactone) (MPEG-b-PCL) onto poly (acrylic acid) (PAA). Rheological experiments reveal that aqueous solutions of PAA-g-(MPEG-b-PCL) exhibit interesting irreversible thermothickening behavior above a certain polymer concentration and critical temperature. Light scattering experiments show that increasing temperature induces hydrophobic associations and subsequent aggregation leading to gel formation which is irreversible. The mechanism of thermo thickening was examined at the molecular level by NMR methods which indicated unassembled and assembled environments of the MPEG-b-PCL grafts. On heating, interactions between the graft side chains are significantly enhanced and molecular mobility in the assembled microdomains is reduced. The stable well ordered microdomains that are formed on heating are retained on cooling thus, leading to irreversible gelation.

}, keywords = {Hydrophobically modified poly (acrylic acid), Light scattering, Methoxy polyethylene glycol-b-polycaprolactone (MPEG-b-PCL) copolymer, Rheology, Thermo gelation}, issn = {323861}, doi = {10.1016/j.polymer.2018.06.031}, author = {Tiwari, Neha}, editor = {Shedge, Aarti} } @article {44592, title = {Ti-doped Pd-Au catalysts for one-pot hydrogenation and ring opening of furfural}, journal = {Catalysts}, volume = {8}, year = {2018}, month = {JUN}, pages = {252}, abstract = {

Pd-Au bimetallic catalysts with different Pd/Au atomic ratios, supported on ordered structured silica (Hexagonal mesoporous silica-HMS, or Santa Barbara Amorphous-15-SBA-15) were evaluated for one-pot hydrogenation of furfural to 1,2-pentanediol. The surface and structural properties of the catalysts were deeply investigated by X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), N-2 adsorption isotherms (BET), Infrared spectroscopy (IR), and acid capacity measurements. XPS studies revealed that Ti doped supports had higher dispersion of the active phase, particularly in the case of Pd-Au materials in which Ti played an important role in stabilizing the metallic species. Among the various process conditions studied, such as temperature (160 degrees C), catalyst amount (10\% w/w), and reaction time (5 h), H-2 pressure (500 psi) was found to improve the 1,2-pentanediol selectivity. The SBA silica bimetallic Ti-doped system showed the best performance in terms of stability and reusability, after multiple cycles. Under specific reaction conditions, the synergism between Pd-Au alloy and Ti doping of the support allowed the ring opening pathway towards the formation of 1,2-pentanediol in furfural hydrogenation.

}, keywords = {Bimetallic catalyst, furfural, Hydrogenation, ring-opening}, issn = {2073-4344}, doi = {10.3390/catal8060252}, author = {Date, Nandan Shreehari and La Parola, Valeria and Rode, Chandrashekhar Vasant and Testa, Maria Luisa} } @article {45420, title = { Tracing the biosynthetic origin of limonoids and their functional groups through stable isotope labeling and inhibition in neem tree (Azadirachta indica) cell suspension}, journal = {BMC Plant Biology}, volume = {18}, year = {2018}, month = {OCT}, type = {Article}, abstract = {Background Neem tree serves as a cornucopia for triterpenoids called limonoids that are of profound interest to humans due to their diverse biological activities. However, the biosynthetic pathway that plant employs for the production of limonoids remains unexplored for this wonder tree. Results Herein, we report the tracing of limonoid biosynthetic pathway through feeding experiments using C-13 isotopologues of glucose in neem cell suspension. Growth and development specific limonoid spectrum of neem seedling and time dependent limonoid biosynthetic characteristics of cell lines were established. Further to understand the role of mevalonic acid (MVA) and methylerythritol phosphate (MEP) pathways in limonoid biosynthesis, Ultra Performance Liquid Chromatography (UPLC)- tandem mass spectrometry based structure-fragment relationship developed for limonoids and their isotopologues have been utilized. Analyses of labeled limonoid extract lead to the identification of signature isoprenoid units involved in azadirachtin and other limonoid biosynthesis, which are found to be formed through mevalonate pathway. This was further confirmed by treatment of cell suspension with mevinolin, a specific inhibitor for MVA pathway, which resulted in drastic decrease in limonoid levels whereas their biosynthesis was unaffected with fosmidomycin mediated plastidial methylerythritol 4-phosphate (MEP) pathway inhibition. This was also conspicuous, as the expression level of genes encoding for the rate-limiting enzyme of MVA pathway, 3-hydroxy-3-methyl-glutaryl-coenzyme A reductase (HMGR) was comparatively higher to that of deoxyxylulose-phosphate synthase (DXS) of MEP pathway in different tissues and also in the in vitro grown cells. Thus, this study will give a comprehensive understanding of limonoid biosynthetic pathway with differential contribution of MVA and MEP pathways. Conclusions Limonoid biosynthesis of neem tree and cell lines have been unraveled through comparative quantification of limonoids with that of neem tree and through C-13 limonoid isotopologues analysis. The undifferentiated cell lines of neem suspension produced a spectrum of C-seco limonoids, similar to parental tissue, kernel. Azadirachtin, a C-seco limonoid is produced in young tender leaves of plant whereas in the hard mature leaves of tree, ring intact limonoid nimocinol accumulates in high level. Furthermore, mevalonate pathway exclusively contributes for isoprene units of limonoids as evidenced through stable isotope labeling and no complementation of MEP pathway was observed with mevalonate pathway dysfunction, using chemical inhibitors.}, isbn = {1471-2229}, doi = {10.1186/s12870-018-1447-6}, author = {Aarthy, Thiagarayaselvam and Mulani, Fayaj A. and Pandreka, Avinash and Kumar, Ashish and Nandikol, Sharvani S. and Haldar, Saikat and Thulasiram, Hirekodathakallu V.} } @article {44183, title = {Tracking HOCl concentrations across cellular organelles in real time using a super resolution microscopy probe}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {FEB}, pages = {1849-1852}, type = {Article}, abstract = {

BODIPY derivative, SF-1, exclusively shows a fluorescence ON response to HOCl and images endogenously generated HOCl in RAW 264.7 macrophages. Widefield and super resolution structured illumination microscopy images confirm localization in the Golgi complex and lysosomes, and hence specifically detects HOCl generated in these organelles. SF-1 is compatible with 3D-SIM imaging of individual cells.

}, issn = {1359-7345}, doi = {10.1039/c7cc09433g}, author = {Ali, Firoj and Aute, Sunil and Sreedharan, Sreejesh and Anila, H. A. and Saeed, Hiwa K. and Smythe, Carl G. and Thomas, Jim A. and Das, Amitava} } @article {44468, title = {Transition metal free regio-selective C{\textendash}H hydroxylation of chromanones towards the synthesis of hydroxyl-chromanones using PhI(OAc)2 as the oxidant}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {FEB}, pages = {2252-2255}, type = {Journal Article}, abstract = {

The chromanone scaffold is considered as a privileged structure in drug discovery. Herein, we report a highly efficient PhI(OAc)2 mediated regioselective, direct C{\textendash}H hydroxylation of chromanones. This method offers easy access to substituted 6-hydroxy chromanones in moderate to good isolated yields, thus paving the way for their pharmaceutical studies.

}, issn = {13597345}, doi = {10.1039/C7CC08588E}, author = {Viswanadh, N.}, editor = {Ghotekar, Ganesh S.} } @article {45467, title = {Tuning controlled release behavior of starch granules using nanofibrillated cellulose derived from waste sugarcane bagasse}, journal = { ACS Sustainable Chemistry \& Engineering }, volume = {6}, year = {2018}, month = {JUL}, pages = { 9208-9217}, type = {Article}, abstract = {Controlled release formulations help to encapsulate agrochemicals and deliver at a sustained rate. Growing environmental challenges have increased the need for controlled release systems based on sustainable feed-stocks. To this end, we report here the preparation and properties of a monolith-type controlled release granular formulation based on two ubiquitous biopolymers, starch and cellulose. Cellulose nanofibers (CNFs) derived from waste sugarcane bagasse were mixed with gelatinized maize starch and urea formaldehyde to yield nanocomposite granular formulation. Dimethyl phthalate (DMP) was used as model encapsulant. The morphology of CNFs and CNFreinforced starch granules was characterized by transmission electron microscopy, scanning electron microscopy, BET porosimetry, and X-ray tomography. Incorporation of only 2-4 wt \% CNFs led to a significant reduction in porosity as compared to that for neat starch granules, while the water uptake was enhanced by 20-30\%. Reinforcing starch with CNFs led to a significant reduction in initial release rate and yet higher overall release of DMP, thereby allowing effective utilization of entrapped chemicals. This interesting release behavior could be attributed to two competing factors, water uptake-induced diffusion and barrier effects rendered by nanocellulose network.}, issn = { 2168-0485}, doi = {10.1021/acssuschemeng.8b01545}, author = {Patil, Mayur D. and Patil, Vishal D. and Sapre, Aditya A. and Ambone, Tushar S. and Torris, Arun A. T. and Shukla, Parshuram G. and Shanmuganathan, Kadhiravan} } @article {44369, title = {Visible-light-mediated eosin Y photoredox-catalyzed vicinal thioamination of alkynes: radical cascade annulation strategy for 2-substituted-3-sulfenylindoles}, journal = {European Journal of Organic Chemistry}, year = {2018}, month = {MAY}, pages = {2117-2121}, type = {Article}, abstract = {An organic dye photoredox-catalyzed regiospecific radical cascade annulation strategy of 2-alkynyl-azidoarenes to generate 3-sulfenylindoles via vicinal thioamination of alkynes at room temperature, mediated by visible light, was developed. The method requires mild conditions, including visible light as a traceless green energy source, room temperature, eosin Y organic dye as a photoredox catalyst, ambient air as oxidant, and easily available starting materials to provide a green, efficient, metal- and strong-oxidant-free synthesis of 3-sulfenylindoles with broad substrate scope through vicinal thioamination of alkynes.}, doi = {10.1002/ejoc.201800287}, author = {Tambe, Shrikant D. and Rohokale, Rajendra S. and Kshirsagar, Umesh A.} } @article {44425, title = {Water mediated proton conductance in a hydrogen-bonded Ni(II)-bipyridine-glycoluril chloride self-assembled framework}, journal = {CrystEngComm}, volume = {20}, year = {2018}, month = {JAN}, pages = {1094-1100}, type = {Journal Article}, abstract = {

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

}, issn = {14668033}, doi = {10.1039/c7ce01814b}, author = {Tayade, Sakharam B. and Bhat, Satish S. and Illathvalappil, Rajith and Dhavale, Vishal M. and Kawade,Vitthal A. and Kumbhar, Avinash S. and Kurungot, Sreekumar and N{\"a}ther, Christian} } @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 {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 {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 {46131, title = {Alpha-Angelica lactone in a new role: facile access to N-Aryl tetrahydroisoquinolinones and isoindolinones via organocatalytic alpha-CH2 oxygenation}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {APR }, pages = {2532-2535}, type = {Article}, abstract = {

A method for the direct oxidation of various N-aryl tetrahydroisoquinolines and isoindolines to the corresponding lactams using alpha-angelica lactone as a catalyst was developed. The utility of the method was further demonstrated by synthesis of indoprofen and indobufen.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b00224}, author = {Thatikonda, Thanusha and Deepake, Siddharth K. and Das, Utpal} } @article {45477, title = {Analytical solutions of an isothermal two-dimensional model of a cathode flow channel in transport limited operational regimes of a proton exchange membrane fuel cell}, journal = {Chemical Engineering Science}, volume = {196}, year = {2019}, month = {MAR }, pages = {166-175}, type = {Article}, abstract = {

In the quest for obtaining accurate closed-form analytical expressions for polarization curve of a proton exchange membrane fuel cell (PEMFC), we have recently presented a two-dimensional model that accounts for oxygen concentration gradient and velocity gradient along the depth of a cathode flow channel. The model was developed for the case when Tafel kinetics of oxygen reduction reaction (ORR) on the cathode governs the overall rate of oxygen consumption. An improved match between predictions of the model and full three-dimensional simulations was obtained over the entire range of current density compared with earlier models which assumed homogenous oxygen concentration in the channel depth and plug flow velocity profile. In reality however, ORR kinetics is often not the rate limiting step for oxygen consumption in the cathode catalyst layer (CCL) at high current density since the Tafel kinetics is modulated by transport resistances in the CCL. In this article, we extend our two-dimensional analytical model to two different transport-limited regimes of CCL operation namely, slow oxygen transport across the CCL and slow proton transport across the CCL. We compare model predictions with results of full three-dimensional simulations in both cases and show that they are in excellent agreement even in these transport limited operational regimes of PEMFC. (C) 2018 Elsevier Ltd. All rights reserved.

}, keywords = {Analytical modelling, Polarization curve, Proton exchange membrane fuel cells, Transport resistance}, issn = {0009-2509}, doi = {10.1016/j.ces.2018.10.048}, author = {Thosar, Aniket U. and Lele, Ashish K.} } @article {45583, title = {Aromatic polyesters containing cardo perhydrocumyl cyclohexylidene groups: synthesis, characterization and gas permeation study}, journal = {Journal of Macromolecular Science, Part A: Pure and Applied Chemistry}, volume = {56}, year = {2019}, month = {FEB}, pages = {136-145}, type = {Article}, abstract = {

Three bisphenols containing cardo perhydrocumyl cyclohexylidene group, namely; 1,1-bis(4-hydroxyphenyl)-4-perhydrocumylcyclohexane, 1,1-bis(4-hydroxy-3-methylphenyl)-4-perhydrocumylcyclohexane and 1,1-bis(4-hydroxy-3,5-dimethylphenyl)-4-perhydrocumylcyclohexane were synthesized starting from p-cumyl phenol. Each of these bisphenols was polycondensed with both terephthaloyl chloride and isophthaloyl chloride by phase transfer-catalyzed interfacial polymerization to obtain a series of new aromatic polyesters. Inherent viscosities and number average molecular weights of polyesters were in the range 0.51-0.64 dL/g and 17390-41430 g/mol, respectively which indicated the formation of reasonably high molecular weight polymers. The detailed NMR studies revealed that axial and equatorial identity of the phenyl rings of bisphenols was retained in polyesters resulting in constitutional isomerism. Polyesters containing perhydrocumyl cyclohexylidene groups showed excellent solubility in organic solvents viz, chloroform, dichloromethane, 1,1,2,2-tetrachloroethane and tetrahydrofuran. The self-standing films of polyesters could be cast from their chloroform solution. The 10\% weight loss temperatures and glass transition temperatures of polyesters were in the range 453{\textendash}485 {\textdegree}C and 201{\textendash}267 {\textdegree}C, respectively demonstrating their excellent thermal characteristics. The gas permeability study of polyesters was carried out for He, H2 and N2 by variable-volume method. An improvement in permeability and decrease in selectivity was observed due to symmetric methyl substituents while reverse trend was observed in case of polyesters with asymmetric methyl substituents.

}, doi = {10.1080/10601325.2018.1549950}, author = {Shingte, R. D. and Chatterjee, D. and Tawade, B. V. and Shrimant, B. and Wadgaonkar, P.P.} } @article {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 {45602, title = {Bifunctional oxygen reduction and evolution activity in brownmillerites Ca2Fe(1- x)CoxO5}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {31{\textendash}38}, type = {Article}, abstract = {State-of-the-art catalysts for oxygen reduction and evolution reactions (ORR and OER), which form the basis of advanced fuel cell applications, are based on noble metals such as Pt and Ir. However, high cost and scarcity of noble metals have led to an increased demand of earth-abundant metal oxide catalysts, especially for bifunctional activity in ORR and OER. The fact that Pt and Ir or C, the cost-effective alternatives suggested, do not display satisfactory bifunctional activity has also helped in turning the interest to metal oxides which are stable under both ORR and OER conditions. Brownmillerite A2B2O5 type oxides are promising as bifunctional oxygen electrocatalysts because of intrinsic structural features, viz., oxygen vacancy and catalytic activity of the B-site transition metal. In this study, Co-doped Ca2Fe2O5 compounds are synthesized by the solid state method and structurally analyzed by Rietveld refinement of powder X-ray diffraction data. The compound Ca2Fe2O5, crystallizing in the Pcmn space group has alternative FeO4 tetrahedral and FeO6 octahedral layers. Its Co-doped analogue, Ca2Fe1.75Co0.25O5, also crystallizes in the same space group with both tetrahedral and octahedral Fe positions substituted with Co. However, Ca2FeCoO5 in the Pbcm space group shows interlayer ordering with Co-rich octahedra connected to Fe-rich tetrahedra and vice versa. Oxygen bifunctional activities of these catalysts are monitored by rotating disc electrode and rotating ring disc electrode techniques in alkaline media. A close analysis of the ORR and OER was conducted through comparison of various parameters such as onset potential, current density, halfwave potential, and other kinetic parameters, which suggests that the presence of Co in the B site aids in achieving better bifunctional activity and bulk conductivity. In addition, Co(II)/Co(III) redox systems and their comparative concentrations also play a decisive role in enhancing the activity.}, doi = {10.1021/acsomega.8b02468}, author = {Thundiyil, S. and Kurungot, S. and Devi, R. N.} } @article {46084, title = {Characterizing microvoids in regenerated cellulose fibers obtained from viscose and lyocell processes}, journal = {Macromolecules}, volume = {52}, year = {2019}, month = {JUN}, pages = {3987-3994}, type = {Article}, abstract = {

Regenerated cellulose fibers are among the most widely used bio-derived materials. Currently, there is great interest in transitioning from the traditional viscose process to the more environmentally friendly lyocell process for fiber production. Differences between the characteristics of viscose and lyocell fibers can be attributed to microstructural differences that arise due to differences in the processing techniques. Here, we use small-angle scattering to characterize the microvoids in regenerated cellulose fibers that might govern the onset of mechanical failure in these. In regenerated cellulose fibers, scattering of X-rays or neutrons at small angles is largely dominated by scattering from microvoids. We demonstrate that small angle X-ray scattering (SAXS) over the q range that is typical for most commercial instruments arises from Porod scattering from the microvoid surfaces, viz., the scattered intensity scales as q(-4). Therefore, it is not possible to extrapolate this data to lower q to obtain microvoid dimensions and volume fraction. We combine SAXS with medium-resolution small-angle neutron scattering to characterize the microvoids in regenerated cellulose fibers. Specifically, we compare fibers produced using the viscose process with those from the lyocell process. For both viscose and lyocell fibers, microvoids have a high aspect ratio and are elongated in the fiber direction. Also, the volume fraction occupied by the microvoids is comparable for viscose and lyocell fibers (0.04-0.05\%). However, there are differences in the microvoid size: Microvoids are more highly oriented in lyocell fibers and have a larger average length and diameter compared with viscose fibers. This result might have important implications for understanding failure of these fibers.

}, issn = {0024-9297}, doi = {10.1021/acs.macromol.9b00487}, author = {Sharma, Aakash and Sen, Debasis and Thakre, Shirish and Kumaraswamy, Guruswamy} } @article {46154, title = {Click chemistry based multicomponent approach in the synthesis of spirochromenocarbazole tethered 1,2,3-triazoles as potential anticancer agents}, journal = {Bioorganic Chemistry}, volume = {85}, year = {2019}, month = {APR}, pages = {475-486}, type = {Article}, abstract = {

A series of spirochromenocarbazole tethered 1,2,3-triazoles were synthesized via click chemistry based one-pot, five component reaction between N-propargyl isatins, malononitrile, 4-hydroxycarbazole, aralkyl halides and sodium azide using cellulose supported CuI nanoparticles (Cell-CuI NPs) as the heterogeneous catalyst. Antiproliferative activity of all the synthesized compounds was investigated against panel of cancer cell lines such as MCF-7, MDA-MB-231, HeLa, PANG-1, A-549, and THP-1. Many of the synthesized compounds exhibited good anti-proliferative activity against breast (MCF-7 and MDA-MB-231) and cervical (HeLa) cancer cells with IC50 values less than 10 mu M. In case of MCF-7 cells, among the nine compounds that showed good anti-proliferative activity, compounds 6f and 6j were found to be highly potent (IC50 , = 2.13 mu M and 4.80 mu M, respectively). In case of MDA-MB-231, three compounds (6k, 6j and 6s) showed antiproliferative activity amongst which 6k was the most potent one (IC50 = 3.78 mu M). On the other hand, in cervical cancer HeLa cells, compounds 6b, 6g, 6s and 6u showed excellent antiproliferative activity (IC50 = 4.05, 3.54, 3.83, 3.35 mu M, respectively). All the compounds were found to be nontoxic to the human umbilical vein endothelial cells (HUVECs). AO and EtBr staining and fluorescence microscopy studies of the active compounds (IC50 \< 5 mu M) suggested that these compounds induce cell death by apoptosis.

}, keywords = {1, 2, 3-Triazolylspirochromenocarbazole, Anticancer, Apoptotic assay, Click chemistry, Cytotoxicity, heterogeneous catalysis, Multicomponent synthesis}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2019.01.070}, author = {Chavan, V, Pramod and Desai, V, Uday and Wadgaonkar, Prakash P. and Tapase, Savita R. and Kodam, Kisan M. and Choudhari, Amit and Sarkar, Dhiman} } @article {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 {46208, title = {A copper(ii)-coordination polymer based on a sulfonic-carboxylic ligand exhibits high water-facilitated proton conductivity}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {AUG}, pages = {11034-11044}, type = {Article}, abstract = {

Proton conduction ability has been investigated in a new Cu(ii) based coordination polymer (CP), {[Cu-2(sba)(2)(bpg)(2)(H2O)(3)]center dot 5H(2)O}(n) (1), synthesized using the combination of 4-sulfobenzoic acid (4-Hsba) and bipyridine-glycoluril (BPG) ligands. Single crystal X-ray structure determination revealed that 1 features 1D porous channels encapsulating a continuous array of water molecules. Proton conductivity measurements reveal a high conductivity value of 0.94 x 10(-2) S cm(-1) at 80 degrees C and 95\% RH. The activation energy (E-a) of 0.64 eV demonstrates that the solvate water, coordinated water and hydrophilic groups in the channels promote the mobility of protons in the framework. Water sorption measurements exhibited hysterical behaviour with a high uptake value of 379.07 cm(3) g(-1). Time-dependent measurements revealed that the proton conductivity is retained even after 12 h of measurements. The proton conduction mechanism was validated by ab initio electronic structure calculations using the Nudged Elastic Band (NEB) method with molecular dynamics (MD) simulation studies. The theoretical activation energy is calculated to be 0.54 eV which is in accordance with the experimental value.

}, doi = {10.1039/c9dt01983a}, author = {Tayade, Sakharam B. and Illathvalappil, Rajith and Lapalikar, Vaidehi and Markad, Datta and Kurungot, Sreekumar and Pujari, Bhatchandra and Kumbhar, Avinash S.} } @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 {45609, title = {C-F bond activation by saturated NHC: mesoionic compound formation and its unprecedented adduct with B(C6F5)3}, journal = {Angewandte Chemie - International Edition}, volume = {58}, year = {2019}, month = {FEB}, pages = {2804-2808}, type = {Article}, abstract = {

The reaction of SIPr, [1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] (1), with C6F6 led to the formation of an unprecedented mesoionic compound (2). The formation of 2 is made accessible by deprotonation of the SIPr backbone with simultaneous elimination of HF. The C-F bond para to the imidazolium ring in 2 is only of 1.258(4) {\r A}, which is the one of the shortest structurally authenticated C-F bonds known to date. The liberation of HF during the reaction is unequivocally proved by the addition of one more equivalent of SIPr, which leads to the imidazolium salt with the HF2- anion. To functionalize 2, the latter reacted with B(C6F5)3 to give an unusual donor{\textendash}acceptor compound, where the fluoride atom from the C6F5 moiety coordinates to B(C6F5)3 and the carbanion moiety remains unaffected. Such coordination susceptibility of the fluoride atom of a nonmetallic system to a main-group Lewis acid (Fnon-metal{\textrightarrow}BR3) is quite unprecedented.

}, keywords = {C-F activation, carbanions, N-heterocyclic carbenes, structure elucidation, Ylides}, issn = {1433-7851}, doi = {10.1002/anie.201814616}, author = {Pait, M. and Kundu, G. and Tothadi, S. and Karak, S. and Jain, S. and Vanka, K. and Sen, S. S.} } @article {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 {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} } @inbook {47468, title = {Distribution and bioprospecting potential of actinobacteria from Indian mangrove ecosystems}, booktitle = {Microbial Diversity in Ecosystem Sustainability and Biotechnological Applications}, year = {2019}, pages = {319-353}, publisher = {Springer, Singapore}, organization = {Springer, Singapore}, abstract = {Actinobacteria are the ecologically and economically important prokaryotes with the unprecedented ability to produce novel metabolites. They are widely distributed in nature due to their physiological and metabolic versatility. Actinobacteria from marine ecosystem are recognized as a promising source for novel bioactive metabolites. Notably, mangroves are the most fertile and productive marine ecosystem due to their ecophysiological conditions and vast microbial diversity. At the global level, there are many novel actinobacteria which have been reported from mangrove ecosystems and also explored for their bioprospecting potential. However, in India, microbiologists have explored actinobacteria from selected mangrove ecosystems for the past five decades with special reference to culturable diversity and antimicrobial, antimycobacterial, anticancer, and enzymatic activities. So far, around 22 rare actinobacterial genera have been reported from the Indian mangrove ecosystems. However, several other novel actinobacteria with promising bioprospecting potential are yet to be explored. Hence, research on actinobacteria in the Indian mangrove ecosystem is still in its infancy. This chapter will describe the exploratory research work carried out on the importance, diversity, antimicrobial and enzymatic activity, biodegradation, and nanotechnological potency of actinobacteria from the Indian mangrove ecosystems. This chapter will enable researchers to identify the gaps to be bridged for further research on Indian mangrove actinobacteria and exploit their potential to the maximum benefit to mankind.}, isbn = {978-981-13-8315-1}, doi = {10.1007/978-981-13-8315-1_11}, author = {Manikkam, Radhakrishnan and Pati, Premalata and Thangavel, Shanmugasundaram and Venugopal, Gopikrishnan and Joseph, Jerrine and Ramasamy, Balagurunathan and Dastager, Syed G.} } @article {46129, title = {Does stoichiometry matter? cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd-even alternation in melting points}, journal = {Crystengcomm}, volume = {21}, year = {2019}, month = {APR }, pages = {2481-2484}, type = {Article}, abstract = {

{This study outlines the synthesis of four cocrystals of aliphatic dicarboxylic acids {pimelic acid to sebacic acid (HOOC-(CH2) nCOOH

}, issn = {1466-8033}, doi = {10.1039/c9ce00299e}, author = {Tothadi, Srinu and Phadkule, Amala} } @article {47496, title = {Efficient and cost effective synthesis of acetamides catalyzed by calcium chloride}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {58}, year = {2019}, month = {OCT}, pages = {1125-1130}, type = {Article}, abstract = {CaCl2 has been found to be an efficient and cost effective catalyst for the rapid synthesis of acetamides in high yields. The use of stoichiometric quantities of acetic anhydride under solvent free conditions without any additional chromatographic purifications makes this protocol a safe alternative to the existing methods.}, keywords = {Acetamide, acetylation, Acylation, Amine, CaCl2}, issn = {0376-4699}, author = {Sangole, M. T. and Thorat, S. M. and Shirsath, S. and Deshmukh, S. P. and Muthukrishnan, M. and Mujahid, M.} } @article {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 {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 {46298, title = {Estrogen receptor activation in response to Azadirachtin A stimulates osteoblast differentiation and bone formation in mice}, journal = {Journal of Cellular Physiology}, volume = {234}, year = {2019}, month = {DEC}, pages = {23719-23735}, type = {Article}, abstract = {

The positive effectsof the sex hormone in sustaining bone homeostasis areexercised by maintaining the equilibrium betweencell activity and apoptosis. In this regard, the importance of estrogen receptors in maintaining the bone is that it is anattractive drug target,if devoid of known side effects. In this study, we show that a natural pure compound Azadirachtin A (Aza A) isolated from Azadirachta indica binds selectively to a site in the estrogen receptor, identifying itself to bea selective tissue modifier. Using computational and medicinal chemistry, we show that Aza A binds potentially and selectively to estrogen receptor-alpha (ER alpha) as compared with ER beta. This preferential binding of Aza A to ER alpha with good pharmacokinetic distribution in the body forms metabolites, showing that it is well absorbed. In in vivo estrogen deficiency models for osteoporosis, Aza A at a much lower dose enhances new bone formation at both sites of the trabecular and cortical bone with increased bone strength and presentswith no hyperplastic effect in the uterus.

}, keywords = {ALP, Gene expression, micro-CT, mineralization, osteoblast cells}, issn = {0021-9541}, doi = {10.1002/jcp.28940}, author = {Kushwaha, Priyanka and Ahmad, Naseer and Dhar, V. Yogeshwar and Verma, Ashwni and Haldar, Saikat and Mulani, Fayaj A. and Trivedi, Prabodh K. and Mishra, Prabhat R. and Thulasiram, V. Hirekodathakallu and Trivedi, Ritu} } @article {46152, title = {Experimental investigation of isothermal vapor-liquid equilibrium and estimation of excess thermodynamic properties (h(E)) of CHO2K-H2O from 278.15 to 423.15 K}, journal = {Journal of Chemical and Engineering Data}, volume = {64}, year = {2019}, month = {APR}, pages = {1488-1500}, type = {Article}, abstract = {

In this paper, vapor liquid equilibrium (VLE) of a binary mixture, potassium formate-water (CHO2K-H2O), was measured experimentally using a dynamic moving type VLE setup in the temperature range of 313.15 to 393.15 K. Overall, large vapor pressure data points generated for the mole fraction of CHO2K from 0.023 to 0.461 and the solution temperature up to 423.15 K were used to correlate the local composition-based activity coefficient model (NRTL model). The data obtained via the thermodynamic model fitting shows good agreement with the experimental VLE data with overall average relative deviation of 2.15\% and root-mean-square deviation of 0.25\%. The obtained results further indicate that the binary mixture exhibits a negative deviation from the Raoult{\textquoteright}s law, which is an important characteristic of the working fluid used for a heat-activated vapor absorption system (VAS). Therefore, the CHO2K-H2O mixture can be considered as an alternative working pair that will overcome the limitations allied to the crystallization and corrosion of the commercial working fluids mainly lithium bromide-water (LiBr-H2O). The fitted nonrandom two-liquid model was further utilized to determine the excess thermodynamic properties, solution enthalpy, solution entropy, and equilibrium P-T-x (Duhring) plot.

}, issn = {0021-9568}, doi = {10.1021/acs.jced.8b01078}, author = {Takalkar, Gorakshnath D. and Bhosale, Rahul R. and Mali, Nilesh A. and Bhagwat, Sunil S.} } @article {46282, title = {Gold-catalyzed cycloisomerization of pyridine-bridged 1,8-Diynes: An expedient access to luminescent cycl[3.2.2]azines}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {SEP}, pages = {7109-7113}, type = {Article}, abstract = {

Gold-catalyzed diyne cycloisomerizations involving carbene/alkyne metathesis have been the focal point of attention for the past few years as it offers great potential to build complex polycyclic architectures. However, the design of novel cycloisomerizations has been mostly limited to 1,5/1,6-diynes and has remained very challenging to apply for higher 1,n-diynes. Herein, we disclose an unprecedented cycloisomerization of pyridine-bridged 1,8-diynes involving carbene/alkyne metathesis to access luminescent cycl[3.2.2]azines.

}, doi = {10.1021/acs.orglett.9b02677}, author = {Chintawar, Chetan C. and Mane, Manoj V. and Tathe, Akash G. and Biswas, Suprakash 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 {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 {46101, title = {High-energy flexible supercapacitor-synergistic effects of polyhydroquinone and RuO2 center dot xH(2)O with microsized, few-layered, self-supportive exfoliated-graphite sheets}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {MAY }, pages = {18349-18360}, type = {Article}, abstract = {

An effective and straightforward route for tailoring the self-supporting, exfoliated flexible graphite substrate (E-FGS) using electrochemical anodization is proposed. E-FGS has essential features of highly exfoliated, few-layered, two-dimensional graphite sheets with the size of several tens of micrometers, interconnected along the axis of the substrate surface. The novel hierarchical porous structural morphology of E-FGS enables large active sites for efficient electrolyte ion and charge transport when used as electrode material for a supercapacitor. In order to effectively utilize this promising E-FGS electrode for energy storage purpose, a ternary composite is further synthesized with pseudocapacitive polyhydroquinone (PHQ) and hydrous RuO2 (hRO). hRO is synthesized via a sol-gel route, while electropolymerization is utilized for the electrodeposition of PHQ over E-FGS. Ultimately, the fabricated self-supporting E-FGS-based flexible supercapacitor is capable of delivering areal specific capacitance values as high as 378 mF cm(-2) at a current density of 1 mA cm(-2). Addition of the pseudocapacitive component to the E-FGS texture leads to similar to 10 times increase of the electrochemical charge storage capability. The imposition of mechanical forces to this flexible supercapacitor device results in trivial changes in electrochemical properties and is still capable of retaining 91\% of the initial specific capacitance after 10 000 cycles. Alongside, the fabricated symmetrical solid-state flexible device exhibited a high energy density of 8.4 mu Wh cm(-2). The excellent performance along with the ease of synthesis and fabrication process of the flexible solid-state supercapacitor device using PHQ/hRO/E-FGS holds promise for large-scale production.

}, keywords = {graphite exfoliation, polyhydroquinone, ruthenium oxide, solid-state flexible supercapacitor, Ternary Composite}, issn = {1944-8244}, doi = {10.1021/acsami.9b01712}, author = {Muniraj, Vedi Kuyil Azhagan and Dwivedi, Pravin Kumari and Tamhane, Parikshit Shivaji and Szunerits, Sabine and Boukherroub, Rabah and Shelke, Manjusha Vilas} } @article {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 {46019, title = {Inducing disorder in order: hierarchically porous covalent organic framework nanostructures for rapid removal of persistent organic pollutants}, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {MAY }, pages = {7572-7581}, type = {Article}, abstract = {

The key factor responsible for fast diffusion and mass transfer through a porous material is the availability of a widely open pore interior having complete accessibility from their surface. However, because of their highly stacked nature, ordered two-dimensional (2D) materials fail to find real-world applicability, as it is difficult to take advantage of their complete structure, especially the inner cores. In this regard, three-dimensional (3D) nanostructures constructed from layered two-dimensional crystallites could prove to be advantageous. However, the real challenge is to cultivate a porous nanostructure with ordered pores where the pores are surrounded by crystalline walls. Herein, a simple yet versatile in situ gas-phase foaming technique has been employed to address these cardinal issues. The use of baking soda leads to the continuous effervescence of CO2 during the crystallization of foam, which creates ripples and fluctuations on the surface of the 2D crystallites. The induction of ordered micropores within the disordered 3D architecture synergistically renders fast diffusion of various guests through the interconnected pore network. The high-density defects in the hierarchically porous structure help in ultrafast adsorption (\<10 s) of various pollutants (removal efficiency of 99\%) from water, all of which would lead to significant environmental benefit. The pseudo-second-order rate constant for the BPA pollutant is 182.3 g mg(-1) min(-1), which is the highest among all the literature reports to date. The high removal efficiency (highest efficiency of 94\% and average efficiency of 70\%) of a persistent organic pollutant has been attended for the first time.

}, issn = {0002-7863}, doi = {10.1021/jacs.9b02706}, author = {Karak, Suvendu and Dey, Kaushik and Torris, Arun and Halder, Arjun and Bera, Saibal and Kanheerampockil, Fayis and Banerjee, Rahul} } @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 {46214, title = {Ionic liquid-responsive phase transfer of gold nanoparticles: anionic metathesis}, journal = {Langmuir}, volume = {35}, year = {2019}, month = {JULY}, pages = {9213-9218}, type = {Article}, abstract = {

In this work, a fresh approach has been proposed for the efficient transfer of gold nanoparticles (AuNPs) from an aqueous to organic phase by the metathesis reaction or anion exchange reaction. Here, we synthesized ionic liquid 1-butyl 3-hexadecyl imidazolium bromide [C(4)C1(6I)m]-Br-stabilized AuNPs which exhibit excellent stability in solution. Transfer of Au@[C(4)C(16)Im]Br from an aqueous to organic phase was investigated by the metathesis reaction with different hydrophobic ionic liquid-forming salts such as LiNTf2, LiClO4, and KPF6. The anionic exchange process in ionic liquids at the AuNP surface to make hydrophilic to hydrophobic AuNPs is demonstrated. It was found that hydrophobic ionic liquids provide the most effective transfer of AuNPs from the aqueous to organic phase. Interestingly, we have noticed no change in color, size, and shape of AuNPs for more than a month, indicating more efficient transfer of AuNPs in organic solvents, which remained stable for over a month. The ionic liquids with anions NTf2-, ClO4-, and PF6- make the AuNP surface hydrophobic, indicating their good dispersibility in nonpolar solvents. Finally, these AuNPs exhibit excellent sensitivity toward the refractive index of organic solvents, which is correlated with the surface plasmon resonance (SPR) lambda(SPR) bands.

}, doi = {10.1021/acs.langmuir.9b01223}, author = {Thawarkar, Sachin and Nirmale, Trupti C and More, Sahebrao and Ambekar, Jalindar D and Kale, Bharat B and Khupse, Nageshwar D} } @article {46006, title = {Mapping fusogenicity of ciprofloxacin-loaded liposomes with bacterial cells}, journal = {AAPS Pharmscitech}, volume = {20}, year = {2019}, month = {JUL}, pages = {180}, type = {Article}, abstract = {

The process of liposome fusion with cellular membrane plays key role in delivering encapsulated drug molecule into the cell. This process becomes very important for molecules having low permeability as they fail to reach the site of action located inside the cell. Ciprofloxacin (CIP), a broad-spectrum BCS class IV antibiotic, has poor permeability. In the present work, CIP-loaded liposomes were prepared using solvent evaporation method and optimized by 3(2) factorial design approach. The optimized batch of CIP-loaded liposomes was characterized for size, entrapment efficiency, zeta potential, FTIR, and microbial susceptibility study on Staphylococcus aureus (gram-positive bacteria) and Escherichia coli (gram-negative bacteria). Confocal microscopy was used to study the fusogenicity process of CIP-loaded liposomes with bacterial cells. Additionally, the kinetics of fusogenicity process was studied using SAXS for the first time. Surprisingly, the rate of fusion of CIP-loaded liposomes with cell wall of S. aureus was twice when compared to the cell wall of E. coli. It is believed that the current work can act as a roadmap in selection of proper excipients while developing formulations which would expedite the fusogenicity and may execute pharmacological activity of poorly penetrable drug molecules at lower dose.

}, keywords = {ciprofloxacin, confocal microscopy, fusion, liposomes, SAXS}, issn = {1530-9932}, doi = {10.1208/s12249-019-1381-4}, author = {Patil, Runali and Torris, Arun and Bhat, Suresh and Patil, Sharvil} } @article {46120, title = {Microbacterium enclense sp. nov., isolated from sediment sample (vol 65, pg 2064, 2015)}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {69}, year = {2019}, month = {MAY}, pages = {1528}, type = {Correction}, issn = {1466-5026}, doi = {10.1099/ijsem.0.003331}, author = {Mawlankar, Rahul R. and Mual, Poonam and Sonalkar, Vidya V. and Thorat, Meghana N. and Verma, Ashish and Srinivasan, Krishnamurthi and Dastager, Syed G.} } @article {47152, title = {Morphology of ammonium perchlorate in the presence of ethylene glycol as an additive: a first principle study}, journal = {Crystengcomm}, volume = {21}, year = {2019}, month = {DEC}, pages = {7519-7527}, type = {Article}, abstract = {

Ammonium perchlorate (AP) is an extensively used crystalline oxidizer in high energy materials and their compositions. A desired morphology of AP is crucial for the high burn rates of solid propellants. We have examined the habit modification of AP crystals in the absence and presence of ethylene glycol as an impurity by means of important parameters such as interaction and surface energies to predict the resultant morphology. On the basis of first principles density functional theory (DFT) calculations of the binding and surface energies before and after the adsorption of the surface-capping agent (ethylene glycol) on the AP surfaces, we have shown that the relative stability of all the important surfaces (100), (101), (011), (001) and (210) rationalize the habit modification of AP crystals. In accordance with the surface energy calculations, the stability order of the five crystallographic surfaces of AP was found to be (001) \> (210) \> (101) \> (100) \> (011) in the absence of additive molecules, i.e., in the clean surfaces. This result is in concurrence with the fact that AP crystals richly contain (001) planes when grown in the absence of an additive. The computational methodology applied for the determination of surface energies was found to be reliable as it has well reproduced the stability trend of AP surfaces. However, the trend, (210) \> (001) \> (101) \> (011) \> (100), was observed when these surfaces were capped with a known additive molecule, i.e., ethylene glycol. The crystal habit of AP in the presence of ethylene glycol is such that the intensity of the lattice plane (2 1 0) of the modified AP was remarkably high leading to the shape of hexahedral, which is in excellent agreement with the experimental results. A linear fit correlation was also observed between surface energies and interaction energy values for the additive adsorbed AP surfaces.

}, issn = {1466-8033}, doi = {10.1039/c9ce01262a}, author = {Khan, Md Abdul Shafeeuulla and Vijayalakshmi, R. and Singh, Avtar and Nandi, Amiya Kumar and Talawar, M. B.} } @article {46059, title = {New cardo bisphenol monomer containing pendant azido group and the resulting aromatic polyesters}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {57}, year = {2019}, month = {JUL }, pages = {1516-1526}, type = {Article}, abstract = {

Expanding on our strategy to synthesize aromatic step-growth polymers containing pendant clickable azido groups via functional monomer approach, we have now designed and synthesized a new cardo bisphenol, viz., 2-(2-azidoethyl)-3, 3-bis(4-hydroxyphenyl) isoindolin-1-one (PPH-N-3). PPH-N-3 was conveniently synthesized starting from commercially available phenolphthalein by a three-step route in an overall yield of 65\% using simple organic transformations. Aromatic (co)polyesters bearing pendant azido groups were synthesized by low-temperature solution polycondensation of PPH-N-3 or different molar ratios of PPH-N-3 and bisphenol-A (BPA) with aromatic diacid chlorides in dry dichloromethane in the presence of triethylamine (TEA) as a base. The formation of medium to reasonably high-molecular-weight (co)polyesters was evidenced from intrinsic viscosity and number-average molecular-weight measurements that were in the range 0.52-0.85 dL/g and 16,700-28,200, respectively. Tough, transparent, and flexible films could be cast from chloroform solutions of these (co)polyesters. (Co)polyesters were characterized using FTIR, H-1 NMR, C-13 NMR spectroscopy, XRD, and TGA. The thermal curing reaction of (co)polyesters involving decomposition of azido groups was studied by DSC analysis. The chemical modification of a representative copolyester containing pendant azido groups was carried out quantitatively using catalyst-free azide-maleimide cycloaddition reaction with two maleimides, namely, N-methylmaleimide and N-hexylmaleimide. (c) 2019 Wiley Periodicals, Inc.

}, keywords = {aromatic (co)polyester, azido group, cardo bisphenol, Chemical modification}, issn = {0887-624X}, doi = {10.1002/pola.29414}, author = {Maher, Deepak M. and Nagane, Samadhan S. and Jadhav, Uday A. and Salunkhe, Pravin H. and Tawade, Bhausaheb V. and Wadgaonkar, Prakash P.} } @article {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 {46172, title = {Nuclear parity- and time-reversal-symmetry violation in the (HgH)-Hg-201 molecule}, journal = {Physical Review A}, volume = {99}, year = {2019}, month = {MAR }, pages = {032503}, type = {Article}, abstract = {

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

}, issn = {2469-9926}, doi = {10.1103/PhysRevA.99.032503}, author = {Talukdar, Kaushik and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {46216, title = { Polysaccharide hydrogel incorporated carbon nanofiber microelectrode for designing neural interfaces }, journal = {Journal of Bionic Engineering}, volume = {16}, year = {2019}, month = {JULY}, pages = {696-710}, type = {Article}, abstract = {

Bionic devices are an integral part of human life, and continuous innovations in their design and functions with the help of nanotechnology has revolutionized the area of neuroscience and technology. Bio-interfaces play a key role in bionic devices such as neural implants for efficient transfer of the signal to smart prosthetics. We report here on the design of a new microelectrode, comprising Carbon Nanofiber (CNF) and a biopolymer, namely carboxymethyl xyloglucan (CMX) hydrogel inside the CNF, which enhances the current density across the interface. Microelectrode was prepared by in-situ cross-linking of CMX inside CNF, with optimized CMX: CNF ratio, resulting in continuous ionic channels confined within the hollow core of CNF. Electron microscopy images of microelectrodes illustrate the formation of CMX hydrogel network inside the CNF hollow core without wrapping its surface. The presence of hydrogel in the CNF was confirmed by Scanning Electron Microscope (SEM) and Transmission Electron Microscopy (TEM). The electrochemical studies indicate the enhancement in charge density as well as the active surface area of the microelectrodes due to the presence of CMX hydrogel network. These microelectrodes have great potential as neural interfaces for designing smart prosthetics with voluntary control.

}, doi = {10.1007/s42235-019-0056-x}, author = {Torris, Arun and Badiger, Manohar V.} } @article {46162, title = {Porosity switching in polymorphic porous organic cages with exceptional chemical stability}, journal = {Angewandte Chemie-International Edition}, volume = {58}, year = {2019}, month = {MAR}, pages = {4243-4247}, type = {Article}, abstract = {

Porous solids that can be switched between different forms with distinct physical properties are appealing candidates for separation, catalysis, and host-guest chemistry. In this regard, porous organic cages (POCs) are of profound interest because of their solution-state accessibility. However, the application of POCs is limited by poor chemical stability. Synthesis of an exceptionally stable imine-linked (4+6) porous organic cage (TpOMe-CDA) is reported using 2,4,6-trimethoxy-1,3,5-triformyl benzene (TpOMe) as a precursor aldehyde. Introduction of the -OMe functional group to the aldehyde creates significant steric and hydrophobic characteristics in the environment around the imine bonds that protects the cage molecules from hydrolysis in the presence of acids or bases. The electronic effect of the -OMe group also plays an important role in enhancing the stability of the reported POCs. As a consequence, TpOMe-CDA reveals exceptional chemical stability in neutral, acidic and basic conditions, even in 12m NaOH. Interestingly, TpOMe-CDA exists in three different porous and non-porous polymorphic forms (, , and ) with respect to differences in crystallographic packing and the orientation of the flexible methoxy groups. All of the polymorphs retain their crystallinity even after treatment with acids and bases. All the polymorphs of TpOMe-CDA differ significantly in their properties as well as morphology and could be reversibly switched in the presence of an external stimulus.

}, keywords = {chemical stability, Morphology, organic cages, polymorphism, porosity switching}, issn = {1433-7851}, doi = {10.1002/anie.201813773}, author = {Bera, Saibal and Dey, Kaushik and Pal, Tapan K. and Halder, Arjun and Tothadi, Srinu and Karak, Suvendu and Addicoat, Matthew and Banerjee, Rahul} } @article {46020, title = {Pyridine immobilised on magnetic silica as an efficient solid base catalyst for Knoevenagel condensation of furfural with acetyl acetone}, journal = {Catalysis Communications}, volume = {124}, year = {2019}, month = {MAY }, pages = {81-85}, type = {Article}, abstract = {

Novel heterogeneous pyridine immobilised magnetic silica (Fe3O4@SiO2-Py) was found to be an efficient, greener and heterogeneous solid base catalyst for the Knoevenagel condensation of furfural with acetylacetone under optimized reaction conditions. The Knoevenagel condensation product 3-(2-furylmethylene)-2,4-pentanedione (FMP), a jet fuel precursor, was produced in high yield of 85\% with 94\% conversion of furfural at 100 degrees C within a period of 4 h. Fe3O4@SiO2-Py catalyst showed excellent stability and recyclability without losing its initial activity.

}, keywords = {furfural, Jet fuel, Knoevenagel condensation, Silica immobilised pyridine, Solid base}, issn = {1566-7367}, doi = {10.1016/j.catcom.2019.03.005}, author = {Tarade, Komal and Shinde, Suhas and Sakate, Sachin and Rode, Chandrashekhar} } @article {46202, title = { Recent advances in the synthesis of oxaspirolactones and their application in the total synthesis of related natural products }, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {AUG}, pages = {7270-7292}, type = {Review}, abstract = {

Oxaspirolactones are ubiquitous structural motifs found in natural products and synthetic molecules with a diverse biochemical and physicochemical profile, and represent a valuable target in natural product chemistry and medicinal chemistry. Since the 1970s, numerous innovative synthetic methodologies have been reported for these scaffolds in the context of expanding the range of potential building blocks, catalysts, and modes of transformations (racemic or asymmetric protocols). This review focuses on a broad spectrum of approaches toward the synthesis of oxaspirolactones and their potential application in the total synthesis of biologically relevant natural products starting from the first disclosure to the latest report.

}, doi = {10.1039/c9ob01212e}, author = {Thorat, Sagar S}, editor = {Kontham, Ravindar} } @article {46240, title = {Relativistic coupled-cluster investigation of parity (P) and time-reversal (T) symmetry violations in HgF}, journal = {Journal of Chemical Physics}, volume = {150}, year = {2019}, month = {FEB}, type = {Article}, abstract = {

We employ the Z-vector method in the four-component relativistic coupled-cluster framework to calculate the parity (P) and time-reversal (T) symmetry violating scalar-pseudoscalar nucleus-electron interaction constant (W-s), the effective electric field (E-eff) experienced by the unpaired electron, and the nuclear magnetic quadrupole moment-electron interaction constant (W-M) in the open-shell ground electronic state of HgF. The molecular frame dipole moment and the magnetic hyperfine structure (HFS) constant of the molecule are also calculated at the same level of theory. The outcome of our study is that HgF has a high value of E-eff (115.9 GV/cm), W-s (266.4 kHz), and W-M (3.59 x 10(33) Hz/e cm(2)), which shows that it can be a possible candidate for the search of new physics beyond the standard model. Our results are in good agreement with the available literature values. Furthermore, we investigate the effect of the basis set and the virtual energy functions on the computed properties. The role of the high-energy virtual spinors is found to be significant in the calculation of the HFS constant and the P,T-odd interaction coefficients. Published under license by AIP Publishing.

}, doi = {10.1063/1.5083000}, author = {Talukdar, Kaushik and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {46425, title = {Saturated N-heterocyclic carbene based thiele{\textquoteright}s hydrocarbon with a tetrafluorophenylene linker}, journal = {Chemistry-A European Journal}, year = {2019}, month = {NOV}, type = {Article; Early Access}, abstract = {

The synthesis of a SIPr [1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] derived Kekule diradicaloid with a tetrafluorophenylene spacer (3) has been described. Two synthetic routes have been reported to access 3. The cleavage of C-F bond of C6F6 by SIPr in the presence of BF3 led to double C-F activated compound with two tetrafluoro borate counter anions (2), which upon reduction by lithium metal afforded 3. Alternatively, 3 can be directly accessed in one step by reacting SIPr with C6F6 in presence of Mg metal. Compounds 2 and 3 were well characterized spectroscopically and by single-crystal X-ray diffraction studies. Experimental and computational studies support the cumulenic closed-shell singlet state of 3 with a singlet-triplet energy gap (Delta ES-T) of 23.7 kcal mol(-1).

}, keywords = {C-F activation, Density functional calculations, fluorine, Kekule diradicaloids, saturated NHC}, issn = {0947-6539}, doi = {10.1002/chem.201904421}, author = {Kundu, Gargi and De, Sriman and Tothadi, Srinu and Das, Abhishek and Koley, Debasis and Sen, Sakya S.} } @article {46077, title = {Self-assemblies of nucleolipid supramolecular synthons show unique self-sorting and cooperative assembling process}, journal = {Nanoscale}, volume = {11}, year = {2019}, month = {JUN }, pages = {11956-11966}, type = {Article}, abstract = {

The inherent control of the self-sorting and co-assembling process that has evolved in multi-component biological systems is not easy to emulate in vitro using synthetic supramolecular synthons. Here, using the basic component of nucleic acids and lipids, we describe a simple platform to build hierarchical assemblies of two component systems, which show an interesting self-sorting and co-assembling behavior. The assembling systems are made of a combination of amphiphilic purine and pyrimidine ribonucleoside-fatty acid conjugates (nucleolipids), which were prepared by coupling fatty acid acyl chains of different lengths at the 2 {\textquoteleft}-O- and 3 {\textquoteleft}-O-positions of the ribose sugar. Individually, the purine and pyrimidine nucleolipids adopt a distinct morphology, which either supports or does not support the gelation process. Interestingly, due to the subtle difference in the order of formation and stability of individual assemblies, different mixtures of supramolecular synthons and complementary ribonucleosides exhibit a cooperative and disruptive self-sorting and co-assembling behavior. A systematic morphological analysis combined with single crystal X-ray crystallography, powder X-ray diffraction (PXRD), NMR, CD, rheological and 3D X-ray microtomography studies provided insights into the mechanism of the self-sorting and co-assembling process. Taken together, this approach has enabled the construction of assemblies with unique higher ordered architectures and gels with remarkably enhanced mechanical strength that cannot be derived from the respective single component systems.

}, issn = {2040-3364}, doi = {10.1039/c9nr01863h}, author = {Nuthanakanti, Ashok and Walunj, Manisha B. and Torris, Arun and Badiger, Manohar V. and Srivatsan, Seergazhi G.} } @article {46442, title = {Semirational design and engineering of grapevine glucosyltransferases for enhanced activity and modified product selectivity}, journal = {Glycobiology}, volume = {29}, year = {2019}, month = {NOV}, pages = {765-775}, type = {Article}, abstract = {

Uridine diphosphate-dependent glycosyltransferases (UGTs) catalyze the transfer of a diversity of sugars to several acceptor molecules and often exhibit distinct substrate specificity. Modulation of glycosyltransferases for increased catalytic activity and altered substrate or product specificity are the key manipulations for the biotechnological use of glycosyltransferases in various biosynthetic processes. Here, we have engineered the binding pocket of three previously characterized Vitis vinifera glycosyltransferases, UGT88F12, UGT72B27 and UGT92G6, by structure-guided in silico mutagenesis to facilitate the interactions of active site residues with flavonol glucosides and thus modify substrate specificity and activity. Site-directed mutagenesis at selected sites, followed with liquid chromatography-mass spectrometry based activity assays, exhibited that mutant UGTs were altered in product selectivity and activity as compared to the wild-type enzymes. Mutant UGTs produced larger amounts of flavonol di-monosaccharide glucosides, which imply that the mutations led to structural changes that increased the volume of the binding pocket to accommodate a larger substrate and to release larger products at ease. Mutants showed increased activity and modified product specificity. Thus, structure-based systematic mutations of the amino acid residues in the binding pocket can be explored for the generation of engineered UGTs for diverse biotechnological applications.

}, keywords = {flavonol, Glycosyltransferase, in silico analysis, Mutagenesis, selectivity}, issn = {0959-6658}, doi = {10.1093/glycob/cwz056}, author = {Joshi, Rakesh and Trinkl, Johanna and Haugeneder, Annika and Haertl, Katja and Franz-Oberdorf, Katrin and Giri, Ashok and Hoffmann, Thomas and Schwab, Wilfried} } @article {46151, title = {Structure-property relations in regenerated cellulose fibers: comparison of fibers manufactured using viscose and lyocell processes}, journal = {Cellulose}, volume = {26}, year = {2019}, month = {APR}, pages = {3655-3669}, type = {Article}, abstract = {

Regenerated cellulose fibers are produced using two industrially dominant technologies: the viscose and lyocell processes. Here, we compare commercially available fibers, prepared using the viscose and lyocell processes. Single fibers are subjected to a variety of mechanical deformations to obtain stress-strain, stress relaxation and stress recovery data. These are fitted to a phenomenological model, whose parameters are interpreted in terms of the fiber semicrystalline microstructure. This simple model does not incorporate the complexities of semicrystalline microstructure. Rather, it represents structure in a semicrystalline polymer fiber in terms of an elastic crystalline phase that coexists with a viscoelastic Voigt-like glassy amorphous phase. Lyocell fibers are characterized by higher values of crystalline modulus relative to viscose. Lyocell fibers also have a higher amorphous phase modulus and a wider relaxation spectrum than viscose, suggesting that amorphous and crystalline phases are dispersed in close connectivity in lyocell. Viscose and lyocell fibers exhibit qualitative similarities in their mechanical response. On stretching, there is a transition in the stress-strain curve from a low strain elastic response at a critical value of strain. This critical strain has been incorrectly attributed to yielding of the fiber. We establish that this critical value corresponds to an apparent yield. When subjected to strains higher than this apparent yield point, the fibers develop a memory of the mechanical deformation. This memory decays slowly, logarithmically with time and is lost over about a day as the fiber structure transitions back to the original as spun fiber. Finally, we demonstrate that on wetting the fibers with water, there is an increase in the apparent yield strain for viscose fibers, but not for lyocell. We interpret these results in terms of the semicrystalline microstructure of the fibers.

}, keywords = {mechanical properties, Model, Regenerated cellulose, Yielding}, issn = {0969-0239}, doi = {10.1007/s10570-019-02352-w}, author = {Sharma, Aakash and Nagarkar, Shailesh and Thakre, Shirish and Kumaraswamy, Guruswamy} } @article {46223, title = {Synthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-Chromone fused alpha-aminophosphonates as src kinase inhibitors}, journal = {Journal of Scientific \& Industrial Research}, volume = {78}, year = {2019}, month = {FEB}, pages = {111-117}, type = {Article}, abstract = {

A series of novel chromone/aza-chromone fused alpha-aminophosphonate derivatives were synthesized in good yields using silica chloride as the catalyst. All the synthesized compounds were tested for their c-Src kinase inhibitory activity. Aza-chromone compound showed Src kinase inhibition with an IC50 value of 15.8 mu M. The compounds were subjected to molecular docking and dynamics simulations to study the atomic level interactions with an unphosphorylated proto-oncogenic tyrosine protein kinase Src (PDB code 1Y57) as well as phosphorylated tyrosine protein kinase Src (PDB code 2H8H). Docking and molecular dynamic results revealed phosphorylated Src tyrosine kinase protein better results than unphosphorylated tyrosine Src kinase protein. Chemoinformatics study revealed the compounds had lead like properties. Machine learning (SVR) models were built to study the structure activity correlations. A CC of 0.835 was obtained when the SVR model was applied to the 17 synthesized compounds. It is envisaged that the work will provide guidelines for future drug design efforts for Src kinase inhibitors.

}, author = {Bapat, S. and Viswanadh, N. and Mujahid, M. and Shirazi, A. N. and Tiwari, R. K. and Parang, K. and Karthikeyan, M. and Muthukrishnan, M. and Vyas, Renu} } @article {47493, title = {Synthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-chromone fused α-aminophosphonates as Src kinase inhibitors}, journal = {Journal of Scientific and Industrial Research}, volume = {78}, year = {2019}, month = {FEB}, pages = {111-117}, type = {Article}, abstract = {A series of novel chromone/aza-chromone fused α-aminophosphonate derivatives were synthesized in good yields using silica chloride as the catalyst. All the synthesized compounds were tested for their c-Src kinase inhibitory activity. Aza-chromone compound showed Src kinase inhibition with an IC50 value of 15.8 {\textmu}M. The compounds were subjected to molecular docking and dynamics simulations to study the atomic level interactions with an unphosphorylated proto-oncogenic tyrosine protein kinase Src (PDB code 1Y57) as well as phosphorylated tyrosine protein kinase Src (PDB code 2H8H). Docking and molecular dynamic results revealed phosphorylated Src tyrosine kinase protein better results than unphosphorylated tyrosine Src kinase protein. Chemoinformatics study revealed the compounds had lead like properties. Machine learning (SVR) models were built to study the structure activity correlations. A CC of 0.835 was obtained when the SVR model was applied to the 17 synthesized compounds. It is envisaged that the work will provide guidelines for future drug design efforts for Src kinase inhibitors.}, author = {Bapat, Sanket and Viswanadh, N. and Mujahid, M. and Shirazi, Amir Nasrolahi and Tiwari, Rakesh and Parang, Keykavous and Karthikeyan, Muthukumarasamy and Muthukrishnan, M. and Vyas, Renu} } @article {46175, title = {Targeted phenotypic screening in plasmodium falciparum and toxoplasma gondii reveals novel modes of action of medicines for malaria venture malaria box molecules (vol 3, e00534-17, 2018)}, journal = {MSphere}, volume = {4}, year = {2019}, month = {APR}, pages = {e00159-19}, type = {Correction}, issn = {2379-5042}, doi = {10.1128/mSphere.00159-19}, author = {Subramanian, Gowtham and Belekar, Meenakshi A. and Shukla, Anurag and Tong, Jie Xin and Sinha, Ameya and Chu, Trang T. T. and Kulkarni, Akshay S. and Preiser, Peter R. and Reddy, D. Srinivasa and Tan, Kevin S. W. and Shanmugam, Dhanasekaran and Chandramohanadas, Rajesh} } @article {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 {45482, title = {Thermally crosslinkable and chemically modifiable aromatic polyesters possessing pendant propargyloxy groups}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {57}, year = {2019}, month = {MAR}, pages = {588-597}, type = {Article}, abstract = {

New aromatic (co)polyesters containing pendant propargyloxy groups were synthesized by phase transfer-catalyzed interfacial polycondensation of 5-(propargyloxy)isophthaloyl chloride (P-IPC) and various compositions of P-IPC and isophthaloyl chloride with bisphenol A. FTIR and NMR spectroscopic data, respectively, revealed successful incorporation of pendant propargyloxy groups into (co)polyesters and formation of (co)polyesters with desired compositions. (Co)polyesters exhibited good solubility in common organic solvents such as chloroform, dichloromethane, and tetrahydrofuran and could be cast into transparent, flexible, and tough films from chloroform solution. Inherent viscosities and number average molecular weights of (co)polyesters were in the range 0.77-1.33 dL/g and 43,600-118,000 g/mol, respectively, indicating the achievement of reasonably high-molecular weights. The 10\% weight loss temperatures of (co)polyesters were in the range 390-420 degrees C, demonstrating their good thermal stability. (Co)polyesters exhibited T-g in the range 146-170 degrees C and T-g values decreased with increase in mol \% incorporation of P-IPC. The study of non-isothermal curing by DSC indicated thermal crosslinking of (co)polyesters via propargyloxy groups. The utility of pendant propargyloxy group was demonstrated by post-modification of the selected copolyester with 1-(4-azidobutyl)pyrene, 9-(azidomethyl)anthracene, and azido-terminated poly(ethyleneglycol) monomethyl ether via copper(I)-catalyzed Huisgen 1,3-dipolar cycloaddition reaction. FTIR and H-1 NMR spectra confirmed that click reaction was quantitative. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 588-597

}, keywords = {Click chemistry, crosslinking, modification, polyesters, propargyloxy, step-growth polymerization}, issn = {0887-624X}, doi = {10.1002/pola.29297}, author = {Verma, Savita and Maher, Deepak M. and Nagane, Samadhan S. and Tawade, Bhausaheb V. and Wadgaonkar, Prakash P.} } @article {45580, title = {Thermodynamic Analysis of EMISE{\textendash} water as a working pair for absorption refrigeration system}, journal = {Applied Thermal Engineering}, volume = {148}, year = {2019}, month = {FEB}, pages = {787-795}, type = {Article}, abstract = {

In this paper, thermodynamic analysis of novel ionic liquid 1 Ethyl-3-methylimidazolium ethyl sulphate (EMISE) as absorbent and water as green refrigerant for absorption refrigeration system (ARS) is performed. Thermodynamics excess properties like excess Gibbs free energy (GE), excess enthalpy (hE) and equilibrium D{\"u}hring{\textquoteright}s plot (P-T-x1) of EMISE-H2O binary mixture are assessed using non-random two liquid (NRTL) activity coefficient model for composition x1 of 0.45{\textendash}1. The performance of single effect ARS with SHE are mathematically modeled and simulated by applying first and second laws (exergy analysis) of thermodynamics. Simulated results of ARS are compared with other widely used working fluids and revealed higher COP of 0.66 for EMISE-H2O in comparison to NH3-H2O but lower than LiBr-H2O. In addition, the deviation in the COP and ECOP with the generator temperatures are compared for the evaporation temperature of 5, 10, 15 {\textdegree}C. Result showed noticeable difference between the optimum generator temperature based on COP and ECOP. This indicates the exergy analysis is used for evaluation of ARS and selection of heat source supply temperature obtained from waste heat and renewable solar energy.

}, doi = {10.1016/j.applthermaleng.2018.11.092}, author = {Takalkar, G. D. and Bhosale, R. R. and Mali, N. A. and Bhagwat, S. S.} } @article {46016, title = {Thiazolyl-pyrazole derivatives as potential antimycobacterial agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {29}, year = {2019}, month = {MAY}, pages = {1199-1202}, type = {Article}, abstract = {

Mycobacterium tuberculosis (Mtb) is an obligate aerobe that is capable of long-term persistence under conditions of low oxygen tension. A series of thiazolyl-pyrazole derivatives (6a-f, 7a-f, 8c, 8e) were screened for antimycobacterial activity against dormant M. tuberculosis H37Ra (D-MTB) and M. bovis BCG (D-BCG). Nine thiazolyl- pyrazole analogs, 6c, 6e, 7a, 7b, 7c, 7e, 7f, 8c and 8e exhibited promissing minimum inhibitory concentration (MIC) values (0.20-28.25 mu g/mL) against D-MTB and D-BCG strains of Mtb. Importantly, six compounds (7a, 7b, 7e, 7f, 8c and 8e) exhibited excellent antimycobacterial activity and low cytotoxicity at the maximum evaluated concentration of \> 250 mu g/mL. Finally, the promising antimycobacterial activity and lower cytotoxicity profile suggested that, these compounds could be further subjected for optimization and development as a lead, which could have the potential to treat tuberculosis.

}, keywords = {antimycobacterial activity, Cytotoxicity, Pyrazole, thiazoles}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2019.03.020}, author = {Takate, Sushma J. and Shinde, Abhijit D. and Karale, Bhausaheb K. and Akolkar, Hemant and Nawale, Laxman and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {45578, title = {Understanding the behavior of mixtures of protic-aprotic and protic-protic ionic liquids: conductivity, viscosity, diffusion coefficient and ionicity}, journal = {Journal of Molecular Liquids}, volume = {276}, year = {2019}, month = {FEB}, pages = {986-994}, type = {Article}, abstract = {We have investigated the physicochemical properties such as electrical conductivity, viscosity and diffusion coefficient for the binary mixtures of protic ionic liquids with aprotic ionic liquids and of protic with protic ionic liquids at 298.15 K. A significant enhancement in the electrical conductivity is observed for the binary mixtures of ionic liquids, as compared to those of the constituent pure ionic liquids and varied with the composition of the mixtures. The viscosity of binary mixtures of protic with aprotic ionic liquids, 1-butyl-3-methylimidazoliumbis(trifluoromethylsulfonyl)imide [bmIm][NTf2], 1-butyl-1-methylpyrrolidiumbis(trifluoromethylsulfonyl)imide [bmPyrr][NTf2] and 1,3-dimethylimidazolium methyl sulfate, [mmIm][CH3SO4] decreases with an increase in the composition of the [HmIm][CH3COO]. On the contrary, the viscosity for binary mixtures of protic with protic ionic liquid, 1-methylpyrrolidium acetate [HmPyrr][CH3COO] and 4-methylmorpholine acetate [HmMorph][CH3COO] increases upon the addition of 1-methylimidazolium acetate [HmIm][CH3COO]. The self diffusion coefficients were determined for all the binary mixtures of ionic liquids by using Pulsed Gradient Spin Echo (PGSE) NMR method. Self diffusion coefficients of [bmIm][NTf2]-[HmIm][CH3COO], [bmPyrr][NTf2]-[HmIm][CH3COO], [mmIm][CH3SO4]-[HmIm][CH3COO] are enhanced, while those of [HmPyrr][CH3COO]-[HmIm][CH3COO] and [HmMorph][CH3COO]-[HmIm][CH3COO] decreases on addition of [HmIm][CH3COO]. This is converse in the case of viscosity. Furthermore, the above correlations were interpreted with the help of NMR spectroscopy on the basis of interactions of ions in the binary mixtures of ionic liquids. Finally, we have quantified the ionicity through the Nernst{\textendash}Einstein equation and have confirmed the validity of the Walden rule for the binary mixture of ionic liquids.}, doi = {10.1016/j.molliq.2018.12.024}, author = {Thawarkar, S. and Khupse, N. D. and Shinde, D. R. and Kumar, A.} } @article {46832, title = {Alpha-Angelica lactone catalyzed oxidation of benzylic sp(3) C-H bonds of isochromans and phthalans}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {JUN }, pages = {4046-4050}, type = {Article}, abstract = {

A metal-free organocatalytic system has been developed for highly efficient benzylic C-H oxygenations of cyclic ethers using oxygen as an oxidant. This oxidation reaction utilizes alpha-angelica lactone as a low cost/low molecular weight catalyst. The optimized reaction conditions allow the synthesis of valued isocoumarins and phthalides from readily available precursors in good yields. Mechanistic studies indicate that the reaction pathway likely involves a radical process via a peroxide intermediate.

}, issn = {1477-0520}, doi = {10.1039/d0ob00729c}, author = {Thatikonda, Thanusha and Deepake, Siddharth K. and Kumar, Pawan and Das, Utpal} } @article {46617, title = {Anticancer potential of AgNPs synthesized using acinetobacter sp. and curcuma aromatica against HeLa cell lines: a comparative study}, journal = {Journal of Trace Elements in Medicine and Biology}, volume = {62}, year = {2020}, month = {DEC}, pages = {126630}, type = {Article}, abstract = {

Background: Biogenic nanoparticles are gaining attention due to their low toxicity and numerous biomedical applications. Present study aimed to compare the potential anticancer activity of two biogenic silver nanoparticles (bAgNPs and pAgNPs) against human cervical cancer cell lines (HeLa). Methods: bAgNPs were synthesized using Acinetobacter sp. whereas pAgNPs were synthesized using aqueous root extract of Curcuma aromatica. Effect of these nanoparticles on HeLa cells viability was studied using MTT assay and colony formation assay. Anticancer potential was determined using fluorescence microscopy and flow cytometry studies. Bio-compatibility studies were performed against peripheral blood mononuclear cells (PBMCs). Results: Both the nanoparticles showed 50 \% viability of peripheral blood mononuclear cells (PBMCs) when used at high concentration (200 mu g/mL). IC50 for bAgNPs and pAgNPs against HeLa cells were 17.4 and 14 mu g/mL respectively. Colony formation ability of Hela cells was reduced on treatment with both nanoparticles. Acridine orange and ethidium bromide staining demonstrated that bAgNPs were cytostatic whereas pAgNPs were apoptotic. JC-1 dye staining revealed that the mitochondrial membrane potential was affected on treatment with pAgNPs while it remained unchanged on bAgNPs treatment. Flow cytometry confirmed cell cycle arrest in HeLa cells on treatment with nanoparticles further leading to apoptosis in case of pAgNPs. About 77 and 58 \% HeLa cells were found in subG1 phase on treatment with bAgNPs and pAgNPs respectively. bAgNPs showed cytostatic effect on HeLa cells arresting the cell growth in subG1 phase, whereas, pAgNPs triggered death of HeLa cells through mitochondrial membrane potential impairment and apoptosis. Conclusion: Overall, bAgNPs and pAgNPs could be safe and showed potential to be used as anticancer nanoantibiotics against human cervical cancer cells.

}, keywords = {Acinetobacter sp., AgNPs, Anticancer, Curcuma aromatica, HeLa cells, PBMCs}, issn = {0946-672X}, doi = {10.1016/j.jtemb.2020.126630}, author = {Nadhe, Shradhda B. and Tawre, Madhumita S. and Agrawal, Sonia and Chopade, Balu A. and Sarkar, Dhiman and Pardesi, Karishma} } @article {46614, title = {Bacterial biofilm formation using PCL/curcumin electrospun fibers and its potential use for biotechnological applications}, journal = {Materials}, volume = {13}, year = {2020}, month = {DEC}, pages = {5556}, type = {Article}, abstract = {

Electrospun nanofibers are used for many applications due to their large surface area, mechanical properties, and bioactivity. Bacterial biofilms are the cause of numerous problems in biomedical devices and in the food industry. On the other hand, these bacterial biofilms can produce interesting metabolites. Hence, the objective of this study is to evaluate the efficiency of poly (x190;- caprolactone)/Curcumin (PCL/CUR) nanofibers to promote bacterial biofilm formation. These scaffolds were characterized by scanning electron microscopy (SEM), which showed homogeneous fibers with diameters between 441-557 nm; thermogravimetric analysis and differential scanning calorimetry (TGA and DSC) demonstrated high temperature resilience with degradation temperatures over \>350 degrees C; FTIR and H-1-NMR serve as evidence of CUR incorporation in the PCL fibers. PCL/CUR scaffolds successfully promoted the formation of Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa biofilms. These results will be valuable in the study of controlled harvesting of pathogenic biofilms as well as in metabolites production for biotechnological purposes.

}, keywords = {Bacteria, curcumin, electrospinning, Escherichia coli, Pseudomona aeruginosa, Staphylococcus aureus}, doi = {10.3390/ma13235556}, author = {Pompa-Monroy, Daniella Alejandra and Figueroa-Marchant, Paulina Guadalupe and Dastager, Syed G. and Thorat, Meghana Namdeo and Iglesias, Ana Leticia and Miranda-Soto, Valentin and Perez-Gonzalez, Graciela Lizeth and Villarreal-Gomez, Luis Jesus} } @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 {46954, title = {Binary mixtures of aprotic and protic ionic liquids demonstrate synergistic polarity effect: an unusual observation}, journal = {Journal of Solution Chemistry}, volume = {49}, year = {2020}, month = {FEB}, pages = {210-221}, type = {Article}, abstract = {

In this communication, we demonstrate the solute-solvent and solvent-solvent interactions in the binary mixtures of two aprotic ionic liquids, namely 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, with the protic ionic liquid 1-methylimidazolium acetate. The synergistic effects as expressed by the solvatochromic parameter are noted. This observation is in contrast to the mixing of protic ionic liquids 1-methylpyrrolidium acetate and 4-methylmorpholine acetate with 1-methylimidazolium acetate, respectively. It appears that the synergistic effects in the binary mixtures of aprotic and protic ionic liquids are caused by the formation of hydrogen bonds, since cations are dominant H-bond donors while anions are dominant H-bond acceptors. Preferential solvation models are used to describe the solute-solvent interactions in the binary ionic liquid mixtures.

}, keywords = {binary mixture, Ionic liquid, polarity, Preferential solvation, synergetic effect}, issn = {0095-9782}, doi = {10.1007/s10953-020-00952-w, Early Access Date = FEB 2020}, author = {Thawarkar, Sachin and Khupse, Nageshwar D. and Kumar, Anil} } @article {46947, title = {Biofilm formation to inhibition: role of zinc oxide-based nanoparticles}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {108}, year = {2020}, month = {MAR}, pages = {110319}, type = {Review}, abstract = {

Zinc oxide nanoparticles have received much attention worldwide as they possess unique properties like varied morphology, large surface area to volume ratio, potent antibacterial activity, and biocompatibility. Biofilm contains homogenous or heterogeneous microorganisms that remain enclosed in a matrix of an extracellular polymeric substance on biotic or abiotic surfaces. Bacterial biofilm formed on medical devices such as central venous catheters, urinary catheters, prosthetic joints, cardiovascular implantable devices, dental implants, contact lenses, intrauterine contraceptive devices and breast implants cause persistent infections. Such biofilm-associated infections in medical implants cause serious problems for public health and affect the function of medical implants. So, there is an urgent need for the use of an antimicrobial agent that will inhibit biofilm, including such antibiotic-resistant bacterial strains as bacteria, to develop multiple drug-resistances resulting in failure of the antibiotic{\textquoteright}s action. The antimicrobial agent used should be ideal in terms of biocompatibility, antimicrobial activity, stability at different environmental conditions, with less sensitivity to the development of resistance towards micro-organisms, safe for in vivo and in vitro use, and remain non-hazardous to the environment, etc. The first objective of the review discusses the insights into the formation of biofilm on a medical device with the current strategies to inhibit. The second purpose is to review the recent progress in ZnO- based nanostructure including composites for antibacterial and anti-biofilm activities. This will offer a new opportunity for the application of Zinc oxide-based material in the prevention of biofilm on the medical devices.

}, keywords = {antibacterial activity, Antibiofilm agent, Biocompatibility, Biofilm, Nanocomposites, ZnO nanoparticles}, issn = {0928-4931}, doi = {10.1016/j.msec.2019.110319}, author = {Mahamuni-Badiger, Pranjali P. and Patil, Pooja M. and Badiger, Manohar V. and Patel, Pratikshkumar R. and Thorat-Gadgil, Bhagyashi S. and Pandit, Abhay and Bohara, Raghvendra A.} } @article {46721, title = {Bioinspired synthesis of multifunctional silver nanoparticles for enhanced antimicrobial and catalytic applications with tailored SPR properties}, journal = {Materials Today Chemistry}, volume = {17}, year = {2020}, month = {SEP}, pages = {100285}, type = {Article}, abstract = {

In the developing nanotechnology world, numerous attempts have been made to prepare the nobel metallic nanoparticles (NPs), which can improve their applicability in diverse fields. In the present work, the biosynthesis of silver (Ag) NPs has been successfully achieved through the medicinal plant extract (PE) of G. resinifera and effectively used for the catalytic and antibacterial applications. The size dependant tuneable surface plasmon resonance (SPR) properties attained through altering precursor concentrations. The X-ray and selected area diffraction pattern for Ag NPs revealed the high crystalline nature of pure Ag NPs with dominant (111) phase. The high-resolution TEM images show the nonspherical shape of NPs shifting from spherical, hexagonal to triangular, with wide particle size distribution ranging from 13 to 44 nm. Accordingly, the dual-band SPR spectrum is situated in the UV-Vis spectra validating the non-spherical shape of Ag NPs. The functional group present on the Ag NPs surface was analysed by FT-IR confirms the capping and reducing ability of methanolic PE G. resinifera. Further, the mechanism of antimicrobial activity studied using electron microscope showed the morphological changes with destructed cell walls of E. coli NCIM 2931 and S. aureus NCIM 5021 cells, when they treated with Ag NPs. The Ag NPs were more effective against S. aureus and E. coli with MIC 128 mu g/ml as compared to P. aeruginosa NCIM 5029 with MIC 256 mu g/ml. Apart from this, the reduction of toxic organic pollutant 4-NP to 4-AP within 20 min reveals the excellent catalytic activity of Ag NPs with rate constant k = 15.69 s(-1). (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {Ag NPs, Antibacterial, Catalytic activity, Gardenia resinifera, surface plasmon resonance}, issn = {2468-5194}, doi = {10.1016/j.mtchem.2020.100285}, author = {Parit, S. B. and Karade, V. C. and Patil, R. B. and Pawar, V. N. and Dhavale, R. P. and Tawre, M. and Pardesi, K. and Jadhav, U. U. and Dawkar, V. V. and Tanpure, R. S. and Kim, J. H. and Jadhav, J. P. and Chougale, A. D.} } @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 {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 {46776, title = {Catalytic reductive deoxygenation of esters to ethers driven by hydrosilane activation through non-covalent interactions with a fluorinated borate salt}, journal = {Catalysis Science \& Technology}, volume = {10}, year = {2020}, month = {JUL}, pages = {4586-4592}, type = {Article}, abstract = {

We report the catalytic and transition metal-free reductive deoxygenation of esters to ethers through the use of a hydrosilane and a fluorinated borate BArF salt as a catalyst. Experimental and theoretical studies support the role of noncovalent interactions between the fluorinated catalyst, the hydrosilane and the ester substrate in the reaction mechanism.

}, issn = {2044-4753}, doi = {10.1039/d0cy00775g}, author = {Rysak, Vincent and Dixit, Ruchi and Trivelli, Xavier and Merle, Nicolas and Agbossou-Niedercorn, Francine and Vanka, Kumar and Michon, Christophe} } @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 {46867, title = {Connecting microscopic structures, mesoscale assemblies, and macroscopic architectures in 3D-printed hierarchical porous covalent organic framework foams}, journal = {Journal of the American Chemical Society}, volume = {142}, year = {2020}, month = {MAY }, pages = {8252-8261}, type = {Article}, abstract = {

The induction of macro and mesopores into two-dimensional porous covalent organic frameworks (COFs) could enhance the exposure of the intrinsic micropores toward the pollutant environment, thereby, improving the performance. However, the challenge is to build a continuous hierarchically porous macro-architecture of crystalline organic materials in the bulk scale. In this regard, we have strategized a novel synthetic method to create hierarchically porous COF foams consisting of ordered micropores (2-2.2 nm) and disordered meso and macropores (50 nm to 200 mu m) as well as ordered macropores (1.5 mm to 2 cm). Herein, graphene oxide was used for creating disordered macro and mesopores in COF-GO foams. Considering the rheological features of the precursor hydrogel, we could integrate crystalline and porous COF-GO foams into self-supported three-dimensional (3D)-printed objects with the desired shapes and sizes. Therefore, we have engineered the 3D macro-architecture of COF-GO foams into complex geometries keeping their structural order and continuous porosity intact over a range of more than a million (10(-9) m to 10(-3) m). The interconnected 3D openings in these COF-GO foams further enhance the rapid and efficient uptake of organic and inorganic pollutants from water (\>95\% removal within 30 s). The abundant distribution of interconnected macroporous volume (55\%) throughout the COF-GO foam matrix enhances the flow of water (1.13 x 10(-3) m.s(-1)) which results in efficient mass transport and adsorption.

}, issn = {0002-7863}, doi = {10.1021/jacs.0c00555}, author = {Mohammed, Abdul Khayum and Usgaonkar, Saurabh and Kanheerampockil, Fayis and Karak, Suvendu and Halder, Arjun and Tharkar, Minakshi and Addicoat, Matthew and Ajithkumar, Thalasseril G. and Banerjee, Rahul} } @article {46859, title = {Critical organic modifier aliphatic tail length for the formation of poly(methyl methacrylate)-montmorillonite nanocomposites}, journal = {Polymer Engineering and Science}, volume = {60}, year = {2020}, month = {JUL}, pages = {1604-1617}, type = {Article}, abstract = {

In this article, we report the influence of organic modifier structure (alkyl chain length C8-C20, single vs ditallow) and thereby, the effect of hydrophobicity on the structure, thermal and mechanical properties of poly(methyl methacrylate) (PMMA)-clay hybrids. Melt processed PMMA-clay hybrids were characterized using wide-angle X-ray diffraction, transmission electron microscopy, and differential scanning calorimetry. The organoclays having an alkyl chain length of more than 12 CH2 groups resulted in the formation of nanocomposites. The glass transition temperature (T-g) of PMMA increased in the presence of clay. The mean-field lattice model was used to predict the free energy for nanocomposite formation, which showed a reasonable match with the experimental results and provided a general guideline for the proper selection of polymer and organoclay (ie, organic modifier) to obtain nanocomposite. Tensile modulus showed maximum improvement of 58\% for the nanocomposites compared to 9\% improvement for the composites. Tensile modulus increased with increases in the alkyl chain length of the organic modifier and clay loading. The level of improvement for the tensile properties of nanocomposites prepared from primary and secondary ammonium-modified clay is the same as that obtained with the commercial organoclays.

}, keywords = {hybrid, mechanical properties, Montmorillonite, Nanocomposites, organoclay, poly(methyl methacrylate)}, issn = {0032-3888}, doi = {10.1002/pen.25405, Early Access Date = MAY 2020}, author = {Tiwari, Rajkiran R. and Natarajan, Upendra} } @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 {46841, title = {Design, expression, and evaluation of novel multiepitope chimeric antigen of Wuchereria bancrofti for the diagnosis of lymphatic filariasis - A structure-based strategy}, journal = {International Immunopharmacology}, volume = {83}, year = {2020}, month = {JUN}, pages = {106431}, type = {Article}, abstract = {

The Global Program for Elimination Lymphatic Filariasis (GPELF) is in an advanced stage and requires tools for diagnosing infection, assessing transmission and certification. This study was aimed at developing an antibody-based assay using a chiemric antigen containing multi-B-cell epitopes from antigens highly expressed in different stages of Wuchereria bancrofti to detect LF infection and its transmission. The antigen was express cloned and two indirect ELISA based (IgG1 \& IgG4 based) antibody assays were developed using the recombinant antigen. The chimeric antigen displayed 1 and 3-fold reactivity with IgG1 and IgG4 antibodies, respectively in microfilaraial (mf) positive sera when compared to that in sera samples of Non-endemic normal sera (NEN) (O.D, 0.13 +/- 0.20 and 0.18 +/- 0.07), thus differentiating infected from uninfected individuals. In IgG1 and IgG4 antibody assays, the multiepitope antigen also showed reactivity (O.D, 0.27 +/- 0.18 and 0.16 +/- 0.03) in a small proportion (18 and 30, respectively out of 156) endemic normal individuals and in IgG1 antibody in a few (4) chronic patients (CP). The antigen did not react with IgG1 or IgG4 antibodies in the sera samples of malaria, scrub typhus, dengue, hookworm, and roundworm helminth cases (0.139 +/- 0.018, 0.144 +/- 0.007 0.17804 +/- 0.007 and 0.162 +/- 0.006), thus showing its high specificity. The sensitivity (\%) and specificity (\%) of the multi-epitope antigen-based IgG1 and IgG4 antibody assays are 100, 98.1 and 100, 99.52, respectively. Thus, the recombinant multiepitope antigen appears to have good potential in detecting active LF infection and in assessing its transmission in endemic communities.

}, keywords = {Filariasis, Multi-epitope antigen, Serodiagnosis, Transmission}, issn = {1567-5769}, doi = {10.1016/j.intimp.2020.106431}, author = {Yasin, Nazeer and Laxmanappa, Hoti Sugerappa and Muddapur, Uday M. and Cheruvathur, Jennifer and Prakash, S. M. Uday and Thulasiram, Hirekodathakallu Venkataramaiah} } @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 {46740, title = {Effect of bio-filler on hybrid sisal-banana-kenaf-flax based epoxy composites: a statistical correlation on flexural strength}, journal = {Journal of Bionic Engineering}, volume = {17}, year = {2020}, month = {NOV}, pages = {1263-1271}, type = {Article}, abstract = {

This work deals with the investigation of the synergistic effect of bagasse ash with sisal-banana-kenaf-flax fibers reinforced epoxy composite for their flexural behavior. The composites with three combinations of hybrid fibers viz. sisal/kenaf (HSK), banana/kenaf (HBK), and banana/flax (HBF) with bagasse ash (BGA) as filler material are fabricated using vacuum bag assisted resin transfer molding. Experiments were conducted based on L27 orthogonal array to understand the influence of control factor viz. fiber volume, alkali concentration \& BGA over output response.X-ray micro computed tomography analysis was conducted over the developed sample to infer the uniform dispersion of fiber and filler material. The experimental results reveal that the addition of fiber up to 30 vol\% depicts better strength and further addition results in a negative impact. Increasing in order of BGA decreases the flexural strength of the developed composites.

}, keywords = {bagasse ash, flexural strength, natural fiber, vacuum bag assisted resin transfer molding, X-ray micro computed tomography}, issn = {1672-6529}, doi = {10.1007/s42235-020-0083-7, Early Access Date = AUG 2020}, author = {Vivek, Somasundaram and Kanthavel, Karuppusamy and Torris, Arun and Kavimani, Vijayananth} } @article {46641, title = {Electronic structure parameter of nuclear magnetic quadrupole moment interaction in metal monofluorides}, journal = {Journal of Chemical Physics}, volume = {153}, year = {2020}, month = {NOV}, pages = {184306}, type = {Article}, abstract = {

The electronic structure parameter (W-M) of the nuclear magnetic quadrupole moment (MQM) interaction in numerous open-shell metal monofluorides (viz., MgF, CaF, SrF, BaF, RaF, and PbF) is computed in the fully relativistic coupled-cluster framework. The electron-correlation effects are found to be very important for the precise calculation of W-M in the studied molecular systems. The molecular MQM interaction parameter scales nearly as Z(2) in the alkaline earth metal monofluorides, where Z is the nuclear charge of metal. Our study identifies (RaF)-Ra-223 as a good candidate for the experimental search of the nuclear MQM, which can help unravel the physics beyond the standard model in the hadron sector of matter.

}, issn = {0021-9606}, doi = {10.1063/5.0028669}, author = {Talukdar, Kaushik and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @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 {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 {47019, title = {Energetic and exergetic performance of NH3-H2O-based absorption refrigeration cycle: effect of operating factor}, journal = {International Journal of Exergy}, volume = {31}, year = {2020}, month = {JAN}, pages = {352-369}, type = {Article}, abstract = {

One of the major objectives while designing the vapour absorption refrigeration system (VARS) is to acquire better performance within the accessible heat source and sink temperature limit. In this paper, attempts are made to identify the temperature limit for the optimisation of a single stage ammonia refrigeration system (AAR) by performing a thermodynamic analysis. To estimate the potential of utilisation of low-grade heat energy, operating factor (R) is considered towards optimising the energetic (COP) and exergetic COP (ECOP). The simulated COP and ECOP results are expended to predict the feasibility and optimum operating region for an AAR cycle in terms of theRand various operating temperatures such asT(gen),T-abs,T-cond,T-e. The operating factorRcovers a wide range of applications i.e., from deep-freezing (253.15 K) to air conditioning (283.15 K) and from water-cooling (303.15 K) to air cooling (318.15 K).

}, keywords = {AAR, ammonia absorption refrigeration, cold storage, exergy, operating factor, solar energy}, issn = {1742-8297}, doi = {10.1504/IJEX.2020.107192}, author = {Takalkar, Gorakshnath Dadabhau and Bhosale, Rahul R. and Mali, Nilesh A. and Bhagwat, Sunil S.} } @article {46639, title = {Engineering staphylococcal protein A for high-throughput affinity purification of monoclonal antibodies}, journal = {Biotechnology Advances}, volume = {44}, year = {2020}, month = {NOV }, pages = {107632}, type = {Review}, abstract = {

Protein A chromatography is one of the most widely used purification steps in the manufacturing of the various classes of recombinant and non-recombinant antibodies. Due to the higher cost, lower binding capacity, and limited life cycle of Protein A ligand, this affinity-based purification step is often one of the most significant contributors to the cost of manufacturing of monoclonal antibody (mAb) products. In the last decade, there has been significant progress in improving the Protein A chromatography throughput by designing new engineered Staphylococcal Protein A (SPA) variants with higher dynamic binding capacity, considerable alkaline tolerance, and mild acidic elution pH. This review aims at summarizing the various protein engineering approaches used for improving the throughput of the Protein A-based affinity purification of various immunoglobulins. With biopharmaceutical producers operating under ever-increasing pressure towards reducing the cost of manufacturing, these advances in engineered protein A variants will help in processing larger cell culture volumes with high throughput and thereby significantly lower the cost of raw materials.

}, keywords = {Alkaline tolerance, Dynamic binding capacity, Elution pH, Monoclonal antibodies, Protein A}, issn = {0734-9750}, doi = {10.1016/j.biotechadv.2020.107632}, author = {Amritkar, Vinod and Adat, Satish and Tejwani, Vijay and Rathore, Anurag and Bhambure, Rahul} } @article {46836, title = {Enhancing the mechanical properties of 3D printed polylactic acid using nanocellulose}, journal = {Polymer Engineering and Science}, volume = {60}, year = {2020}, month = {AUG}, pages = {1842-1855}, type = {Article}, abstract = {

We report here a systematic investigation of the mechanical properties of polylactic acid (PLA) processed by fused filament fabrication (FFF) 3D printing vs PLA processed by compression molding. Our results show that the tensile strength and modulus of FFF-PLA is 49\% and 41\% lower, respectively, than compression molded samples of PLA. We also demonstrate here an approach to augment the mechanical properties of 3D printed PLA using nanocellulose. Incorporation of a small quantity (1 wt\%) of cellulose nanofibers (CNF) was found to enhance the tensile strength and modulus of 3D printed PLA by 84\% and 63\%, respectively. X-ray microtomography was used to probe the morphology of 3D printed PLA and PLA/CNF composites. 3D printed PLA/CNF composites had significantly lesser voids as compared to neat 3D printed PLA. Differential scanning calorimetry study revealed that CNF can accelerate the nucleation and crystallization of 3D printed PLA leading to enhanced crystallinity. The thermal stability of 3D printed PLA/CNF composites was not compromised by the addition of CNF. The enhanced mechanical properties of 3D printed PLA/CNF composites can be ascribed to higher crystallinity and lesser defects.

}, keywords = {3D printing, Biocomposites, composites, fused filament fabrication (FFF), Nanocellulose, polylactic acid (PLA)}, issn = {0032-3888}, doi = {10.1002/pen.25421, Early Access Date = JUN 2020}, author = {Ambone, Tushar and Torris, Arun and Shanmuganathan, Kadhiravan} } @article {46913, title = {Enolate-mediated regioselective synthesis of 1,2,3-triazoles via azide-aldehydes or ketones [3+2]-cycloaddition reactions in aqueous phase}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {MAR}, pages = {151662}, type = {Article}, abstract = {

A synthetic route for the direct conversion of arylazides into the corresponding trizoles via phase transfer catalyst-assisted [3+2] cycloaddition reaction under basic conditions in aqueous medium is reported. This synthetic methodology, which offers high yields and excellent regioselectivity for varieties of triazoles at 100 degrees C for 24 h-48 h and this {\textquoteleft}greener{\textquoteright} synthesis constitutes an alternative to the previously reported well established click reactions. Published by Elsevier Ltd.

}, keywords = {Azides plus aldehydes or ketones, Click chemistry, triazoles, Water}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.151662}, author = {Tripathi, Anupam and Rode, V, Chandrashekhar and Llop, Jordi and Chavan, Subhash P. and Joshi, Sameer M.} } @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 {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 {47331, title = {Examining the compatibility of energetic plasticizer DNDA-5 with energetic binders}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {57}, year = {2020}, month = {JAN 2}, pages = {46-54}, type = {Article}, abstract = {

The requirement of developing energetic binders with suitable energetic plasticizers is to enhance the mechanical properties and to reduce glass transition temperature of propellant and explosive formulations. Compatibility of energetic plasticizer 2,4-dinitro-2,4-diazapentane (DNDA-5) with four different energetic binders viz. poly glycidyl nitrate (PGN), poly(3-nitratomethyl-3-methyloxetane) (PLN), glycidyl azide polymer (GAP) and tetra functional glycidyl azide polymer (t-GAP) was studied by using differential scanning calorimeter (DSC) and density functional theory (DFT) methods. Results obtained for the pure binder was compared with the results obtained for binder/plasticizer blend in the parameters of decomposition temperature and the format of the peak which indicated the compatibility or incompatibility of DNDA-5 with the studied binders. Glass transition temperatures of all these blends were determined by low temperature DSC and showed desirable lowering of glass transition temperature with single peak in the case of PLN. The proposed energetic plasticizer DNDA-5 has displayed its compatibility with three binders PGN, PLN and GAP employing thermal techniques. DNDA-5 has been found as incompatible when it is mixed with t-GAP. The predicted relative trend of interaction energies between plasticizer and binder has provided concurrence to results drawn from thermal studies.

}, keywords = {Computational study, DNDA-5, Glass transition temperature, plasticizing effect, thermal}, issn = {1060-1325}, doi = {10.1080/10601325.2019.1669458}, author = {Vijayalakshmi, R. and Agawane, N. T. and Talawar, M. B. and Khan, Md Abdul Shafeeuulla} } @article {46994, title = {Functionalization of alkynes and alkenes using a cascade reaction approach: synthesis of beta-keto sulfones under metal-free conditions}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {JAN}, pages = {716-725}, type = {Article}, abstract = {

Here, we are reporting a multicomponent cascade reaction approach for the synthesis of beta-keto sulfones by exploiting differential reactivity pattern of substrates under open-atmosphere and metal-free conditions. The coupling partners are aryldiazonium salts, unsaturated compounds, and DABSO. The optimized conditions worked well with both alkenes and alkynes. Moreover, the reaction also works with metabisulfite for the source of sulfone. The controlled liquid chromatography-mass spectrometry and O-18-labelled experiments suggested that air is a source of the incoming oxygen atom of the keto group of beta-keto sulfones.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.9b02779}, author = {Kumar, Mukesh and Ahmed, Riyaz and Singh, Maninder and Sharma, Shweta and Thatikonda, Thanusha and Singh, Parvinder Pal} } @article {46722, title = {Functionalized single-walled carbon nanohorns to reinforce sulfonated poly(ether ether ketone) electrolyte for direct methanol fuel cells}, journal = {ChemElectroChem}, volume = {7}, year = {2020}, month = {SEP }, pages = {3632-3636}, type = {Article}, abstract = {

Carbon-nanomaterial-based additives are promising materials for improving the physicochemical properties of sulfonated polyether ether ketone (sPEEK) for its use as composite membrane electrolyte in direct methanol fuel cells (DMFCs). In this work, functionalized single-wall carbon nanohorns (f-SWNHs) are realized as an additive in sPEEK. The -COOH groups created on the SWNHs during peroxide treatment improve the dispersion of f-SWNHs in sPEEK and boost the proton conductivity, ion exchange capacity, mechanical properties and reduce the methanol permeability of the electrolyte. The composite membrane with 0.50 wt.\% f-SWNHs shows improved electrochemical selectivity of 17.03x10(-4) Scm(-3)s and delivers the highest peak power density of 230 mW cm(-2)in DMFCs.

}, keywords = {carbon nanohorns, direct methanol fuel cells, membrane electrolyte, proton conductivity, sulfonated poly ether ether ketone}, issn = {2196-0216}, doi = {10.1002/celc.202000866}, author = {Turanelloormana, Parameswaran and Sarmah, Sudeshna and Torris, Arun and Bhat, Santoshkumar D. and Unni, SreeKuttan M.} } @article {46925, title = {Geometrical isomerism directed electrochemical sensing}, journal = {Analytical Chemistry}, volume = {92}, year = {2020}, month = {MAR}, pages = {4541-4547}, type = {Article}, abstract = {

We report the independent role of isomerism of secondary sphere substituents over their nature, a factor often overlooked in molecular electrocatalysis pertaining to electrochemical sensing, by establishing that isomerism redefines the electronic structure at the catalytic reaction center via geometrical factors. UV-vis spectroscopy and X-ray photoelectron spectroscopy suggest that a substituent{\textquoteright}s isomerism in molecular catalysts conjoins molecular planarity and catalytic activation through competing field effects and resonance effects. As a classical example, we demonstrate the influence of isomerism of the -NO2 substituents for the electrocatalytic multi electron oxidation of As(III), a potentially important electrochemical pathway for water remediation and arsenic detection. The isomerism dependent oxidative activation of catalytic center leads to a nonprecious molecular catalyst capable for direct As(III) oxidation with an experimental detection limit close to WHO guidelines. This work opens up an unusual approach in analytical chemistry for developing various sensing platforms for challenging chemical and electrochemical reactions.

}, issn = {0003-2700}, doi = {10.1021/acs.analchem.9b05753}, author = {Kottaichamy, Alagar Raja and Begum, Shabbah and Devendrachari, Mruthyunjayachar Chattanahalli and Bhat, Zahid Manzoor and Thimmappa, Ravikumar and Kotresh, Harish Makri Nimbegondi and Vinod, Chathakudath Prabhakaran and Thotiyl, Musthafa Ottakam} } @article {46772, title = {Hexaaminobenzene derived two-dimensional polymer supercapacitor with high specific capacitance and energy density}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {JUL }, pages = {6352-6359}, type = {Article}, abstract = {

Recent research interest has been shifted toward energy storage devices, especially supercapacitors, which provide high specific power and long cycle life. In this context, two-dimensional organic polymers are a class of versatile materials found to be useful in energy storage applications. However, the performance is not promising due to the low capacitance, energy density, and cyclic stability. Here, we report a two-dimensional polymer derived from hexaaminobenzene and pyromellitic dianhydride and its excellent supercapacitor performance. The specific capacitance of the two-dimensional polymer is found to be 805 F g(-1) at 0.5 A g(-1) current density in galvanostatic charge-discharge, which is the highest among the organic twodimensional polymer and most of the carbon-based materials. The superior performance of the 2D-polymer compared to a model derivative (350 F g(-1) at 0.5 A g(-1) current density) points to the critical role of a 2D-platform to excel. The high energy density, excellent cyclic stability, and low self-discharge rate support the 2D-polymer supercapacitor as a promising candidate for futuristic applications.

}, keywords = {2D-polymer, energy density, Energy storage, hexaaminobenzene, supercapacitor}, issn = {2574-0962}, doi = {10.1021/acsaem.0c00569}, author = {Wakchaure, Vivek C. and Kottaichamy, Alagar R. and Nidhankar, Aakash D. and Ranjeesh, Kayaramkodath C. and Nazrulla, Mohammed A. and Thotiyl, Musthafa O. and Babu, Sukumaran S.} } @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 {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 {47002, title = {Integration of heterogeneous acid and base catalysis for clean synthesis of jet-fuel precursor from carbohydrates}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {JAN }, pages = {392-400}, type = {Article}, abstract = {

C-12 branched alkane fuel precursor was produced from carbohydrates using an efficient integrated solid acid and base catalysis approach involving: i) isomerisation-dehydration of carbohydrates to 5-(hydroxymethyl)furfural (HMF) over solid acid catalyst having both Lewis and Bronsted sites) in a biphasic MIBK (methylisobutylketone): water + DMSO solvent system and ii) Claisen-Schmidt condensation of crude HMF with MIBK over solid base catalyst. Initially, high yield of jet fuel precursor, (E)-1-(5-(hydroxymethyl)furan-2-yl)-5-methylhex-1-en-3-one from pure HMF and MIBK was achieved over basic CaMgAl(231) catalyst. The glucose dehydration to HMF was optimized in biphasic MIBK: H2O-NaCl: DMSO (8:1.5:0.5; v/v/v) system, with complete glucose conversion and 42\% HMF yield over Zr-Mont possessing both Lewis and Bronsted acid sites. In an integrated dehydration + Claisen-Schmidt condensation sequence, Zr-Mont catalyst was filtered off and the crude HMF with MIBK underwent Claisen-Schmidt condensation over CaMgAl(231) catalyst. The overall 32\% yield of Claisen-Schmidt condensation product was achieved from glucose. MIBK acting also as a product extractant, could be recovered upto 80\%.

}, keywords = {Claisen-Schmidt condensation, dehydration, integrated, jet-fuel precursor, renewable}, issn = {2365-6549}, doi = {10.1002/slct.201903735}, author = {Shinde, Suhas and Tarade, Komal and Mitra, Gaurav and Rode, Chandrashekhar} } @article {47027, title = {Magnetically separable catalyst for condensation of renewable aldehydes and 2-methylfuran to saturated cyclic oxygenates}, journal = {Fuel Processing Technology}, volume = {197}, year = {2020}, month = {JAN}, pages = {106191}, type = {Article}, abstract = {

The saturated cyclic ethers produced from biomass derived aldehydes and 2-methylfuran are the potential diesel fuel candidates. The synthesis of saturated cyclic ethers is a two step process which involves acid catalyzed condensation of aldehydes with 2-methylfuran and the subsequent selective furan ring hydrogenation of the condensation products. Here, we designed a novel recyclable magnetic solid acid catalyst such as [Fe3O4@SiO2-Pr-Py-H][2HSO(4)(2-)] and employed for the condensation of 2-methylfuran with formaldehyde as model substrates and reaction parameters were optimized. Under the set reaction conditions, condensation of 2-methylfuran with several other aldehydes were also successfully achieved with very good yields. Further, several supported noble metal catalysts were screened in order to find suitable catalyst system for selective furan ring hydrogenation of condensation products. Among those, 5\% Pd/C was found to be very active and selective for furan ring hydrogenation without formation of ring opened products under very low hydrogen pressure at room temperature. Prepared catalysts were thoroughly characterized with sophisticated techniques.

}, keywords = {fuel additives, Hydrogenation, Hydroxyalkylation-alkylation, Magnetic solid acid, Organosilica}, issn = {0378-3820}, doi = {10.1016/j.fuproc.2019.106191}, author = {Tarade, Komal and Shinde, Suhas and Rode, Chandrashekhar} } @article {46972, title = {Microstructural differences between Viscose and Lyocell revealed by in-situ studies of wet and dry fibers}, journal = {Cellulose}, volume = {27}, year = {2020}, month = {FEB}, pages = {1195-1206}, type = {Article}, abstract = {

Regenerated cellulose fibers manufactured using Lyocell and Viscose processes exhibit differences in their structural response to mechanical deformation. Here, we study the effect of stretching and stress relaxation on the orientation of crystal and amorphous phases. Our results show that on stretching, orientation in both crystal and amorphous phases increases linearly with strain, correlating with the increase in stress and with the stretching of the crystalline unit cell along the c-axis. On holding after stretching to a particular strain, the stress relaxes logarithmically in time, correlating with a decrease in the strain along the c-axis of the crystal unit cell. The stress relaxation is also correlated with a logarithmic increase in amorphous orientation, while crystalline orientation stays constant. We attribute the stress development during stretching to deformation of the crystal unit cell, while crystal reorientation in the fiber direction results in increase in the crystalline orientation parameter. On holding the fiber at a fixed total strain, the stress relaxes as strain is transferred from crystal to amorphous regions. Thus, the strain on the unit cell c-axis decreases and amorphous orientation increases. There are quantitative differences between the rate of increase in amorphous phase orientation during stress relaxation for Lyocell and Viscose fibers. For dry fibers, Lyocell shows a slower increase in orientation during stress relaxation. On wetting the fibers, their structural response changes qualitatively. We combine wide angle x ray diffraction and birefringence experiments with our model to infer that that on stretching the wet fiber, the crystalline phase is neither strained nor oriented. However, orientation develops in the amorphous phase. During stress relaxation in wet condition, Lyocell fibers shows a faster increase in amorphous orientation than Viscose fibers, in line with the comparison of relaxation time spectra for wet Viscose and Lyocell fibers. Graphic abstract

}, keywords = {birefringence, Crystal-amorphous orientation, In-situ WAXD, Regenerated cellulose}, issn = {0969-0239}, doi = {10.1007/s10570-019-02863-6}, author = {Sharma, Aakash and Thakre, Shirish and Kumaraswamy, Guruswamy} } @article {46732, title = {Mizoroki-Heck reaction of 1,2-disubstituted aryl alkenes: variables of synthesis, solvent and ligand modulation of reactivity}, journal = {Synthetic Communications}, volume = {50}, year = {2020}, month = {DEC }, pages = {3796-3803}, type = {Article}, abstract = {

Reaction of aryl iodides with 1,2-disubstituted aryl alkenes in the presence of TBABr/TBACl gave high yields of the Mizoroki-Heck product. Phosphine ligands were used for the modulation of reactivity and stereoselectivity, for the reaction of 4-iodoanisole with cinnamaldehyde. tert-Bu3P.HBF(4)gave the highest E:Z ratio of 1:0.08. The use of PEG-200 and PEG-400 as solvent could activate the reaction of aryl iodides with various 1,2-disubstituetd aryl alkenes.

}, keywords = {12-Disubstituted aryl alkenes, 400, ligand effect, Mizoroki-Heck reaction, PEG 200, TBABr}, issn = {0039-7911}, doi = {10.1080/00397911.2020.1811986, Early Access Date = AUG 2020}, author = {Bangar, Pronnoy G. and Jawalkar, Priyanka R. and Dumbre, Swapnil R. and Raut, Pallavi K. and Patil, Dharmaraj J. and Tv, Neethu and Sudhakaran, Shana and Iyer, Suresh} } @article {46904, title = {Morphological evolution of two-dimensional porous hexagonal trimesic acid framework}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {APR }, pages = {15588-15594}, type = {Article}, abstract = {

Hexagonal single crystal structure (Form II) of trimesic acid (TMA) has been isolated by dissolving the interpenetrated Form I of TMA in tetrahydrofuran. Form II (hexagonal) was converted to Form I (interpenetrated) at room temperature through some intermediate structures. A detailed time-dependent FESEM study shows that the external morphology of Form II (hexagonal) is a hollow hexagonal tube that mimics its crystal structure. The block-shaped (morphology) of Form I (interpenetrated) was converted to the hollow hexagonal tube through some intermediate morphologies which are corresponding to particular crystal structures. Here, we have established a strong correlation between crystal structures with the morphology. These hollow tubes have been employed for Rhodamine B dye adsorption studies and showed an uptake of 82\%, much more significant than Form I (interpenetrated) (39\%) due to the presence of a pore channel in the crystal structure.

}, keywords = {dye adsorption, hollow hexagonal rod, hydrogen-bonded organic framework, morphology evaluation, trimesic acid}, issn = {1944-8244}, doi = {10.1021/acsami.0c01398}, author = {Tothadi, Srinu and Koner, Kalipada and Dey, Kaushik and Addicoat, Matthew and Banerjee, Rahul} } @article {46868, title = {Naftopidil molecular salts with improved dissolution and permeation}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {MAY }, pages = {3064-3076}, type = {Article}, abstract = {

Naftopidil (NFPD) is a alpha 1 adrenoceptor antagonist drug. Low solubility and low permeability are the major drawbacks of this drug. The synthesis of multicomponent crystalline forms of this amine functional group drug with carboxylic acid coformers, both achiral and chiral acids, provides a solution to improve its solubility as well as permeability. Nine molecular salts were crystallized by liquid-assisted grinding followed by isothermal crystallization. Single-crystal X-ray diffraction analysis of the molecular salts showed that the structures are stabilized by strong N-H center dot center dot center dot O and O-H center dot center dot center dot O and weak C-H center dot center dot center dot O hydrogen bonds in the solid state. The bulk phase purity of new solid forms was confirmed by powder X-ray diffraction (PXRD), and the crystalline products were further characterized by IR spectroscopy and thermal analytical techniques (differential scanning calorimetry). The molecular salts exhibit superior dissolution rates compared to pure NFPD. However, during dissolution, NFPD showed decrease in concentration after 60 min for all salts due to precipitation. The supersaturation occurred due to salt disproportionation, which generates insoluble NFPD, as confirmed by PXRD of the residue. The salts reach high saturation concentration before 60 min, which is indicative of immediate release formulation to achieve fast onset of therapeutic activity. Moreover, the salts exhibit high saturation in phosphate buffer saline media and improved permeability compared to the pure drug. Finally, the D,L-malic acid racemate of NFPD shows enhanced dissolution and permeability compared to all other salts and pure NFPD.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b01689}, author = {Mannava, M. K. Chaitanya and Dandela, Rambabu and Tothadi, Srinu and Solomon, K. Anand and Nangia, Ashwini K.} } @article {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 {46974, title = {Novel pharmaceutical cocrystals and salts of bumetanide}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {FEB}, pages = {793-803}, type = {Article}, abstract = {

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

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b01195}, author = {Allu, Suryanarayana and Bolla, Geetha and Tothadi, Srinu and Nangia, Ashwini K.} } @article {46936, title = {Palladium-catalyzed oxidative annulation of pyrrolylalkyl-1H-azoles: towards the synthesis of polyheterocyclic arenes}, journal = {Synthesis-Stuttgart}, volume = {52}, year = {2020}, month = {MAR }, pages = {719-726}, type = {Article}, abstract = {

A highly efficient and regioselective palladium-catalyzed annulation protocol for a series of linear and terminally substituted 1,2- and 1,3-di(heteroaryl)alkanes to the corresponding polyheterocyclic arenes is reported. Herein, intramolecular oxidative coupling involving double C(sp(2))-H bond functionalization provides a feasible access to biheteroaryl systems annulated to a six-membered ring. The methodology is not restricted to six-membered annulations and was extended to the synthesis of compounds with a seven-membered ring and biheteroaryl core.

}, keywords = {C-H functionalization, imidazoles, oxidative coupling, Palladium, pyrroles}, issn = {0039-7881}, doi = {10.1055/s-0039-1691492}, author = {Tripathi, Krishna N. and Bansode, Avinash H. and Singh, Ravi P.} } @article {46788, title = {Relativistic coupled-cluster study of BaF in search of CP violation}, journal = {Journal of Physics B-Atomic Molecular and Optical Physics}, volume = {53}, year = {2020}, month = {JUL}, pages = {135102}, type = {Article}, abstract = {

BaF is one of the potential candidates for the experimental search of the electric dipole moment of the electron (eEDM). The NL-eEDM collaboration is building a new experimental set up to measure the eEDM using the BaF molecule (The NL-eEDM collaboration, 2018 Eur. Phys. J. D 72: 197). To analyze the results of such an experiment, one would require the accurate value of the molecular P, T-odd interaction parameters that cannot be measured from any experiment. In this work, we report the precise value of the P, T-odd interaction parameters of the BaF molecule obtained from the four-component relativistic coupled-cluster calculations. We also calculate the hyperfine structure (HFS) constants of the same molecule to assess the reliability of the reported molecular parameters. The calculated HFS constants show good agreement with the available experimental values. Further, the systematic effects of electron-correlation along with the roles of inner-core electrons and the virtual energy functions in the calculation of the studied properties of BaF are investigated.

}, keywords = {electric dipole moment of the electron, electron-correlation, Relativistic effects}, issn = {0953-4075}, doi = {10.1088/1361-6455/ab84c8}, author = {Talukdar, Kaushik and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {46927, title = {Relativistic double-ionization equation-of-motion coupled-cluster method: application to low-lying doubly ionized states}, journal = {Journal of Chemical Physics}, volume = {152}, year = {2020}, month = {MAR}, pages = {104302}, type = {Article}, abstract = {

This article deals with the extension of the relativistic double-ionization equation-of-motion coupled-cluster (DI-EOMCC) method [H. Pathak et al. Phys. Rev. A 90, 010501(R) (2014)] for the molecular systems. The Dirac-Coulomb Hamiltonian with four-component spinors is considered to take care of the relativistic effects. The implemented method is employed to compute a few low-lying doubly ionized states of noble gas atoms (Ar, Kr, Xe, and Rn) and Cl-2, Br-2, HBr, and HI. Additionally, we presented results with two intermediate schemes in the four-component relativistic DI-EOMCC framework to understand the role of electron correlation. The computed double ionization spectra for the atomic systems are compared with the values from the non-relativistic DI-EOMCC method with spin-orbit coupling [Z. Wang et al. J. Chem. Phys. 142, 144109 (2015)] and the values from the National Institute of Science and Technology (NIST) database. Our atomic results are found to be in good agreement with the NIST values. Furthermore, the obtained results for the molecular systems agree well with the available experimental values.

}, issn = {0021-9606}, doi = {10.1063/1.5140988}, author = {Pathak, Himadri and Sasmal, Sudip and Talukdar, Kaushik and Nayak, Malaya K. and Veval, Nayana and Pal, Sourav} } @article {46777, title = {Role of B site ions in bifunctional oxygen electrocatalysis: a structure-property correlation study on doped Ca(2)Fe(2)O(5)brownmillerites}, journal = {Physical Chemistry Chemical Physics}, volume = {22}, year = {2020}, month = {JUL }, pages = {15520-15527}, type = {Article}, abstract = {

The role of B site doping with transition metals in brownmillerites, a perovskite related family of compounds, in bifunctional oxygen electrocatalysis,viz., simultaneous reduction and evolution reactions, is analysed. Ca2Fe1.9M0.1O5(M = Mn, Co, Ni, and Cu) is synthesised and structurally characterised by powder XRD and Rietveld refinement. Valence states of the surface B site ions are identified by X-ray photoelectron spectroscopy. Bifunctional oxygen electrochemistry is studied with the RDE and RRDE techniques and correlated with the structural and electronic parameters like oxygen non-stoichiometry and B site catalytic activity. Since the widely accepted electronic descriptors like e(g)filling may not be sufficient for explaining the bifunctional activity, B site electron donating capability as well as the extent of oxygen vacancies enhancing O(2)adsorption is also considered. Such structural parameters are also found to influence both the ORR and OER and based on this, Ni doping is proposed as advantageous for the bifunctional activity.

}, issn = {1463-9076}, doi = {10.1039/d0cp02391d}, author = {Thundiyil, Shibin and Vinod, C. P. and Kurungot, Sreekumar and Devi, R. Nandini} } @article {46932, title = {Role of electron correlation in the P, T-odd effects of CdH: a relativistic coupled-cluster investigation}, journal = {Physical Review A}, volume = {101}, year = {2020}, month = {MAR }, pages = {032505}, type = {Article}, abstract = {

We investigate the parity (P) and time-reversal (T) symmetry violating effects in the CdH molecule and perform the relativistic coupled-cluster calculation of the molecular parameters-E-eff, W-s, and W-M-related to the electric dipole moment of electron (eEDM) interaction, the scalar-pseudoscalar (S-PS) nucleus-electron neutral current coupling, and the nuclear magnetic quadrupole moment (MQM) interaction with electrons, respectively. We also compute the molecular dipole moment and the magnetic hyperfine structure coupling constant of CdH. The values of E-eff, W-s, and W-M obtained by us in the said molecule are 12.2 GV/cm, 14.0 kHz, and 0.82 x 10(33) Hz/e cm(2), respectively, within an uncertainty of 10\%. Furthermore, we study the trend of electron-correlation in the computed properties of CdH and that of the P, T-odd parameters in the group-12 monohydrides (i.e., ZnH, CdH, and HgH).

}, issn = {2469-9926}, doi = {10.1103/PhysRevA.101.032505}, author = {Talukdar, Kaushik and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @inbook {47305, title = {Role of jasmonate in modulation of mycorrhizae-induced resistance against fungal pathogens}, booktitle = {Methods in Molecular Biology}, volume = {2085}, year = {2020}, pages = {109-115}, publisher = {Springer}, organization = {Springer}, abstract = {

Symbiotic association of plants with arbuscular mycorrhizal (AM) fungi brings about changes in levels of the phytohormone jasmonate (JA) in root and shoot tissues of a plant. The enhanced JA levels not only play a role in controlling the extent of AM colonization but are also involved in the expression of mycorrhizal-induced resistance (MIR) against pathogens. We describe a method used to study the levels of a volatile jasmonate derivative, methyl jasmonate (MeJA), in tomato plants colonized by AM fungi and in response to subsequent attack by the foliar pathogen Alternaria alternata.

}, doi = {10.1007/978-1-0716-0142-6_8}, author = {Nair, Aswathy and Thulasiram, H. V. and Bhargava, Sujata} } @article {46599, title = {Stepwise nucleophilic substitution to access saturated N-heterocyclic carbene haloboranes with boron-methyl bonds}, journal = {Organometallics}, volume = {39}, year = {2020}, month = {DEC}, pages = {4696-4703}, type = {Article}, abstract = {

Compounds of boranes with N-heterocyclic carbenes are known, yet little attention has been paid to NHC compounds of boron bearing methyl and halogen moieties together. The reason can be attributed to the hazardous methyldichloroborane (MeBCl2), which ignites in air. We describe here convenient solution-phase access to SIDipp.MeBCl2 (SIDipp = 1,3-bis(2,6-diisopropylphenyl)imidazolin-2-ylidene) (3) by a salt metathesis reaction of SIDipp.BCl3 (2) with MeLi. Replacement of the chlorine atoms of 3 with stepwise addition of AgOTf led to the formation of SIDipp.MeBCl(OTf) (4) and SIDipp.MeB(OTf)2 (5). In the case of 4, all of the substituents on the boron atom are different. Subsequently, we extended our synthetic approach to the amidinate system and prepared PhC(NtBu)2B(Me)Cl (7) from the reaction of PhC(NtBu)2BCl2 (6) with MeLi.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.0c00691}, author = {Kundu, Gargi and Pahar, Sanjukta and Tothadi, Srinu and Sen, Sakya S.} } @article {46969, title = {Stress-induced electronic structure modulation of manganese-incorporated Ni2P leading to enhanced activity for water splitting}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {FEB}, pages = {1271-1278}, type = {Article}, abstract = {

The cornerstone of the emerging hydrogen economy is hydrogen production by water electrolysis with concomitant oxygen generation. Incorporating a third element in metal phosphides can tune the crystalline and electronic structure, hence improving the electrocatalytic properties. In this work, Mn-doped Ni2P with varying ratios of Mn and Ni has been explored as excellent catalysts for water splitting. A complete cell made of the best catalyst Ni1.5Mn0.5P electrodes showed low voltage of 1.75 V at a current density of 10 mA cm(-2) due to enhanced electrical conductivity, induction of tensile stress, enhanced electrochemical surface area, and increased electric dipole upon Mn incorporation.

}, keywords = {Electronic Structure, hydrogen evolution reaction, Oxygen Evolution Reaction, phosphides, water splitting}, issn = {2574-0962}, doi = {10.1021/acsaem.9b02097}, author = {Sarkar, Shreya and Dheer, Lakshay and Vinod, C. P. and Thapa, Ranjit and Waghmare, V. Umesh and Peter, Sebastian C.} } @article {46712, title = {Structural and electrical characterization studies for ternary composite of polypyrrole}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {31}, year = {2020}, month = {NOV}, pages = {18400-18411}, type = {Article}, abstract = {

In this work, temperature dependence of alternate current (AC) and direct current (DC) conductivities of optimized polypyrrole/silver-tantalum oxide (PPy/Ag-Ta2O5), a ternary conducting polymer composite is comparatively studied with those of PPy and PPy/Ag. For the purpose, silver (Ag) nanoparticles were encapsulated with polypyrrole (PPy) by in situ oxidative polymerization to form core-shell structured PPy/Ag composite for which Ag nanoparticles were extracted from green tea. The PPy/Ag composite was then mechanically mixed with tantalum pentoxide (Ta2O5) to form PPy/Ag-Ta(2)O(5)ternary composite. Increase in depth of delocalization band of PPy in ternary composite as compared to those of PPy/Ag composite and PPy, indicating its increased AC conductivity confirmed from the comparative FTIR analyses. Interaction between PPy/Ag composite and Ta(2)O(5)in the ternary composite was confirmed from XRD studies. The formation of core-shell structured PPy/Ag composite and Ta(2)O(5)particles embedded in such PPy/Ag composite to form PPy/Ag-Ta(2)O(5)ternary composite confirmed from TEM and Raman studies. The frequency- and temperature-dependent electrical conductivity studies revealed increase in AC conductivity of the ternary composite as compared to those of PPy/Ag composite and pure PPy attributed mainly to interfacial effects. The charge transport in these samples predicted to be due to correlated barrier hopping of charges was confirmed by calculating their respective AC and DC activation energies.

}, issn = {0957-4522}, doi = {10.1007/s10854-020-04386-4, Early Access Date = SEP 2020}, author = {Megha, R. and Ravikiran, Y. T. and Kumari, S. C. Vijaya and Prakash, H. G. Raj and Revanasiddappa, M. and Manjunatha, S. and Dastager, Syed G. and Thomas, S.} } @article {46636, title = {Structural and physical analysis of underwater silk from housing nest composites of a tropical chironomid midge}, journal = {International Journal of Biological Macromolecules}, volume = {163}, year = {2020}, month = {NOV }, pages = {934-942}, type = {Article}, abstract = {

Chironomids are an abundant group of aquatic silk spinning insects. They offer a unique opportunity of silk harvestation without killing them; however, they remained underappreciated models in silk research. Here, we investigate the structural and biomechanical characteristics of silk from the midge, Chironomus ramosus. A combination of microscopic (SEM), spectroscopic (CD and IR), structural (XRD), thermal (DSC and TGA) and mechanical measurement tools and techniques were employed to gain critical insights on midge silk. Maximum yield of silk was obtained from Chironomus in similar to 2.5 h, the shortest time reported among insects. The network of water-insoluble silk fibres possessed the smallest diameter of 110 +/- 35 nm, known for any insect silk, qualifying its superiority in fibre fineness. We demonstrate a cruelty-free silk extraction method in contrast to the conventional violent techniques. Structural characterization indicated coexistence of various secondary conformations, beta sheets being predominant. We compare and contrast these features to well-characterized caddisfly and silk-worm silks and highlight the uniqueness in midge silk that render mechanical stability and potentially contribute to its multi-functionalization. We thus propose Chironomus as an emerging candidate of water-borne silk, especially in the context of the {\textquoteleft}Peace silk{\textquoteright} industry, aiming to develop non-violent methods for silk harvestation from animals. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {biopolymer, Chironomus, Commercial applications, Housing nest composite, Peace silk, Underwater silk}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.07.070}, author = {Thorat, Leena and Joseph, Emmanuel and Nisal, Anuya and Shukla, Ekta and RaviKumar, Ameeta and Nath, Bimalendu B.} } @article {46879, title = {Structural, molecular, functional and immunological characterization of Wuchereria bancrofti-galectin}, journal = {International Journal of Biological Macromolecules}, volume = {150}, year = {2020}, month = {MAY }, pages = {206-217}, type = {Article}, abstract = {

Galectins regulate growth and differentiation of immune cells and inflammation through their carbohydrate-binding function in humans, while also play a role in parasite survival. This study focused on the galectin of lymphatic filarial parasite Wuchereria bancrofti (Wb-Gal). The multiple sequence alignment with other galectins showed that the Wb-Gal belonged to galactoside binding lectin family, particularly tandem repeat type galectin-9. A homology model of Wb-Gal was developed in the I-TASser server using high similarity 3D structures with a quality score of 89.5. Molecular docking and dynamics studies revealed that the CCRD and NCRD of Wb-Gal bind with galactose and lactose. Further, Wb-Gal was cloned into the pET28 vector, expressed in E. coli Rosetta strain and purified by affinity chromatography. In the hemagglutination assays, the rWb-Gal bound to lactose, galactose, and glucose. Indirect Enzyme-Linked Immunosorbent Assay (ELISA) using different clinical filarial sera showed that the IgG and IgM response was against Wb-Gal x very high in all filarial clinical groups, whereas the IgA and IgG2 response was minimum to negligible. There was an enhanced response of IgG1 and IgG4 antibodies in Microfilaremics (MF) cases compared to Chronic Pathology (CP) and Endemic Normal (EN) individuals. Interestingly, the IgE response was comparatively higher in EN than MF and CP. These studies show that Wb-Gal is a member of the lectin family of proteins binding to different carbohydrates and may have an important role in the pathophysiology of filarial infection which needs to be investigated in greater detail. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Filariasis, Hemagglutination assay, Immunomodulation, Wuchereria bancrofti galectin}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.02.024}, author = {Yasin, Nazeer and Laxmanappa, Hoti Sugerappa and Muddapur, Uday M. and Cheruvathur, Jennifer and Prakash, S. M. Udaya and Thulasiram, Hirekodathakallu Venkataramaiah} } @article {46914, title = {Structural studies on 10-hydroxygeraniol dehydrogenase: a novel linear substrate-specific dehydrogenase from Catharanthus roseus}, journal = {Proteins-Structure Function and Bioinformatics}, volume = {88}, year = {2020}, month = {SEP}, pages = {1197-1206}, type = {Article}, abstract = {

Conversion of 10-hydroxygeraniol to 10-oxogeranial is a crucial step in iridoid biosynthesis. This reaction is catalyzed by a zinc-dependent alcohol dehydrogenase, 10-hydroxygeraniol dehydrogenase, belonging to the family of medium-chain dehydrogenase/reductase (MDR). Here, we report the crystal structures of a novel 10-hydroxygeraniol dehydrogenase from Catharanthus roseus in its apo and nicotinamide adenine dinucleotide phosphate (NADP(+)) bound forms. Structural analysis and docking studies reveal how subtle conformational differences of loops L1, L2, L3, and helix alpha 9{\textquoteright} at the orifice of the catalytic site confer differential activity of the enzyme toward various substrates, by modulating the binding pocket shape and volume. The present study, first of its kind, provides insights into the structural basis of substrate specificity of MDRs specific to linear substrates. Furthermore, comparison of apo and NADP(+) bound structures suggests that the enzyme adopts open and closed states to facilitate cofactor binding.

}, keywords = {10-hydroxygeraniol dehydrogenase, iridoid biosynthesis, medium-chain dehydrogenase, monoterpene indole alkaloids, reductase, X-ray crystallography}, issn = {0887-3585}, doi = {10.1002/prot.25891, Early Access Date = MAR 2020}, author = {Sandholu, Anand S. and Mujawar, Sharmila P. and Ramakrishnan, Krithika and Thulasiram, Hirekodathakallu V. and Kulkarni, Kiran} } @article {46938, title = {Study of interfacial adhesion between nickel-titanium shape memory alloy and a polymer matrix by laser surface pattern}, journal = {Applied Sciences-Basel}, volume = {10}, year = {2020}, month = {MAR}, pages = {2172}, type = {Article}, abstract = {

The aim of this article is to investigate the interfacial adhesion of Ni-Ti shape memory alloy with a polymer matrix of Poly (methyl methacrylate) (PMMA). The surface pattern on Ni-Ti plates was channeled by a solid state laser machine. The laser machine allows for creating channels on the Ni-Ti surface for infiltration of the PMMA matrix, which could be attached as an intra-surface locking pattern to the Ni-Ti surface. The influence of the PMMA matrix on the surface of the NiTi plate was evaluated by thermomechanical analysis (TMA) and dynamic mechanical analysis (DMA). The surface characterization was carried out by an optical microscope on the PMMA/NiTi composite after mechanical testing. During mechanical testing, the polymer displays the multiple cracks in the longitudinal direction that result in slipping and fracture. TMA and DMA analyses were performed on the Ni-Ti- and PMMA-coated Ni-Ti ribbon to observe elasticity and the storage modulus for both samples. Better adhesion than 80 \% was observed in the Ni-Ti surface, in the laser surface pattern, in comparison to the free plain surface. However, the polymer acts as mechanical backing that caused a reduction in the shape-memory properties of the composite material.

}, keywords = {adhesion, mechanical properties, NiTi composites, NiTi plate, PMMA, Polymer, surface features}, doi = {10.3390/app10062172}, author = {Samal, Sneha and Tyc, Ondrej and Heller, Ludek and Sittner, Petr and Malik, Monika and Poddar, Pankaj and Catauro, Michelina and Blanco, Ignazio} } @article {46735, title = {Synthesis and antimycobacterial screening of new 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-3-yl)quinoline derivatives}, journal = {Journal of Heterocyclic Chemistry}, volume = {57}, year = {2020}, month = {NOV}, pages = {3918-3929}, type = {Article}, abstract = {

A new series of 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-3-yl)quinoline (6a-t) have been synthesized by a click reaction of 4-(4-ethynyl-1-phenyl-1H-pyrazol-3-yl)quinoline (4a-d) with a substituted benzyl azide (5a-e). The starting alkyne derivatives4a-dare obtained from Bestmann-Ohira reaction of 1-phenyl-3-(quinolin-4-yl)-1H-pyrazole-4-carbaldehyde and dimethyl(1-diazo-2-oxopropyl)phosphonate. The newly synthesized compounds are screened againstM. tuberculosisH37Ra dormant and active,Escherichia coli,Pseudomonas fluorescence,Staphylococcus aureusandBacillus subtilisstrains at 30 mu g/mL concentration. Most of the screened compounds showed good to moderate antibacterial activity againstS. aureus,B. subtilis, andMycobacterium tuberculosisH37Ra strains. The synthesized derivatives of quinolinyl-pyrazole-4-carbaldehyde and quinolinyl-pyrazole-4-ethyne reportd good to moderate activity against both strains ofM. tuberculosisH37Ra. Ten derivatives of quinolinyl-pyrazole presented good activity againstB. subtilis. These results suggested that further optimization and development of quinolinyl-pyrazolyl-1,2,3-triazole moeity could serve as lead compounds for antimycobacterial activity.

}, issn = {0022-152X}, doi = {10.1002/jhet.4101, Early Access Date = AUG 2020}, author = {Thakare, Prashant P. and Walunj, Yogesh and Chavan, Abhijit and Bobade, Vivek D. and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {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 {46770, title = {Template assisted synthesis of Ni,N co-doped porous carbon from Ni incorporated ZIF-8 frameworks for electrocatalytic oxygen reduction reaction}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {JUL }, pages = {12343-12354}, type = {Article}, abstract = {

A heteroatom doped porous carbon electrocatalyst with enhanced oxygen reduction reaction (ORR) performance in alkaline medium was obtained by high temperature treatment of Ni incorporated ZIF-8 frameworks and its composite with g-C(3)N(4)as a supporting matrix template. The morphology and porosity of this heteroatom containing carbon were tuned by varying the Ni : Zn molar ratio in Ni/Zn ZIF-8 and Ni/Zn ZIF-8@g-C(3)N(4)composites. The template aided synthetic strategy using g-C(3)N(4)helped in the controlled decomposition of composites leading to a heteroporous sheet like architecture with increased nitrogen content. The Ni/Zn ZIF-8 sample on heat treatment in the 800-1000 degrees C temperature range led to the formation of Ni,N co-doped porous carbon (Ni-NPC) with Ni-C active sites. The defective sites induced by nickel carbide along with the distributed N atoms on the carbon surface enabled active O(2)adsorption sites. The high surface area, high degree of graphitisation as well as the defects created by well dispersed N and Ni on porous carbon matrices favoured charge separation leading to higher electrochemical ORR activity. The Ni,N co-doped carbon catalyst in alkaline medium exhibited a limiting current density of 5.2 mA cm(-2)with a half-wave potential of 0.76 Vvs.RHE in 0.1 M KOH. The catalyst also showed improved methanol tolerance and better stability compared to the standard Pt/C catalyst.

}, issn = {1144-0546}, doi = {10.1039/d0nj01373k}, author = {Priya K., Vaishna and Thomas, Minju and Illathvalappil, Rajith and K., Shijina and Kurungot, Sreekumar and Nair, Balagopal N. and Mohamed, A. Peer and Anilkumar, Gopinathan M. and Yamaguchi, Takeo and Hareesh, U. S.} } @article {46858, title = {Thermodynamic analysis and experimental validation of multi-composition ammonia liquor absorption engine cycle for power generation}, journal = {International Journal of Energy Research}, volume = {44}, year = {2020}, month = {DEC}, pages = {12430-12443}, type = {Article}, abstract = {

Energy conservation, utilization, and effective integration are of utmost importance for future sustenance. Accordingly, this work focuses on the generation of power from the low-grade temperature below 150 degrees C. A proposed novel multi-composition ammonia liquor absorption engine (MALAE) power cycle can be used toward the above purpose by supplying renewable energy obtained from low concentration type solar collectors. Proposed MALAE power cycle minimizes heal loss due to heat recovery and uses high purity NH3 vapors to expand through the isentropic turbine. MALAE power system is modeled and simulated using NH3-H2O as a working fluid for a reboiler temperature of 115 degrees C. The purpose of this work is to simulate the proposed MALAE power cycle with the distillation column and two solution heat exchanger (SHE). MALAE modeling and simulation is accomplished in SCILAB software. The simulation outcome is validated with the pilot-scale 5 kW experimental setup and validation showed +/- 5\% deviation. A comparison of MALAE cycle with published cycles signifies higher efficiency of MALAE cycle toward the utilization of low-grade energy from a temperature range of 100 degrees C to 150 degrees C. Finally, detailed parametric analysis of MALAE cycle efficiency is presented in terms of number of plates, distillation pressure and vapor flowrate, absorber temperature, pressure partial condenser temperature, and heat loads.

}, keywords = {absorption power cycle, ammonia water, low-temperature heat source, solar energy, Thermal Efficiency}, issn = {0363-907X}, doi = {10.1002/er.5463, Early Access Date = MAY 2020}, author = {Satpute, Satchidanand R. and Takalkar, Gorakshnath and Mali, Nilesh and Bhagwat, Sunil} } @article {46886, title = {Triazine-based organic polymer-catalysed conversion of epoxide to cyclic carbonate under ambient CO2 pressure}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {JUN }, pages = {1683-1687}, type = {Article}, abstract = {

In this work we have achieved epoxide to cyclic carbonate conversion using a metal-free polymeric catalyst under ambient CO2 pressure (1.02 atm) using a balloon setup. The triazine containing polymer (CYA-ANIS) was prepared from cyanuric chloride (CYA-Cl) and o-dianisidine (ANIS) in anhydrous DMF as solvent by refluxing under the N-2 gas environment. The presence of triazine and amine functional groups in the polymer results in the adsorption of CO2 up to 7 cc/g at 273 K. This inspired us to utilize the polymer for the conversion of a series of functionalised epoxides into their corresponding cyclic carbonates in the presence of tetrabutyl ammonium iodide (TBAI) as co-catalyst. The product has wide range of applications like solvent in lithium ion battery, precursor for polycarbonate, etc. The catalyst was efficient for the conversion of different mono and di-epoxides into their corresponding cyclic carbonates under atmospheric pressure in the presence of TBAI as co-catalyst. The study indicates that epoxide attached with electron withdrawing groups (like, CH2Cl, glycidyl ether, etc.) displayed better conversion compared to simple alkane chain attached epoxides. This is mainly due to the stabilization of electron rich intermediates produced during the reaction (e. g. epoxide ring opening or CO2 incorporation into the halo-alkoxide anion). This catalyst mixture was capable to maintain its reactivity up to five cycles without losing its activity. Post catalytic characterization clearly supports the heterogeneous and recyclable nature of the catalyst.

}, keywords = {CO2 fixation, cyclic carbonates, epoxides, Heterogeneouscatalyst, metal free catalyst, Triazinepolymer}, issn = {1861-4728}, doi = {10.1002/asia.201901277, Early Access Date = APR 2020}, author = {Biswas, Tanmoy and Halder, Arjun and Paliwal, Khusboo S. and Mitra, Antarip and Tudu, Gouri and Banerjee, Rahul and Mahalingam, Venkataramanan} } @article {46708, title = {Triton X-114 fractionated subcellular proteome ofleptospira interrogansshows selective enrichment of pathogenic and outer membrane proteins in the detergent fraction}, journal = {Proteomics}, volume = {20}, year = {2020}, month = {OCT}, pages = {2000170}, type = {Article}, abstract = {

The Triton X-114-based solubilization and temperature-dependent phase separation of proteins is used for subcellular fractionation where, aqueous, detergent, and pellet fractions represents cytoplasmic, outer membrane (OM), and inner membrane proteins, respectively. Mass spectrometry-based proteomic analysis of Triton X-114 fractions of proteomic analysis ofLeptospira interrogansidentified 2957 unique proteins distributed across the fractions. The results are compared with bioinformatics predictions on their subcellular localization and pathogenic nature. Analysis of the distribution of proteins across the Triton X-114 fractions with the predicted characteristics is performed based on {\textquoteleft}{\textquoteleft}number{\textquoteright}{\textquoteright} of unique type of proteins, and {\textquoteleft}{\textquoteleft}quantity{\textquoteright}{\textquoteright} which represents the amount of unique protein. The highest number of predicted outer membrane proteins (OMPs) and pathogenic proteins are found in aqueous and pellet fractions, whereas detergent fraction representing the OM has the highest quantity of OMPs and pathogenic proteins though lower in number than the aqueous and pellet fractions. This leaves the possibility of an upsurge in pathogenic proteins and OMPs on the OM under pathogenic conditions suggesting their potential use to combat leptospirosis. Further, the Triton X-114 subcellular fractions are more correlated to enrichment of pathogenic proteins predicted by MP3 software than predicted localization.

}, keywords = {intensity-based absolute quantification, Leptospira, outer membrane protein, subcellular localization, Triton X-114}, issn = {1615-9853}, doi = {10.1002/pmic.202000170, Early Access Date = SEP 2020}, author = {Thoduvayil, Sikha and Dhandapani, Gunasekaran and Brahma, Rahul and Devasahayam Arokia Balaya, Rex and Mangalaparthi, Kiran K. and Patel, Krishna and Kumar, Manish and Tennyson, Jebasingh and Satheeshkumar, P. K. and Kulkarni, Mahesh J. and Pinto, Sneha M. and Prasad, T. S. Keshava and Madanan, Madathiparambil G.} } @article {47011, title = {Unprecedented isomerism-activity relation in molecular electrocatalysis}, journal = {Journal of Physical Chemistry Letters}, volume = {11}, year = {2020}, month = {JAN }, pages = {263-271}, type = {Article}, abstract = {

The role of electrocatalysts in energy storage/conversion, biomedical and environmental sectors, green chemistry, and much more has generated enormous interest in comprehending their structure-activity relations. While targeting the surface-to-volume ratio, exposing reactive crystal planes and interfacial modifications are time-tested considerations for activating metallic catalysts; it is primarily by substitution in molecular electrocatalysts. This account draws the distinction between a substituent{\textquoteright}s chemical identity and isomerism, when regioisomerism of the -NO2 substituent is conferred at the {\textquoteleft}{\textquoteleft}alpha{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}beta{\textquoteright}{\textquoteright} positions on the macrocycle of cobalt phthalocyanines. Spectroscopic analysis and theoretical calculations establish that the beta isomer accumulates catalytically active intermediates via a cumulative influence of inductive and resonance effects. However, the field effect in the alpha isomer restricts this activation due to a vanishing resonance effect. The demonstration of the distinct role of isomerism in substituted molecular electrocatalysts for reactions ranging from energy conversion to biosensing highlights that isomerism of the substituents makes an independent contribution to electrocatalysis over its chemical identity.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.9b02689}, author = {Kottaichamy, Alagar Raja and Begum, Shabbah and Nazrulla, Mohammed Azeezulla and Dargily, Neethu Christudas and Devendrachari, Mruthyunjayachari Chattanahalli and Bhat, Zahid Manzoor and Thimmappa, Ravikumar and Kotresh, Harish Makri Nimbegondi and Vinod, Chathakudath Prabhakaran and Thotiyl, Musthafa Ottakam} } @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 {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 {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 {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 {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 {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 {47715, title = {Construction of IrO2@Mn3O4 core-shell heterostructured nanocomposites for high performance symmetric supercapacitor device}, journal = {Journal of Alloys and Compounds}, volume = {887}, year = {2021}, month = {DEC }, pages = {161328}, type = {Article}, abstract = {In the present work, we have designed and synthesized nanocomposite of IrO2@Mn3O4 with two-step simple and scalable chemical routes. In this route, nanofibers of IrO2 were synthesized by a single nozzle electrospinning technique onto which Mn3O4 was overlaid by a simple SILAR route. The ratio of Mn3O4 and IrO2 was varied by varying the SILAR cycles onto electrospun IrO2 thin film as 20, 40, 60, and 80 cycles. The structural, morphological, and energy storage performance of IrO2@Mn3O4 composite elec-trodes were investigated. A 2 V kinetic potential with a rectangular-shaped cyclic voltammogram was observed for the IrO2@Mn3O4 electrodes. Moreover, the specific capacitance of 1027 F/g at 1 mA/cm(2) was observed for the optimized electrode which is superior as compared with other electrodes. The opti-mized electrode showed better current and voltage than the individual compounds which might be due to the synergic effect of IrO2 and Mn3O4. Finally, a PVA-LiClO4 gel electrolyte-based solid-state IrO2@ Mn3O4//IrO2@Mn3O4 symmetric device was fabricated. The symmetric device possessed an energy density of 81 Wh/kg with a power delivery of 714 W/kg which was capable to light up a green LED. Hence, the 2D transition metal oxides laminated on 1D metal oxides with high conductivity can be promising electrodes for future research. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {And nanoflakes, Charge storage kinetics, Electrochemical properties, electrospinning, IrO2@Mn3O4 nanocomposite, nanofibers, SILAR}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.161328}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Shin, J. C. and Patil, P. S.} } @article {47631, title = {Construction of two-component chemically reactive supramolecular assemblies-acyl migration reactions in cocrystals of napthalene-2,3-diol and its diesters}, journal = {ChemPlusChem}, volume = {86}, year = {2021}, month = {AUG}, pages = {1128-1134}, type = {Article}, abstract = {Reactions in solids are of contemporary interest due to applications in pharmaceutical industries to environmental sustainability. Although several reactive crystals that support chemical reactions have been identified and characterized, the same cannot be said about reactive cocrystals. Earlier we correlated the facile acyl group transfer reactions in crystals with supramolecular parameters obtained from the crystal structures. The structure-reactivity correlation revealed the requirement of proper juxtaposition of electrophile (C=O) and the nucleophile (OH) with distance (similar to 3.2 angstrom) and angle (similar to 90 degrees) along the chain structure. The current article describes the preparation of cocrystals that are capable of supporting intermolecular acyl group transfer reactions in a group of structurally similar molecules. The cocrystals of naphthalene 2,3-diol and its corresponding diesters showed a facile solid state acyl transfer reaction, which has been well correlated with their crystal structures.}, keywords = {Acylation, domino reactions, intermolecular interactions, reaction in cocrystal, solid-state reactions, X-ray diffraction}, issn = {2192-6506}, doi = {10.1002/cplu.202100139}, author = {Bahadur, Vir and Gonnade, Rajesh G. and Tamboli, I. Majid and Krishnaswamy, Shobhana and Shashidhar, Mysore S.} } @article {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 {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 {47422, title = {Diverse reactivity of carbenes and silylenes towards fluoropyridines}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {MAY }, pages = {4428-4431}, type = {Article}, abstract = {

The reaction of IDipp with C5F5N led to functionalization of all three carbon atoms of the imidazole ring with HF2- as the counter-anion (1). Reactivity with 2,3,5,6-tetrafluoropyridine gives only C-F bond activation leaving C-H bonds intact (5b). The reaction of SIDipp with C5F5N in the presence of BF3 afforded the ring cleavage product (3). Analogous reactions with silylene led to oxidative addition at the Si(II) center.

}, issn = {1359-7345}, doi = {10.1039/d1cc01401c, Early Access Date = MAR 2021}, author = {Kundu, Gargi and Ajithkumar, V. S. and Bisai, Milan Kumar and Tothadi, Srinu and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47379, title = {Diverse reactivity of NOBF4 towards silylene, disilene, germylene and stannylene}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {MAY}, pages = {5008-5011}, type = {Article}, abstract = {

{The reactivity of NOBF4 towards silylene, disilene, germylene, stannylenes has been described. Smooth syntheses of compounds of composition [PhC(NtBu)(2)E(= O -\> BF3)N(SiMe3)(2)

}, issn = {1359-7345}, doi = {10.1039/d1cc01034d, Early Access Date = APR 2021}, author = {Parvin, Nasrina and Sen, Nilanjana and Muhasina, Puthan Veetil and Tothadi, Srinu and Parameswaran, Pattiyil and Khan, Shabana} } @article {47110, title = {Efficient electrochemical oxygen reduction to hydrogen peroxide by transition metal-doped silicate Sr0.7Na0.3SiO3-delta}, journal = {ACS Applied Materials \& Interfaces}, volume = {13}, year = {2021}, month = {JAN}, pages = {382-390}, type = {Article}, abstract = {

Electrochemical oxygen reduction in a selective two-electron pathway is an efficient method for onsite production of H2O2. State of the art noble metal-based catalysts will be prohibitive for widespread applications, and hence earth-abundant oxide-based systems are most desired. Here we report transition metal (Mn, Fe, Ni, Cu)-doped silicates, Sr0.7Na0.3SiO3-delta, as potential electrocatalysts for oxygen reduction to H2O2 in alkaline conditions. These novel compounds are isostructural with the parent Sr0.7Na0.3SiO3-delta and crystallize in monoclinic structure with corner-shared SiO4 groups forming cyclic trimers. The presence of Na stabilizes O vacancies created on doping, and the transition metal ions provide catalytically active sites. Electrochemical parameters estimated from Tafel and Koutechy-Levich plots suggest a two-electron transfer mechanism, indicating peroxide formation. This is confirmed by the rotating ring disc electrode method, and peroxide selectivity and Faradaic efficiency are calculated to be in the range of 65-82\% and 50-68\%, respectively, in a potential window 0.3 to 0.6 V (vs RHE). Of all the dopants, Ni imparts the maximum selectivity and efficiency as well as highest rate of formation of H2O2 at 1.65 mu mol s(-1).

}, keywords = {H2O2, mixed metal oxide, ORR, silicate}, issn = {1944-8244}, doi = {10.1021/acsami.0c16311}, author = {Thundiyil, Shibin and Kurungot, Sreekumar and Devi, R. Nandini} } @article {47357, title = {Elastic piezoelectric aerogels from isotropic and directionally ice-templated cellulose nanocrystals: comparison of structure and energy harvesting}, journal = {Cellulose}, volume = {28}, year = {2021}, month = {JUL}, pages = {6323-6337}, type = {Article}, abstract = {

We report the preparation of highly compressible and elastic piezoelectric aerogels of carboxylated cellulose nanocrystals (CNCs). Aqueous CNC dispersions containing polyethyleneimine and crosslinker were frozen isotropically to yield isotropic aerogels, while oriented aerogels were prepared by directional freezing. These aerogels were highly flexible and porous (similar to 85\% void fraction), exhibiting greater than 90\% recovery at 50\% compressive strain even after 100 compression-decompression cycles. Since such aerogels with low bulk modulus and high anisotropy would be an ideal platform for leveraging the piezoelectric properties of CNCs, we used them to prepare piezoelectric nanogenerator devices and determined their energy transduction behavior. Anisotropic aerogels led to an enhanced open-circuit voltage of 840 mV (at similar to 8 N applied force), which is over 2.6 times higher than isotropic aerogels (320 mV). The energy density of anisotropic aerogels was around 52 nW/cm(2), representing outstanding piezoelectric performance for cellulose-based aerogels. Such aerogels with high compressibility, elastic recovery and exceptional piezoelectric performance could have potential applications in sensors, wearable electronics, etc.

}, keywords = {Aerogel, Anisotropic, Cellulose nanocrystals, energy harvesting, Piezoelectricity}, issn = {0969-0239}, doi = {10.1007/s10570-021-03896-6, Early Access Date = MAY 2021}, author = {Ram, Farsa and Biswas, Bipul and Torris, Arun and Kumaraswamy, Guruswamy and Shanmuganathan, Kadhiravan} } @article {47736, title = {Elucidating the effect of CaF2 on structure, biocompatibility and antibacterial properties of S53P4 glass (vol 831, 154704, 2020)}, journal = {Journal of Alloys and Compounds}, volume = {883}, year = {2021}, month = {NOV}, pages = {161253}, type = {Correction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.161253}, author = {Prasad, Sakthi and Ganisetti, Sudheer and Jana, Anuradha and Kant, Shashi and Sinha, P. K. and Tripathy, Sucheta and Illath, Kavya and Ajithkumar, T. G. and Annapurna, K. and Allu, Amarnath R. and Biswas, Kaushik} } @article {47439, title = {Elucidating the effect of solid base on the hydrogenation of C5 and C6 sugars over Pt{\textendash}Sn bimetallic catalyst at room temperature}, journal = {Carbohydrate Research}, volume = {505}, year = {2021}, month = {JUL}, pages = {108341}, type = {Article}, abstract = {

Conversion of sugars into\ sugar alcohols\ at room temperature with exceedingly high yields are achieved over Pt{\textendash}Sn/γ-Al2O3\ catalyst in the presence of calcined\ hydrotalcite. pH of the reaction mixture significantly affects the conversion and selectivity for sugar alcohols. Selection of a suitable base is the key to achieve optimum yields. Various solid bases in combination with Pt{\textendash}Sn/γ-Al2O3\ catalysts were evaluated for hydrogenation of sugars. Amongst all combinations, the mixture (1:1\ wt/wt) of Pt{\textendash}Sn/γ-Al2O3\ and calcined hydrotalcite showed the best results. Hydrotalcite helps to make the pH of reaction mixture alkaline at which sugar molecules undergo ring opening. The sugar molecule in open chain form has\ carbonyl group\ which can be polarized by Sn in Pt{\textendash}Sn/γ-Al2O3\ and Pt facilitates the hydrogenation. In the current work, effect of both; solid base and Sn as a promoter has been studied to improve the yields of sugar alcohols from various C5 and C6 sugars at very mild reaction conditions.

}, keywords = {Bimetallic catalyst, Hydrogenation, Hydrotalcites, Sugar, Sugar alcohols}, issn = {0008-6215}, doi = {10.1016/j.carres.2021.108341}, author = {Tathod, Anup P. and Dhepe, Paresh L.} } @article {47738, title = {Engineering microstructure of LiFe(MoO4)(2) as an advanced anode material for rechargeable lithium-ion battery}, journal = {Journal of Materials Science-Materials In Electronics}, volume = {32}, year = {2021}, month = {OCT}, pages = {24273-24284}, type = {Article}, abstract = {Graphite is considered as an ideal anode material for lithium-ion battery (LIB) due to its high stability, good conductivity and wide source of availability. However, the low energy density and theoretical capacity of graphite cannot meet the needs of high performance anode materials. To circumvent this issue, alternative materials have been sought for many years now. Herein, we report the synthesis of highly crystalline lithium iron molybdate LiFe(MoO4)(2) by combustion method and evaluated its performance as an anode material for lithium-ion batteries. Triclinic LiFe(MoO4)(2) crystals having particle size 2-5 mu m with good crystallinity were obtained. The material shows long cycle life and high rate performance than commercial graphite and exhibits first reversible discharge capacity of 931.6 mAh/g at a current density of 100 mA/g which is three times higher than commercial graphite. The high specific capacity together with the outstanding rate and cycle performance makes LiFe(MoO4)(2) a promising anode material for LIB. A detailed analysis on the crystal structure and electronic properties of LiFe(MoO4)(2) is presented based on DFT studies to complement the experimental observations.}, issn = {0957-4522}, doi = {10.1007/s10854-021-06892-5}, author = {Tamboli, Asiya M. and Tamboli, Mohaseen S. and Dwivedi, Pravin Kumari and Praveen, C. S. and Karbhal, Indrapal and Shelke, V, Manjusha and Kim, Bomyung and Park, Chinho and Kale, Bharat B.} } @article {47639, title = {Fabrication of bacterial nanocellulose/polyethyleneimine (PEI-BC) based cationic adsorbent for efficient removal of anionic dyes}, journal = {Journal of Polymer Research}, volume = {28}, year = {2021}, month = {SEP}, pages = {354}, type = {Article}, abstract = {A bacterial cellulose (BC) based adsorbent was prepared by using polyethyleneimine (PEI) using epichlorohydrin as a cross-linker. The physicochemical characterization of the of the developed adsorbent was carried out using FTIR, BET analysis and SEM, respectively. The dye removal efficiency of the adsorbent was assessed towards two anionic model dyes viz. congo red (CR) and reactive red 120(RR). The kinetic data for the removal of both the anionic dyes were fitted better using pseudo-second-order model. Langmuir model describes well the process of adsorption with predicted maximum adsorption capacity (q(max)) 515.46 and 300.3 mg L-1 for CR (at pH 6.0) and RR (at pH 3.0) respectively. The adsorption-desorption study showed that PEI-BC adsorbent is effective with more than 90\% dye removal efficiency even after four cycles. Furthermore, the bactericidal activity of the adsorbent was analysed using Escherichia coli and Staphylococcus aureus and adsorbent showed good inhibition against both test organisms. The study reveals that PEI-BC adsorbent can be a good candidate for water remediation purpose bearing multifunctional behaviour.}, keywords = {adsorbent, Anionic dyes, Bacterial cellulose, Bactericidal, Polyethyleneimine}, issn = {1022-9760}, doi = {10.1007/s10965-021-02702-y}, author = {Thorat, Meghana N. and Jagtap, Ashish and Dastager, Syed G.} } @article {47030, title = {Fabrication of high energy density supercapacitor device based on hollow iridium oxide nanofibers by single nozzle electrospinning}, journal = {Applied Surface Science}, volume = {546}, year = {2021}, month = {APR }, pages = {149102}, type = {Article}, abstract = {

Herein, we have synthesized iridium oxide (IrO2) nanofibers using electrospinning technique and optimization of annealing temperature is undertaken in order to obtain high quality IrO2 nanofibers. The annealing temperature is varied as 200, 300, 400 and 500 degrees C. The synthesized material has hollow nanofibrous morphology with average diameter similar to 45 nm. The formed nanofibers are amorphous in nature. The X-ray Photoelectron Spectroscopy (XPS) result revealed that synthesized iridium is in +4 oxidation state. The electrochemical performance of IrO2 electrodes showed 2 V potential window in three electrode system using 1 M Sodium sulphate (Na2SO4) aqueous electrolyte. The maximum specific capacitance is obtained for sample annealed at 400 degrees C (705F/g at 1 mA/cm(2)) which is due to the well-developed morphology with complete removal of polymer content. Moreover, a novel solid state symmetric IrO2/IrO2 supercapacitor with a high operating voltage of 2 V is built. The symmetric supercapacitor exhibits an energy density of 59 Wh/kg at a power density of 714 W/kg and an excellent cycling stability. These results demonstrate the potentialities of using IrO2 for symmetric supercapacitor for building high energy and power density devices.

}, keywords = {Aqueous electrolyte, Hollow iridium oxide nanofibers, Symmetric supercapacitor}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.149102}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Patil, D. S. and Pawar, S. A. and Shin, J. C. and Patil, P. S.} } @article {47127, title = {Glucosinolate induces transcriptomic and metabolic reprogramming in Helicoverpa armigera}, journal = {3 Biotech}, volume = {11}, year = {2021}, month = {JAN}, pages = {26}, type = {Article}, abstract = {

Glucosinolates protect plants from herbivory. Lepidopteran insects have developed resistance to glucosinolates which is well studied. However, the molecular effects of glucosinolate intake on insects are unexplored. To elucidate this, we performed transcriptomics and metabolomics of sinigrin-fed Helicoverpa armigera. Transcriptomics exhibits significant dysregulation of 2375 transcripts, of which 1575 are upregulated and 800 downregulated. Gene Ontology analysis of differentially expressed genes reveals that key hydrolases, oxidoreductases, and transferases are majorly affected. The negative impact of sinigrin is significant and localized in the endomembrane system and mitochondria. It also disturbs various biological processes such as regulation of protein metabolism and cytoskeletal organization. Furthermore, H. armigera putative myrosinase-like enzymes may catalyze the breakdown of sinigrin to allyl isothiocyanate (AITC). AITC targets the electron transport chain causing oxidative stress. KEGG pathway enrichment shows significant upregulation of oxidative phosphorylation, glutathione metabolism and amino acid metabolism. Activation of these pathways induces glutathione synthesis for sinigrin detoxification. Differential gene expression indicates upregulation of glutathione S-transferase and succinate dehydrogenase suggesting mitochondrial impact. Transcriptomics data correlated with metabolomics show changes in serine, methionine, ornithine, and other metabolite levels. It corroborates well with the transcript alterations supporting the increased glutathione production. Thus, our data suggest that sinigrin generates oxidative stress in H. armigera and insects alter their metabolic wiring to overcome sinigrin-mediated deleterious effects.

}, keywords = {Detoxification, Glucosinolate, Glutathione, mitochondria, Oxidative stress}, issn = {2190-572X}, doi = {10.1007/s13205-020-02596-5}, author = {Jagdale, Shounak and Tellis, Meenakshi and Barvkar, Vitthal T. and Joshi, Rakesh S.} } @article {47804, title = {Green antibacterial molecules: sophorolipids with varying fatty acid chain}, journal = {Trends in Biomaterials and Artificial Organs}, volume = {35}, year = {2021}, month = {NOV}, pages = {431+}, type = {Article}, abstract = {Antibiotic resistance is a rising problem of over the last decade making it difficult to treat infections caused by various pathogenic bacteria. To tackle this problem, newer antimicrobial strategies are being explored. Sophorolipids (SLs) are a class of biomolecules produced by a non-pathogenic yeast Starmarella bombicola (S. bombicold) with surfactant as well as potent broad spectrum antibacterial activity. In this work, we have successfully synthesized sophorolipids using different fatty acids with increasing chain length of hydrophobic tail; Lauric acid (C12)-LASL, Myristic acid (C14)-MASL, Palmitic acid (C16)-PASL and Stearic acid (C18)-SASL. We have used various techniques like FTIR, HRMS to characterize the synthesized SL. Further, we have measured properties like the critical micellar concentration for these biosurfactants and the SL{\textquoteright}s showed CMC less than or equal to 100 mg/L indicating excellent surface-active property. We have studied the antibacterial activity against gram-negative and gram-positive bacteria. Interestingly, the antibacterial activity was found to be more potent as the chain length of the fatty acid in the SL decreased. This trend was found to be reverse for toxicity towards mammalian cells. The shorter chain fatty acid SL{\textquoteright}s were found to be less cytotoxic. These results indicate that the sophorolipid candidates with shorter chain lengths would be beneficial for various biomedical applications such as tissue engineering, regenerative medicine and wound healing. Keywords: sophorolipid, biosurfactant, short chain fatty acid, antibacterial}, keywords = {Antibacterial agents, Cells (Biology), Infection, Microbial drug resistance, Saturated fatty acids, Surface active agents}, isbn = {09711198}, url = {https://link.gale.com/apps/doc/A684660702/AONE?u=anon~d0cd1b4e\&sid=googleScholar\&xid=1a6d61d9}, author = {Hirlekar, Swarali and Abhyankar, Isha and Kane, Kartiki and Trimukhe, Kalpana and Prabhune, Asmita and Nisal, Anuya} } @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 {47716, title = {Hierarchical ITO nanofibers coated Mn3O(4) nanoplates core-shell nanocomposites for high performance all-solid-state symmetric supercapacitor device}, journal = {Ceramics International}, volume = {47}, year = {2021}, month = {NOV }, pages = {29771-29785}, type = {Article}, abstract = {We have made a first attempt to build a novel Tin doped indium oxide@Manganese oxide (ITO@Mn3O4) nanocomposite electrode to overcome the detriments of Mn3O4 such as low conductivity and small potential window. Herein, we have synthesized the ITO@Mn3O4 nanocomposite by growing Mn3O4 nanoplates over ITO nanofibers synthesized by electrospinning technique. Benefitted from, the high conductivity and negative operating potential window of ITO exceptionally increased in the electrochemical performance of ITO@Mn3O4 was observed. The specific capacitance of optimized ITO@Mn3O4 nanocomposite reached up to 823 F/g at 1 mA/ cm2 in a wide potential window of 2 V using Na2SO4 electrolyte. To determine the practical feasibility an ITO@Mn3O4//ITO@Mn3O4 all-solid-state symmetric device was developed, which operated very well in a 2.2 V voltage window. It was found to deliver a maximum energy density of 88 Wh/kg and a power density of 550 W/ kg. This novel composite inferred the significance of using simple design to build a high-performance device.}, keywords = {electrospinning, ITO@Mn3O4 nanocomposite, PVA-LiClO4, SILAR, Solid-state symmetric device}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2021.07.149}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Pawar, K. K. and Patil, D. S. and Shin, J. C. and Patil, P. S.} } @article {47131, title = {High efficiency lithium storage in 3D composite foam of Co3O4 nanoparticles integrated carbon nanohorns}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {263}, year = {2021}, month = {JAN}, pages = {114839}, type = {Article}, abstract = {

A well-designed 3 dimensional (3D) nanocomposite foam of Co3O4 nanoparticles and functionalized carbon nano horns (CNH) is prepared by feasible wet chemistry followed by lyophilization. This 3D nanocomposite foam is evaluated electrochemically as anode material for lithium-ion battery (LIB). 3D hierarchical mesoporous hybrid of functionalized carbon nano horn-Co3O4 (CCO) shows excellent lithium storage properties with long cycle life due to high surface area, good conductivity, 3D interconnected mesoporous structure, mechanical and chemical stability and shortened diffusion path length for Li+ ions during lithiation-delithiation. The Co3O4 nanoparticles incorporated into interconnected CNH foam effectively increases the number of active sites of CCO nanocomposite and consequently increase in the reversible specific capacity and coulombic efficiency. Different compositions of CNH foam with Co3O4 nanoparticles are prepared, among which the CCO 1:1 foam displays reversible capacity of 797 mAhg1 at current density of 0.1 Ag-1 along with excellent rate performance. High specific capacity of around 702 mAhg(-1) is obtained even at the current density of 5 Ag-1.

}, keywords = {3D CCO foam, carbon nanohorns, Excellent rate capability, Li ion diffusion coefficient, Long Cycle life}, issn = {0921-5107}, doi = {10.1016/j.mseb.2020.114839}, author = {Dwivedi, Pravin K. and Parte, Golu and Thripuranthaka, M. and Shelke, Manjusha V.} } @article {47353, title = {Highly compressible ceramic/polymer aerogel-based piezoelectric nanogenerators with enhanced mechanical energy harvesting property}, journal = {Ceramics International}, volume = {47}, year = {2021}, month = {JUN }, pages = {15750-15758}, type = {Article}, abstract = {

Ceramic piezoelectric materials have orders of magnitude higher piezoelectric coefficients compared to polymers. However, their brittleness precludes imposition of large strains in mechanical energy harvesting applications. We report here that ice templating affords low bulk modulus lead-free aerogel piezoelectric nanogenerators (PENG) with unprecedented combination of flexibility and high piezoelectric response (voltage and power density). A modified ice templating protocol was used to fabricate piezoelectric nanocomposites of surface modified BaTiO3 (BTO) nanoparticles in crosslinked polyethylene imine. This protocol allowed incorporating a significantly high fraction of BTO particles (up to 83 wt \%) in the aerogel, while retaining remarkably high compressibility and elastic recovery up to 80\% strain. The output voltage, at an applied compressive force of 20 N (100 kPa), increased with BTO loading and a maximum output voltage of 11.6 V and power density of 7.22 ?W/cm2 (49.79 ?W/cm3) was obtained for PENG aerogels containing 83 wt\% BTO, which is orders of magnitude higher than previously reported values for foam-based piezoelectric energy harvesters. The BTO/PEI PENGs also showed cyclic stability over 900 cycles of deformation. PENGs with higher porosity showed better elastic recovery and piezoelectric properties than lower porosity and higher BTO content aerogels. To the best of our knowledge, this is the first report to demonstrate the piezoelectric properties of high ceramic content aerogels having very high compressibility and elastic recovery.

}, keywords = {Ceramic polymer aerogels, energy harvesting, ice templating, piezoelectric}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2021.02.147}, author = {Ram, Farsa and Suresh, Karthika and Torris, Arun and Kumaraswamy, Guruswamy and Shanmuganathan, Kadhiravan} } @article {47689, title = {Hydrogenolysis of benzofuran using aqueous ethanol solution over graphite-supported platinum catalyst}, journal = {Journal of the Indian Chemical Society}, volume = {98}, year = {2021}, month = {FEB}, pages = {100021}, type = {Article}, abstract = {Graphite-supported platinum catalysts (Pt/G) were highly active for the hydrogenolysis of benzofuran to o-ethylphenol in aqueous ethanol solution at 523 K without using any external hydrogen gas. The hydrogenolysis activities and selectivity to o-ethylphenol in ethanol solution over Pt/G were higher than those with a conventional method using externally supplied hydrogen gas. Both water and ethanol were indispensable for the hydrogenolysis in aqueous ethanol solution at 523 K.}, keywords = {Biomass conversion, Graphite support, Hydrogenolysis, platinum catalysts}, issn = {0019-4522}, doi = {10.1016/j.jics.2021.100021}, author = {Hiraishi, Yushi and Minakawa, Naohiro and Taniguchi, Kenkichi and Nagasawa, Yoshiyuki and Nanao, Hidetaka and Rode, V, Chandrashekhar and Sato, Osamu and Yamaguchi, Aritomo and Shirai, Masayuki} } @article {47455, title = {Hydrophilic 3D interconnected network of bacterial nanocellulose/black titania photothermal foams as an efficient interfacial solar evaporator}, journal = {ACS Applied Bio Materials}, volume = {4}, year = {2021}, month = {APR}, pages = {4373{\textendash}4383}, type = {Article}, abstract = {

The design and development of scalable, efficient photothermal evaporator systems that reduce microplastic pollution are highly desirable. Herein, a sustainable bacterial nanocellulose (BNC)-based self-floating bilayer photothermal foam (PTFb) is designed that eases the effective confinement of solar light for efficient freshwater production via interfacial heating. The sandwich nanoarchitectured porous bilayer solar evaporator consists of a top solar-harvesting blackbody layer composed of broad-spectrum active black titania (BT) nanoparticles embedded in the BNC matrix and a thick bottom layer of pristine BNC for agile thermal management, the efficient wicking of bulk water, and staying afloat. A decisive advantage of the BNC network is that it enables the fabrication of a lightweight photothermal foam with reduced thermal conductivity and high wet strength. Additionally, the hydrophilic three-dimensional (3D) interconnected porous network of BNC contributes to the fast evaporation of water under ambient solar conditions with reduced vaporization enthalpy by virtue of intermediated water generated via a BNC{\textendash}water interaction. The fabricated PTFb\ is found to yield a water evaporation efficiency of 84.3\% (under 1054 W m{\textendash}2) with 4 wt \% BT loading. Furthermore, scalable PTFb\ realized a water production rate of 1.26 L m{\textendash}2\ h{\textendash}1\ under real-time conditions. The developed eco-friendly BNC-supported BT foams could be used in applications such as solar desalination, contaminated water purification, extraction of water from moisture, etc., and thus could address one of the major present-day global concerns of drinking water scarcity.

}, doi = {10.1021/acsabm.1c00143}, author = {Nabeela, Kallayi and Thorat, Meghana and Sumina, N. B. and Ramachandran, Animesh M. and Thomas, Reny Thankam and Preethikumar, Gopika and Mohamed, A. Peer and Asok, Adersh and Dastager, Syed Gulam and Pillai, Saju} } @article {47053, title = {Improvement in serum amylase and glucose levels in diabetic rats on oral administration of bisdemethoxycurcumin from Curcuma longa and limonoids from Azadirachta indica}, journal = {Journal of Food Biochemistry}, volume = {45}, year = {2021}, month = {APR}, pages = {e13674}, type = {Article}, abstract = {

Curcuma longa and Azadirachta indica are traditionally used in Indian cuisine and Ayurvedic medicine as nutraceuticals against diabetes. The crude C. longa isopropanol extract, bisdemethoxycurcumin (BDMC), the purified bioactive component from C. longa, and limonoids azadiradione, gedunin from A. indica, are able to inhibit in vitro the antidiabetic target human pancreatic alpha-amylase independently. However, no reports on their in vivo efficacy in animal models exist. Thus, the antidiabetic effect of these orally administered human pancreatic alpha-amylase inhibitors was performed on streptozotocin-induced Sprague-Dawley rats. Initially, the normal rats were treated with test compounds (10-100 mg/kg of body weight) in corn oil (5 ml/kg), and as no lethality was observed in these doses, further studies were carried out with lowest concentration of 10 mg/kg of body weight. A reduction in area under curve (AUC) suggested glucose-lowering effect of these compounds in starch fed diabetic rats. The efficacy study showed a significant improvement in body weight, blood glucose levels, serum amylase, and fructosamine levels as well in other serum parameters associated with diabetes with respect to liver and renal functions. Hence, under in vivo conditions, inhibition of alpha-amylase activity by BDMC and limonoids affirms it as one of the mechanisms of action resulting in reduction of blood glucose levels. Practical applications Bisdemethoxycurcumin from C. longa and limonoids, namely, azadiradione and gedunin, from A. indica are potent inhibitors of the antidiabetic target human pancreatic alpha-amylase. Oral Starch Tolerance Test (OSTT) and 28-day efficacy study to check the effect of these orally administered inhibitors in diabetic rat models showed significant improvements in serum blood glucose and amylase levels as well as in other diabetes related serum parameters, namely, bilirubin, lipids, lactate dehydrogenase, alkaline phosphatase, and urea. The study contributes to understanding the action and efficacy of these pancreatic alpha-amylase inhibitors and suggests a potential role for them as nutraceuticals/therapeutics in management of post-prandial hyperglycemia.

}, keywords = {\&\#8208, \&\#945, Amylase inhibitors, Azadiractha indica, BDMC, Curcuma longa, in vivo rat studies, Limonoids}, issn = {0145-8884}, doi = {10.1111/jfbc.13674, Early Access Date = FEB 2021}, author = {Ramkumar, Sudha and Thulasiram, V. H. and RaviKumar, Ameeta} } @article {46705, title = {Injectabledextran-fluorenylmethoxycarbonylphenylalanine composite hydrogels with improved mechanical properties}, journal = {Polymer International}, volume = {70}, year = {2021}, month = {FEB}, pages = {222-229}, type = {Article}, abstract = {

Low molecular weight hydrogels are recently gaining importance owing to their applications in material sciences and biology. A new class of composite hydrogel was developed using polysaccharides such as dextran and fluorenylmethoxycarbonyl phenylalanine (FmocF) in a phosphate buffer. The molecular weight and concentration of the dextran were varied to obtain rigid but injectable hydrogels without using other crosslinking agents. From the different molecular weights of dextran studied (5k, 40k and 70k), a combination of FmocF (0.6\% w/v) and dextran 40k (0.012\% w/v) composite gels yielded a maximum value of storage modulus of approximately 1500 Pa, which is 3.5 times higher than the storage modulus of pure FmocF gels. Scanning electron microscopy of FmocF/dextran composite gels revealed highly tangled fibrous structures with dense branches and lower fiber diameter compared to pure FmocF gels. The high-intensity hydrogen-bonded N-H peak in the infrared spectra showed enhanced hydrogen bonding in FmocF/dextran composite gels compared to pure FmocF gels. The dextran acts as an impurity in the process of fibrillation, leading to a crystallographic mismatch, and densely packed thin fibers are formed. These gels exhibited gel to sol and sol to gel conversion with temperature or external stress and showed injectable behavior. (c) 2020 Society of Industrial Chemistry

}, keywords = {Dextran, Fmoc-Phe, hydrogels, injectable gels, Rheology}, issn = {0959-8103}, doi = {10.1002/pi.6118, Early Access Date = SEP 2020}, author = {Abraham, Jancy N. and Joseph, Seena and Trivedi, Rishabh and Karle, Mrunal} } @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 {47343, title = {Limonoid biosynthesis 3: functional characterization of crucial genes involved in neem limonoid biosynthesis (vol 184, 112669, 2021)}, journal = {Phytochemistry}, volume = {187}, year = {2021}, month = {JUL}, pages = {112751}, type = {Correction}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.112751}, author = {Pandreka, Avinash and Chaya, Patil S. and Kumar, Ashish and Aarthy, Thiagarayaselvam and Mulani, Fayaj A. and Bhagyashree, Date D. and Shilpashree, H. B. and Jennifer, Cheruvathur and Ponnusamy, Sudha and Nagegowda, Dinesh and Thulasiram, Hirekodathakallu V.} } @article {47033, title = {Limonoid biosynthesis 3: functional characterization of crucial genes involved in neem limonoid biosynthesis}, journal = {Phytochemistry}, volume = {184}, year = {2021}, month = {APR}, pages = {112669}, type = {Article}, abstract = {

Neem (Azadirachta indica L.) is well known for its medicinal, agricultural, and pesticidal applications since ages. The secondary metabolites, limonoids, confer these biological properties, wherein over 150 different limonoids have been reported from neem. To understand limonoid biosynthesis, we analyzed tissue-specific (kernel, pericarp, leaves, and flower) transcriptome that resulted in the identification of one farnesyl diphosphate synthase (AiFDS), one squalene synthase (AiSQS), three squalene epoxidases (AiSQE1, AiSQE2, and AiSQE3), two triterpene synthases (AiTTS1 and AiTTS2), cycloartenol synthase (AiCAS), two cytochrome P450 reductases, and ten cytochrome P450 systems. Comparative tissue-expression analysis indicated that AiFDS, AiSQS, AiSQE3, and AiTTS1 are expressed higher in the kernel than in the other tissues. Heterologously expressed recombinant AiTTS1 produced tirucalla-7,24-dien-3 beta-ol as the sole product. Expression profile data, phylogeny with triterpene synthases from Meliaceae and Rutaceae families, real-time PCR of different tissues, and transient transformation revealed the involvement of tirucalla-7,24-dien-3 beta-ol synthase (AiTTS1) in limonoid biosynthesis. Further, mutagenesis studies of AiTTS1 indicated that Y125 and F260 are probably involved in stabilization of dammarenyl cation. A 2.6-fold increase in production of tirucalla-7,24-dien-3 beta-ol was observed when AiSQE1 was coexpressed with mutant AiTTS1 in a yeast system. Furthermore, we functionally characterized the highly expressed cytochrome P450 reductases and cycloartenol synthase. This study helps in further analysis and identification of genes involved in limonoid biosynthesis in Meliaceae/Rutaceae and their production in a metabolically tractable heterologous system.

}, keywords = {24-dien-3 beta-ol, Azadirachta indica A. Juss., Cytochrome P450 system, Limonoids, Meliaceae, Tirucalla-7, Transcriptome}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.112669}, author = {Pandreka, Avinash and Chaya, Patil S. and Kumar, Ashish and Aarthy, Thiagarayaselvam and Mulani, Fayaj A. and Bhagyashree, Date D. and Shilpashree, H. B. and Jennifer, Cheruvathur and Ponnusamy, Sudha and Nagegowda, Dinesh and Thulasiram, V. Hirekodathakallu} } @article {47034, title = {Loss of a water-mediated network results in reduced agonist affinity in a beta(2)-adrenergic receptor clinical variant}, journal = {Biochimica ET Biophysica Acta-Proteins and Proteomics}, volume = {1869}, year = {2021}, month = {APR}, pages = {140605}, type = {Article}, abstract = {

The beta(2)-adrenergic receptor (beta(2)AR) is a member of the G protein-coupled receptor (GPCR) family that is an important drug target for asthma and COPD. Clinical studies coupled with biochemical data have identified a critical receptor variant, Thr164Ile, to have a reduced response to agonist-based therapy, although the molecular mechanism underlying this seemingly {\textquoteleft}{\textquoteleft}non-deleterious{\textquoteright}{\textquoteright} substitution is not clear. Here, we couple molecular dynamics simulations with network analysis and free-energy calculations to identify the molecular determinants underlying the differential drug response. We are able to identify hydration sites in the transmembrane domain that are essential to maintain the integrity of the binding site but are absent in the variant. The loss of these hydration sites in the variant correlates with perturbations in the intra-protein interaction network and rearrangements in the orthosteric ligand binding site. In conjunction, we observe an altered binding and reduced free energy of a series of agonists, in line with experimental trends. Our work identifies a functional allosteric pathway connected by specific hydration sites in beta(2)AR that has not been reported before and provides insight into water-mediated networks in GPCRs in general. Overall, the work is one of the first step towards developing variant-specific potent and selective agonists.

}, keywords = {beta(2)-Adrenergic receptor, G protein coupled receptor, GPCR, molecular dynamics, Pharmacogenetics, SNP}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2021.140605}, author = {Nikte, V. Siddhanta and Sonar, Krushna and Tandale, Aditi and Joshi, Manali and Sengupta, Durba} } @article {47575, title = {Mechanical and microstructural studies in a polysaccharide-acrylate double network hydrogel}, journal = {Journal of the Mechanical Behavior of Biomedical Materials}, volume = {124}, year = {2021}, month = {DEC}, pages = {104839}, type = {Article}, abstract = {Polymeric hydrogels continue to find a wide range of applications. However, a major drawback of hydrogels is the lack of mechanical strength. In this regard, {\textquoteleft}{\textquoteleft}Double Network Hydrogels{\textquoteright}{\textquoteright} (DN) have shown great promise recently. The toughness in DN hydrogels originates from the synergistic effect of two polymeric networks. In this work, we have synthesized a DN hydrogel consisting of a tightly cross linked carboxymethylcellulose (CMC) as the first network and loosely cross linked poly(hydroxyethylacrylate) (PHEA) as a second network (CMC-PHEADN). The required flexibility in the second network (PHEA) was induced by the presence of a small amount of stearyl methacrylate (SM) as a co-monomer in hydroxyl ethyl acrylate (HEA). The compressive strength of the CMC-PEHA-DN hydrogel was found to be 280 times more than that of CMC-SN hydrogel, and the presence of SM in DN hydrogels showed better recovery after deformation. Cell viability studies showed the biocompatibility of DN hydrogels. The micro-structural analysis of DN xerogels by 3D X-ray Microtomography indicated the presence of oriented pores in size range of 30-40 mu m. To the best of our knowledge, Microtomography was used for the first time to study the DN gels. These hydrogels can be used to develop implants that can withstand prolonged stress and expand the life span of implants.}, keywords = {Carboxymethyl cellulose, Double network hydrogels, Poly(hydroxyethyl acrylate), Poly(hydroxyethyl-co-stearyl methacrylate)}, issn = {1751-6161}, doi = {10.1016/j.jmbbm.2021.104839}, author = {Torris, Arun and Nair, Sanoop and Mol, K. P. Raji and Sengupta, Poulomi and Badiger, Manohar} } @article {47337, title = {Micro-computed tomographic analysis of the marginal adaptation of a calcium silicate-based cement to radicular dentin after removal of three different intracanal medicaments - an in vitro study}, journal = {Journal of Conservative Dentistry}, volume = {23}, year = {2021}, month = {FEB}, pages = {598-603}, type = {Article}, abstract = {

Context:\ This study focuses on the marginal adaptation of a calcium silicate-based cement to the root dentin after retrieval of different intracanal medicaments.

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

Materials and methods:\ Forty single-rooted premolar teeth (n\ = 40) were decoronated 13 mm above the root apices; then, 3 mm of the root tips were resected to standardize the root length. Orthograde cleaning and shaping were done using the rotary files and apical enlargement using peeso reamers. Depending on the intracanal medicament used, the samples were equally divided into four groups: Group 1 - control, Group 2 - Metapex, Group 3 - triple antibiotic paste (TAP), and Group 4 - calcium hydroxide with Propolis. Subsequently, the medicament was removed and a 3 mm apical barrier of BiodentineTM\ was placed and later scanned using an ex vivo micro-computed tomography scanner.

}, doi = {10.4103/JCD.JCD_561_20}, author = {Jain, Ruchika Nirmal and Abraham, Sathish and Karad, Rohini Ramesh and Najan, Harshal Balasaheb and Vaswani, Sneha Dhruvkumar and Torris, Arun} } @article {47776, title = {Neem derivatives inhibits tau aggregation}, journal = {Journal of Alzheimer s Disease Reports}, volume = {3}, year = {2021}, month = {JAN}, pages = {169-178}, type = {Article}, abstract = {Tau is a phosphoprotein with natively unfolded conformation that functions to stabilize microtubules in axons. Alzheimer{\textquoteright}s disease pathology triggers several modifications in tau, which causes it to lose its affinity towards microtubule, thus, leading to microtubule disassembly and loss of axonal integrity. This elicit accumulation of tau as paired helical filaments is followed by stable neurofibrillary tangles formation. A large number of small molecules have been isolated from Azadirachta indica with varied medicinal applications. The intermediate and final limonoids, nimbin and salannin respectively, isolated from Azadirachta indica, were screened against tau aggregation. ThS and ANS fluorescence assay showed the role of intermediate and final limonoids in preventing heparin induced cross-β sheet formation and also decreased hydrophobicity, which are characteristic nature of tau aggregation. Transmission electron microscopy studies revealed that limonoids restricted the aggregation of tau to fibrils; in turn, limonoids led to the formation of short and fragile aggregates. Both the limonoids were non-toxic to HEK293T cells thus, substantiating limonoids as a potential lead in overcoming Alzheimer{\textquoteright}s disease.}, doi = {10.3233/ADR-190118}, author = {Nalini, Gorantla Vijay and Das, Rashmi and Mulani, Fayaj Alam and Thulasiram, Hirekodathakallu V. and Chinnathambi, Subashchandrabose} } @article {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 {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 {47461, title = {Oxidative stress induced by piperine leads to apoptosis in Candida albicans}, journal = {Medical Mycology}, volume = {59}, year = {2021}, month = {APR}, pages = {366-378}, type = {Article}, abstract = {

Candida albicans is a member of pathogens with potential drug resistance threat that needs novel chemotherapeutic strategies. Considering the multifarious biological activities including bioenhancer activity, anti-Candida potential of piperine was evaluated against planktonic/biofilm and hyphal growth of C. albicans alone or in combination as a synergistic agent with fluconazole. Piperine inhibits planktonic growth at or less than 15 mu g/ml, hyphae induction at 5 mu g/ml concentration, and exhibits stage-dependent activity against biofilm growth of a fluconazole-resistant strain of C. albicans (ATCC10231). Though piperine couldn{\textquoteright}t kill inoculum completely at minimum inhibitory concentration (MIC), it is fungicidal at higher concentrations, as shown in apoptosis assay. FIC index values indicate that piperine exhibits excellent synergistic activity with fluconazole against planktonic (0.123) and biofilm (0.215) growth of an FLC resistant strain. Mode of anti-Candida activity was studied by identifying piperine responsive proteins wherein the abundance of 25 proteins involved in stress response, signal transduction and cell cycle were modulated (22 up and 3 downregulated) significantly in response to piperine (MIC50). Modulation of the proteins involved suggests that piperine affectsmembrane integrity leading to oxidative stress followed by cell cycle arrest and apoptosis in C. albicans. Flow cytometry-basedmitochondrialmembrane potential (MMP), cell cycle and apoptosis assay, as well as real-time quantitative polymerase chain reaction analysis of selected genes, confirms piperine induced oxidative stress (TRR1), cell cycle arrest and apoptosis (CaMCA1). Based on our results, we conclude that piperine inhibits planktonic and difficult-to treat-biofilm growth of C. albicans by affecting membrane integrity thereby inducing oxidative stress and apoptosis. Lay Abstract Piperine inhibit Candida albicans growth (planktonic and biofilm) significantly in our study. Piperine exhibits excellent synergistic potential with fluconazole The proteome analysis suggests that piperine induced membrane damage leads to oxidative stress followed by cell cycle arrest and apoptosis.

}, keywords = {Apoptosis, C. albicans, drug resistance, piperine, proteomics, synergy}, issn = {1369-3786}, doi = {10.1093/mmy/myaa058}, author = {Thakre, Archana and Jadhav, Vyankatesh and Kazi, Rubina and Shelar, Amruta and Patil, Rajendra and Kharat, Kiran and Zore, Gajanan and Karuppayil, S. Mohan} } @article {46596, title = {Partially bio-based furyl-functionalized organosoluble poly(ether ether ketone)s}, journal = {Polymer International}, volume = {70}, year = {2021}, month = {AUG}, type = {Article}, abstract = {

A new series of partially bio-based (co)poly(ether ether ketone)s bearing pendent furyl groups was synthesized by nucleophilic aromatic substitution polycondensation of varying molar proportions of 4,4 {\textquoteleft}-(furan-2-ylmethylene)bis(2-methoxyphenol) and bisphenol-A with 4,4 {\textquoteleft}-difluorobenzophenone. The chemical structures, compositions and random nature of (co)poly(ether ether ketone)s were confirmed by NMR spectroscopy. Inherent viscosities and number-average molecular weights of the (co)poly(ether ether ketone)s were in the range 0.74-2.90 dL g(-1) and 33 500-46 300 g mol(-1), respectively, indicating the formation of reasonably high molecular weight polymers. (Co)poly(ether ether ketone)s were readily soluble in common organic solvents and could be cast into tough, transparent and flexible films from chloroform solutions. (Co)poly(ether ether ketone)s exhibited 10\% weight loss and glass transition temperatures in the range 429-464 and 152-156 degrees C, respectively. A representative copoly(ether ether ketone) was crosslinked with 1,1 {\textquoteleft}-(methylenedi-1,4-phenylene)bismaleimide via Diels-Alder reaction to form a crosslinked polymer which showed improved mechanical properties and was recycled twice without significant loss of mechanical properties. Diels-Alder/retro Diels-Alder reaction was demonstrated by studies of sol-gel transformation, solubility tests, DSC and stress-strain measurements. (c) 2020 Society of Chemical Industry

}, keywords = {aromatic poly(ether ether ketone)s, bio-based, crosslinking, Diels-Alder reaction, pendent furyl groups}, issn = {0959-8103}, doi = {10.1002/pi.6160}, author = {Kuhire, Sachin S. and Talanikar, Aniket A. and Tawade, V, Bhausaheb and Nagane, Samadhan S. and Wadgaonkar, Prakash P.} } @article {47038, title = {Phosphorus ligands in hydroformylation and hydrogenation: a personal account}, journal = {Chemical Record}, year = {2021}, month = {MAR}, type = {Article; Early Access}, abstract = {

Metal-catalyzed hydroformylation and hydrogenation heavily rely on ligands, among which phosphorous ligands play a pivotal role. This personal account presents a selection of three distinct classes of phosphorous ligands, namely, monodentate meta-substituted phosphinites, bis-phosphites, and P-chiral supramolecular phosphines, developed in our group. The synthesis of these ligands, isolation, characterization, and their performance in transition metal-catalyzed hydroformylation, isomerizing hydroformylation, and asymmetric hydrogenation of olefins is summarized. The state of the art development in iron-catalyzed hydroformylation of alkenes and our contributions to the field is discussed. Use of phosphines enabled iron-catalyzed hydroformylation of alkenes under mild conditions. Thus, this account demonstrates the central role of phosphorus ligands in industrially relevant transformations such as hydrogenation and hydroformylation. The seemingly matured field of ligand discovery still holds significant potential and will steer the field of homogeneous catalysis.

}, keywords = {Homogeneous catalysis, Hydroformylation, Hydrogenation, Olefins, Phosphorus ligands}, issn = {1527-8999}, doi = {10.1002/tcr.202100007, Early Access Date = MAR 2021}, author = {Tewari, Tanuja and Kumar, Rohit and Chandanshive, Amol C. and Chikkali, Samir H.} } @article {47061, title = {Photoactivatable prodrug for simultaneous release of mertansine and CO along with a BODIPY derivative as a luminescent marker in mitochondria: a proof of concept for NIR image-guided cancer therapy}, journal = {Chemical Science}, volume = {12}, year = {2021}, month = {FEB}, pages = {2667-2673}, type = {Article}, abstract = {

Controlled and efficient activation is the crucial aspect of designing an effective prodrug. Herein we demonstrate a proof of concept for a light activatable prodrug with desired organelle specificity. Mertansine, a benzoansamacrolide, is an efficient microtubule-targeting compound that binds at or near the vinblastine-binding site in the mitochondrial region to induce mitotic arrest and cell death through apoptosis. Despite its efficacy even in the nanomolar level, this has failed in stage 2 of human clinical trials owing to the lack of drug specificity and the deleterious systemic toxicity. To get around this problem, a recent trend is to develop an antibody-conjugatable maytansinoid with improved tumor/organelle-specificity and lesser systematic toxicity. Endogenous CO is recognized as a regulator of cellular function and for its obligatory role in cell apoptosis. CO blocks the proliferation of cancer cells and effector T cells, and the primary target is reported to be the mitochondria. We report herein a new mitochondria-specific prodrug conjugate (Pro-DC) that undergoes a photocleavage reaction on irradiation with a 400 nm source (1.0 mW cm(-2)) to induce a simultaneous release of the therapeutic components mertansine and CO along with a BODIPY derivative (BODIPY(PPH3)(2)) as a luminescent marker in the mitochondrial matrix. The efficacy of the process is demonstrated using MCF-7 cells and could effectively be visualized by probing the intracellular luminescence of BODIPY(PPH3)(2). This provides a proof-of-concept for designing a prodrug for image-guided combination therapy for mainstream treatment of cancer.

}, issn = {2041-6520}, doi = {10.1039/d0sc06270g}, author = {Tiwari, Rajeshwari and Shinde, Prashant S. and Sreedharan, Sreejesh and Dey, Anik Kumar and Vallis, Katherine A. and Mhaske, Santosh B. and Pramanik, Sumit kumar and Das, Amitava} } @article {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 {47360, title = {Process-induced microstructure in viscose and lyocell regenerated cellulose fibers revealed by SAXS and SEM of acid-etched samples}, journal = {ACS Applied Polymer Materials}, volume = {3}, year = {2021}, month = {MAY }, pages = {2598-2607}, type = {Article}, abstract = {

Regenerated cellulose fibers represent an important class of bioderived commercial fibers. The traditional viscose process requires the use of environmentally harmful carbon disulfide solvent to produce fibers. Lyocell fibers, produced using a more sustainable recent process, exhibit differences in properties from viscose. These differences arise from their semicrystalline microstructure, formed during fiber spinning. It is widely believed that regenerated cellulose fibers predominantly form fringed fibrillar crystals. We optimize acid etching, followed by SEM as an experimental tool to visualize this fibrillar structure. Acid etching provides sufficient topological contrast to directly visualize similar to O(10 nm) fibrils using field-emission scanning electron microscopy (SEM). We combine SEM with small-angle X-ray scattering (SAXS) to reveal other microstructural details. We observe a Bragg peak, indicating the coexistence of stacked lamellar structure with crystalline fibrils for viscose fibers, but not for lyocell. Viscose and lyocell fibers are characterized by partially oriented semicrystalline microstructure. We present a methodology to calculate the Lorentz correction for such microstructure and employ this to analyze the lamellar scattering from viscose fibers using a 1D correlation function approach. We characterize the lamellar microstructure after swelling viscose fibers with water and observe expansion of the Bragg spacing due to water absorption in the amorphous regions. Our data suggest that the water-induced plasticization of amorphous regions is inhomogeneous. Lamellar stacks that are more misoriented from the fiber direction exhibit lower swelling than those along the fiber direction. The experimental methods described in this work reveal interesting details of semicrystalline microstructure in regenerated cellulose fibers, with important implications for the mechanical response of dry and wet fibers. The methods developed here might find use in investigations of other polymer fibers as well.

}, keywords = {acid etching, crystalline lamellae, fibers, fibrils, Lorentz correction, Regenerated cellulose, SAXS}, issn = {2637-6105}, doi = {10.1021/acsapm.1c00204}, author = {Sharma, Aakash and Wankhede, Parnashri and Samant, Roopali and Nagarkar, Shailesh and Thakre, Shirish and Kumaraswamy, Guruswamy} } @article {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 {47050, title = {Protriptyline improves spatial memory and reduces oxidative damage by regulating NF kappa B-BDNF/CREB signaling axis in streptozotocin-induced rat model of Alzheimer{\textquoteright}s disease}, journal = {Brain Research}, volume = {1754}, year = {2021}, month = {MAR }, pages = {147261}, type = {Article}, abstract = {

Antidepressants are well known to exert their role via upregulation of brain derived neurotrophic factor (BDNF). BDNF has been reported to exerts its neuroprotective effect in rodent and primate models as well as in patients of Alzheimer{\textquoteright}s disease (AD). The aim of our study was to evaluate the effect of protriptyline (PRT), a tricyclic antidepressant, in streptozotocin (STZ)- induced rat model of AD. Total 10 mu l of STZ was injected into each ventricle (1 mg/kg). PRT (10 mg/kg, i.p.) treatment was started 3-day post STZ administration and continued till 21 days. We found that STZ treatment significantly increased pTau, A beta 42 and BACE-1 expression, oxidative stress and neurodegeneration in hippocampus and cortex of adult rats. STZ induced impairment in spatial learning and retention memory was associated with increased WO and reduced CREB and BDNF expression in cortex and hippocampus. Interestingly, PRT treatment significantly reduced pTau, A beta 42 and BACE-1 levels, neurodegeneration, oxidative stress and glial activation, contributing to the improved spatial learning and retention memory in STZ treated rats. Moreover, PRT treatment significantly improved p-ERK/ERK ratio and enhanced BDNF and CREB levels by reducing NFXB and GFAP expression in STZ treated rats. Our data suggest that impaired NFXB and CREB signaling potentially contribute in AD pathogenesis by elevating oxidative stress and neuroinflammation mediated neurodegeneration. Our study has established protriptyline as a multi target molecule in pre-clinical model of AD and further investigations on PRT like molecules could pave way for further development of effective new treatments in neurodegenerative disorders.

}, keywords = {Alzheimer{\textquoteright}s disease, antidepressant, BDNF, Memory, Oxidative stress, Protriptyline}, issn = {0006-8993}, doi = {10.1016/j.brainres.2020.147261}, author = {Tiwari, Virendra and Mishra, Akanksha and Singh, Sonu and Mishra, Sandeep Kumar and Sahu, Kiran Kumari and Parul and Kulkarni, Mahesh J. and Shukla, Rakesh and Shukla, Shubha} } @article {47655, title = {Pyridylpyrrolido ligand in Ge(II) and Sn(II) chemistry: synthesis, reactivity and catalytic application}, journal = {Dalton Transactions}, volume = {50}, year = {2021}, month = {NOV}, pages = {16678-16684}, type = {Article}, abstract = {In our previous communication, we have reported the synthesis of a new chlorogermylene (B) featuring a pyridylpyrrolido ligand. This study details the preparation of a series of new germylenes and stannylenes starting from B. A transmetallation reaction between B and SnCl2 led to the analogous chlorostannylene (1) with the simultaneous elimination of GeCl2. This is a very unusual example of transmetallation between two elements of the same group. The preparation of 1via lithiation led to the formation of 2 as a side product, where the ortho C-H bond of the pyridine ring was activated and functionalized with a Bu-n moiety. Subsequently, B and 1 were used as precursors to generate germylene (4) and stannylene (5) featuring tris(trimethylsilyl)silyl (hypersilyl) moieties. We also prepared tetrafluoropyridyl germylene (6) by reacting 4 with C5F5N with the simultaneous elimination of (Me3Si)(3)SiF by utilizing the fluoride affinity of the silicon atom. As there is scarcity of Sn(II) compounds as single-site catalysts, we investigated 5 as a catalyst towards the hydroboration of aldehydes, ketones, alkenes and alkynes. All the compounds have been characterized by single-crystal X-ray diffraction and by state of the art spectroscopic studies.}, issn = {1477-9226}, doi = {10.1039/d1dt03136h}, author = {Pahar, Sanjukta and Sharma, Vishal and Tothadi, Srinu and Sen, Sakya S.} } @article {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 {47618, title = {Reactivity of (TMS)(2)N(eta(1)-Cp*)Si=Si(eta(1)-Cp*)N(TMS)(2) toward the Halides of Groups 13-15}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {JUN }, pages = {1874-1883}, type = {Article}, abstract = {In this paper, we have demonstrated the unique reactivity of a previously reported disilene [(TMS)(2)N(eta(1)-Me5C5)Si=Si(eta(1)-Me5C5)N(TMS)(2)] (1) with the halides of groups 13-15, which resulted in the formation of silicon-E (E = B, Al, Ge, P) bonds. Treatment of 1 with Lewis acidic BCl3 led to the formation of a cationic boron species [Cp*BSi(Cl)(2)N(TMS)(2))][BCl3SiCl3] (2). In contrast, the reaction of 1 with BCy2Cl afforded an oxidative addition product [(TMS)(2)N(eta(1)-Me5C5)Si(BCy2)(Cl)] (3) via the insertion of a Si(II) atom into the B-Cl bond. Extending the reaction with its higher congener led to classical Lewis acid-base adducts, (TMS)(2)N(eta(1)-Me5C5)Si -> AlCl3 (4) and (TMS)(2)N(eta(1)-Me5C5)Si -> AlBr3 (5), respectively. The reaction of GeCl2 with 1 proceeded in a completely different manner and resulted in a hybrid dendrimeric compound [HGe(Si(Cl)(2)N(TMS)(2))(3)] (6), whereas, with SnCl2, it led to Cp*SnCl (7). Lastly, the reaction of Ph2PCl followed the same pattern like Cy2BCl and led to the formation of an oxidative addition product [(TMS)(2)N(eta(1)-Me5C5)Si(PPh2)(Cl)] (9) with a Si-P bond.}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00203}, author = {Sen, Nilanjana and Parvin, Nasrina and Tothadi, Srinu and Khan, Shabana} } @article {47126, title = {Repurposing the McoTI-II rigid molecular scaffold in to inhibitor of {\textquoteleft}papain superfamily{\textquoteright} cysteine proteases}, journal = {Pharmaceuticals}, volume = {14}, year = {2021}, month = {JAN}, pages = {7}, type = {Article}, abstract = {

Clan C1A or {\textquoteleft}papain superfamily{\textquoteright} cysteine proteases are key players in many important physiological processes and diseases in most living systems. Novel approaches towards the development of their inhibitors can open new avenues in translational medicine. Here, we report a novel design of a re-engineered chimera inhibitor Mco-cysteine protease inhibitor (CPI) to inhibit the activity of C1A cysteine proteases. This was accomplished by grafting the cystatin first hairpin loop conserved motif (QVVAG) onto loop 1 of the ultrastable cyclic peptide scaffold McoTI-II. The recombinantly expressed Mco-CPI protein was able to bind with micromolar affinity to papain and showed remarkable thermostability owing to the formation of multi-disulphide bonds. Using an in silico approach based on homology modelling, protein-protein docking, the calculation of the free-energy of binding, the mechanism of inhibition of Mco-CPI against representative C1A cysteine proteases (papain and cathepsin L) was validated. Furthermore, molecular dynamics simulation of the Mco-CPI-papain complex validated the interaction as stable. To conclude, in this McoTI-II analogue, the specificity had been successfully redirected towards C1A cysteine proteases while retaining the moderate affinity. The outcomes of this study pave the way for further modifications of the Mco-CPI design for realizing its full potential in therapeutics. This study also demonstrates the relevance of ultrastable peptide-based scaffolds for the development of novel inhibitors via grafting.

}, keywords = {Cathepsin, Clan CA cysteine proteases, cyclotide, cystatin, McoTI-II, papain, protein engineering}, doi = {10.3390/ph14010007}, author = {Mishra, Manasi and Singh, Vigyasa and Tellis, Meenakshi B. and Joshi, Rakesh S. and Singh, Shailja} } @article {47782, title = {Resveratrol loaded cubic phase nanoparticles with enhanced oral bioavailability}, journal = {BioNanoScience}, volume = {11}, year = {2021}, month = {DEC}, pages = {1108 - 1118}, type = {Article}, abstract = {Resveratrol (RES), a naturally occurring hydrophobic polyphenolic compound, has shown potential anticancer activity. However, due to low aqueous solubility and extensive first pass metabolism (primarily by cytochrome enzymes), it shows poor oral bioavailability. In the present work, novel RES loaded cubosomes of glycerol monooleate (GMO) and Gelucire 44/14 (GL44) (RES-Cubs) were prepared. RES-Cubs were prepared by emulsion evaporation technique and optimized using 32 factorial design. The optimized RES-Cubs were assessed for particle size, zeta potential, entrapment efficiency, FTIR, TEM, SAXS, in vitro resveratrol release and oral bioavailability. RES-Cubs showed an average particle size of 121.7 {\textpm} 2.54~nm with adequate entrapment efficiency of about 82.0 {\textpm} 2.35\% w/w. The analysis of SAXS profile of RES-Cubs revealed Pn3m crystallographic space group containing diamond cubic phase. In vitro RES release profile of RES-Cubs exhibited markedly sustained release of resveratrol. Furthermore, RES-Cubs demonstrated considerable enhancement in oral bioavailability (ninefold) of resveratrol as compared to RES alone. The developed RES loaded cubosomes bearing cytochrome enzyme inhibitor property can act as promising nanocarrier in the delivery of lipophilic drugs with a drawback of in vivo degradation by cytochrome enzymes.}, isbn = {2191-1649}, doi = {10.1007/s12668-021-00892-9}, url = {https://doi.org/10.1007/s12668-021-00892-9}, author = {Rawat, Neeraj Kumar and Torris, Arun and Bhat, Suresh and Mahadik, Kakasaheb and Patil, Sharvil} } @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 {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 {47659, title = {Stereoselective total synthesis of (+/-)-pleurospiroketals A and B}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {OCT }, pages = {13572-13582}, type = {Article}, abstract = {A full account of our efforts toward the stereoselective total synthesis of sesquiterpenoid-derived natural products (+/-)-pleurospiroketals A and B is described. Commercially available 3-methyl-2-cyclohexenone and 2,2-dimethyloxirane were used as key building blocks, and the substrate-controlled stereoselection was exploited to access the entire stereochemistry of these natural products. Initially, a planned synthetic route involving a [6,5]-bicyclic lactone intermediate was found to be insurmountable, and the later strategy comprising OsO4-NMO-mediated dihydroxylation of 3-methyl-2-cyclohexenone, followed by Luche reduction, Eschenmoser methylenation, and Bronsted acid-induced spiroketalization steps, was ultimately identified as the reliable strategy.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c01634}, author = {Thorat, Sagar S. and Krishna, Gamidi Rama and Kontham, Ravindar} } @article {47363, title = {Strategies for the synthesis of furo-pyranones and their application in the total synthesis of related natural products}, journal = {Organic Chemistry Frontiers}, volume = {8}, year = {2021}, month = {MAY}, pages = {2110-2162}, type = {Review}, abstract = {

The furo-pyranone framework is widely present in the molecular structure of various biologically potent natural products and un-natural small molecules, and it represents a valuable target in synthetic organic chemistry and medicinal chemistry. In the last five decades, numerous innovative synthetic methodologies have been disclosed for these bis-oxacyclic fused heterocycles, expanding the scope of accessible building blocks, efficient and affordable catalysis, facile reaction conditions, and overall practicality of the process. In this comprehensive review article, we focus on showcasing the complete spectrum (from the first report in the 1970s to the latest disclosure in 2020) of efforts devoted towards the synthesis of diverse classes of furo-pyranones through systematization and critical analysis of the accumulated experimental knowledge and their elegant applications in total syntheses of biologically interesting related natural products.

}, issn = {2052-4129}, doi = {10.1039/d0qo01421d}, author = {Thorat, Sagar S. and Kontham, Ravindar} } @article {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 {47603, title = {Sulfonated polyvinyl alcohol ionomer membrane favoring smooth electrodeposition of zinc for aqueous rechargeable zinc metal batteries}, journal = {Sustainable Energy \& Fuels}, volume = {5}, year = {2021}, month = {OCT}, pages = {5557-5564}, type = {Article}, abstract = {One of the failure mechanisms of aqueous rechargeable zinc metal batteries (AZMBs) involves high surface area zinc (HSAZ)/dendrite-like deposits over the Zn-metal anode during long-term cycling. Negatively charged (anionic) polymeric ionomer electrolyte membranes and separators are known for suppressing the dendrite-/HSAZ-induced failure of AZMBs. However, the preparation of cost-effective and non-fluorinated ionomers from cheap and environmentally friendly polymers is essential to leverage the feasibility of AZMBs. The current work demonstrates the potential of an ionomer electrolyte membrane (P-AS-C-Zn) made by the crystallization-induced physical cross-linking of sulfonated poly (vinyl alcohol) (PVS) and poly (vinyl alcohol) (PVA) as a dendrite-/HSAZ-inhibiting separator for AZMBs. The P-AS-C-Zn membranes exhibited excellent Zn plating/stripping behavior with a stable voltage vs. time profile beyond 1100 h, compared to their neutral PVA-C-Zn counterpart without any ionomer character (cell failure at close to 280 h). Applying the optimized P-AS-C-Zn membrane in a MnO2||Zn full cell helps retain about 50\% of the initial capacity close to 600 cycles in the absence of extra manganese salt in the electrolyte, which is indeed promising.}, issn = {2398-4902}, doi = {10.1039/d1se00865j}, author = {Vijayakumar, Vidyanand and Torris, Arun and Kurian, Maria and Mathew, Megha Mary and Ghosh, Meena and Khairnar, Ajay B. and Badiger, Manohar V. and Kurungot, Sreekumar} } @article {47091, title = {Sulfonic acid-functionalized heterogeneous catalytic materials for efficient biodiesel production: a review}, journal = {Journal of Environmental Chemical Engineering}, volume = {9}, year = {2021}, month = {FEB}, pages = {104719}, type = {Review}, abstract = {

The development of social productive forces leads to the increasing consumption of fossil fuels. However, the burning of traditional fossil fuels releases huge amounts of carbon emissions into the atmosphere, resulting in drastically increased global surface temperatures, and hence, global warming and abnormal climate change. Biodiesel, which can be produced by (trans)esterification of bio-oils using solid acid catalysts, is recognized as renewable and clean energy, alternative to fossil-derived diesel, and it can meet society{\textquoteright}s requirements. This review describes the catalytic conversion of bio-derived oils into biodiesel using various sulfonic acid-functionalized heterogeneous catalytic materials that show higher catalytic efficiency and superior recyclability. Besides, various methods of biodiesel preparation and the appropriate design and preparation of robust and efficient catalytic materials for biodiesel production were provided. Finally, the mechanisms of different catalytic esterification and transesterification reactions for biodiesel synthesis, the relevant reaction kinetic models, and techno-economic analysis of biodiesel production were critically discussed in this review.

}, keywords = {(Trans)esterification, Biodiesel, heterogeneous catalysis, kinetic study, solid acid}, doi = {10.1016/j.jece.2020.104719}, author = {Tan, Xiang and Sudarsanam, Putla and Tan, Jinyu and Wang, Anping and Zhang, Heng and Li, Hu and Yang, Song} } @article {47443, title = {Supercapacitive performance of SILAR grown Mn3O4 nanoclusters: effect of cationic precursor concentration}, journal = {Chinese Journal of Physics}, volume = {72}, year = {2021}, month = {AUG}, pages = {145-158}, type = {Article}, abstract = {

Herein, we have investigated the effect of cationic precursor (manganese chloride tetrahydrate) concentration on the electrochemical performance of successive ionic layer adsorption and reaction (SILAR)-deposited Mn3O4\ thin films. The concentration of the cationic precursor was varied from 0.05 to 0.15 M, and its effect on physicochemical and electrochemical properties was studied. X-ray diffraction and X-ray photoelectron spectroscopy analyses confirmed that Mn3O4\ has a tetragonal structure with Mn2+\ and Mn3+\ oxidation states. SEM micrographs revealed that nanoclusters of Mn3O4\ with an average size of ~200 nm were formed. Moreover, transmission electron microscopy analysis revealed that these nanoclusters were formed from tiny square nanoplates with a size of ~40 nm. Electrochemical studies of the synthesized Mn3O4\ thin films were recorded in a three-electrode system, which suggests that 0.1 M cationic precursor concentration has a good electrochemical signature with a specific capacitance of 470 F/g at 1 mA/cm2\ current density in 1 M Na2SO4\ aqueous electrolyte. The cyclic stability offered was appreciable, with capacitive retention of 75\% up to 10,000 CV cycles scanned at 100 mV/s. The charge storage kinetics of the SILAR-grown Mn3O4\ thin film were investigated. With systematic study we concluded that, the molarity of the cationic precursor plays a vital role in the porosity and microstructure which drastically affects the electrochemical performance.

}, doi = {10.1016/j.cjph.2021.03.028}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Patil, D. S. and Sutar, J. R. and Shin, J. C. and Patil, P. S.} } @article {47311, title = {Synergistic effect of B site co-doping with Co and Ce in bifunctional oxygen electrocatalysis by oxygen deficient brownmillerite Ba2In2O5}, journal = {Catalysis Today}, volume = {375}, year = {2021}, month = {SEP}, pages = {494-500}, type = {Article}, abstract = {

Specificity in oxygen reduction and evolution reactions is pivotal in bifunctional catalysts in advanced energy devices which are expected to be active in a wide potential window and stable in both electrochemically reducing and oxidising atmospheres. State of the art noble metal catalysts for these reactions are fraught with issues whereas, metal oxides are expected to be stable in large potential window and can be tuned to have better bifunctional activity. Catalytically active metals, redox centres, oxygen vacancies etc. are some of the features of structured oxides which can be exploited in oxygen electrocatalysis. Brownmillerite family of compounds with general formula, A2B2O5\ has high concentrations of ordered oxygen vacancy in a layer and can be promising bifunctional oxygen electrocatalysts, by appropriate B site doping. Ba2In2O5\ is a well-studied system for its oxide ion conductivity and proximity of active B sites to O vacancies provide good O adsorption sites which are catalytically active. Here, cobalt and cerium are co-doped in Ba2In2O5, anticipating a synergistic effect of Ce(III)/Ce(IV) redox centre in ORR and Co activity in OER along with O vacancies providing adsorption sites. We have studied the structural changes associated with the doping by Rietveld refinement of the XRD patterns and correlated the structure to bifunctional oxygen electrocatalytic activity which is found to enhance on increasing the Co and Ce content.

}, doi = {10.1016/j.cattod.2020.05.046}, author = {Thundiyil, Shibin and Kurungot, Sreekumar and Devi, R. Nandini} } @article {47740, title = {Synergistic electronic coupling/cross-talk between the isolated metal halide units of zero dimensional heterometallic (Sb, Mn) halide hybrid with enhanced emission}, journal = {Journal of Materials Chemistry C}, volume = {10}, year = {2021}, month = {DEC }, pages = {360-370}, type = {Article}, abstract = {Heterometallic 0D metal halide hybrids, consisting of more than one kind of metal halide units, are anticipated to manifest synergistic effects on the photo-physical properties of the constituent metal halide units. Such architectures hold great promise for design and development of function-targeted materials. However, heterometallic 0D hybrids, featuring isolated metal halide units, typically do not show any synergistic effects due to large inter-unit spatial separations that inhibit interactions/coupling between the constituent metal halide units. It remains challenging to design synthetic strategies that would support structural modifications to allow synergistic electronic coupling between the metal halide units in heterometallic 0D hybrids. Here, we report synthesis and characterization of heterometallic (Sb, Mn) 0D hybrid, namely Tris SbMnCl, with isolated MnCl5 units, (Sb/Mn)Cl-6 units, dispersed in the organic ligand matrix and layer of dynamic and networked water molecules. Steady state and time resolved emission spectra (TRES) analysis suggests strong synergistic interaction between the isolated metal halide units. Efficient energy transfer from the strongly absorbing Sb centres to emissive Mn centres results in the observed enhanced emission. Proton conductivity measurements together with first-principles calculations suggest the unique role of the networked water molecules in mediating the electronic coupling/energy transfer between the separated metal halide units in Tris SbMnCl hybrid. This report highlights the role of structure/composition of the synthesized heterometallic 0D hybrid in attaining electronic dimensionality higher than 0D through synergistic electronic interaction between the isolated metal halide units.}, issn = {2050-7526}, doi = {10.1039/d1tc04704c}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Das, Deep K. and Sam, Jisvin and Mali, Bhupendra P. and Biswas, Chinmoy and Maana, Narugopal and Thomson, Stuart and Raavi, Sai Santosh Kumar and Kurungot, Sreekumar and Gonnade, Rajesh G. and Dutta, Sudipta and Kundu, Janardan} } @article {47724, title = {Synthesis and application of silylene-stabilized low-coordinate Ag(I)-arene cationic complexes}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {JUN }, pages = {1626-1632}, type = {Article}, abstract = {We report the first examples of N-heterocyclic silylene-stabilized monocoordinate Ag(I) cationic complexes weakly bound to the free arene rings (C6H6, C6Me6, and C7H8). Further, the application of these electrophilic Ag(I) complexes as catalysts has been investigated toward A(3)-coupling reactions, which afforded a series of propargylamines in good to excellent yields with low catalyst loading under a solvent-free condition (19 examples).}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00083}, author = {Parvin, Nasrina and Sen, Nilanjana and Tothadi, Srinu and Muhammed, Shahila and Parameswaran, Pattiyil and Khan, Shabana} } @article {47723, title = {Synthesis, crystal structures, dielectric and magnetic properties of manganese sulfonyldibenzoates}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {OCT }, pages = {6703-6723}, type = {Article}, abstract = {{A systematic investigation of the system manganese(II) salt-H(2)SBA-auxiliary ligand-solvent successfully led to the isolation of six new multidimensional coordination polymers: [Mn-5(2-pic)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (1), [Mn-3(pyzc)(2)(DMF)(H2O)(SBA)(2)]center dot DMF center dot H2O (2), [Mn-5(pyzc)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (3), [Mn-5(mpyzc)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (4), [Mn-2(phen)(2)(H2O)(SBA)(2)]center dot 2DMA (5) and [Mn-3(phen)(2)(SBA)(3)]center dot 5DMF (6), where SBA = 4,4{\textquoteright}-sulfonyldibenzoate 2-pic = 2-picolinate}, doi = {10.1039/d1ce00810b}, author = {Balendra and Singh, Bharti and Banday, Azeem and Tewari, Shailabh and Kumar, Vineet and Murugavel, Sevi and Joy, P. A. and Ramanan, Arunachalam} } @article {47690, title = {Three in one: triple G-C-T base-coded brahma nucleobase amino acid: synthesis, peptide formation, and structural features}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {NOV }, pages = {15689-15694}, type = {Article}, abstract = {This note reports the synthesis and peptide formation of a novel triple G-C-T nucleobase amino acid (NBA) building block featuring three recognition faces: DDA (G mimic), DAA (C mimic), and ADA (T mimic). Readily obtainable in multigram scale in a remarkably easy one-step reaction, this unique NBA building block offers scope for wide ranging applications for nucleic acid recognition and nucleic acid peptide/protein interaction studies.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c01228}, author = {Wagh, Mahendra A. and Maity, Rahul and Bhosale, Rohit J. and Semwal, Divyam and Tothadi, Srinu and Vaidhyanathan, Ramanathan and Sanjayan, Gangadhar J.} } @article {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 {47592, title = {Tuning the selectivity of CO2 hydrogenation using ceramic hollow fiber catalytic modules}, journal = {Reaction Chemistry \& Engineering}, volume = {6}, year = {2021}, month = {SEP }, pages = {1655-1665}, type = {Article}, abstract = {The unique structural features and advantageous pore distributions of alumina hollow fibers can be exploited to tune the selectivity in heterogeneous catalysis. Formation of a finger-like cavity structure is the unique characteristic of the phase inversion method, which provides a larger surface area to volume ratio desirable for catalytic reactions. This feature, along with a highly porous sandwiched skin layer, makes this architecture superior to conventional powder catalysts or other structured catalyst forms like monoliths. Alumina hollow fibers are prepared by the modified phase inversion method and characterized for their pore size and distribution. Ni metal nanoparticles are uniformly deposited in the Al2O3 hollow fibers to prepare a Ni/Al2O3 catalyst and tested for the CO2 methanation reaction. Suitable reactor and catalyst loading methods are designed and optimized to achieve higher CO2 to methane conversion in a temperature range of 225 to 400 degrees C. The alpha-alumina phase, which is usually reported to be a poor support for Ni in CO2 methanation in the conventional fixed bed configuration, showed high activity when modulated as hollow fibers. Also, the selectivity to CH4 is enhanced and minimal CO formation is observed. The kinetic rate expressions are simulated for the prediction of methane and CO gas evolution at the outlet with temperature. The experimental results for the gas composition are in good agreement with the model predictions. The advantage of such a module reactor is explained based on the mass transfer limitations and consequently the reaction time constants arrived at from the predicted gas compositions.}, issn = {2058-9883}, doi = {10.1039/d1re00076d}, author = {Jogdand, Shunottara M. and Bedadur, Prachiti R. and Torris, Arun and Kharul, Ulhas K. and Naidu, V. Satyam and Devi, R. Nandini} } @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 {47726, title = {Water mediated allosteric network in beta 2AR T164I variant modulates agonist binding affinity}, journal = {European Biophysics Journal with Biophysics Letters}, volume = {50}, year = {2021}, month = {JUL}, pages = {162}, type = {Meeting Abstract}, issn = {0175-7571}, author = {Nikte, Siddhanta V. and Sonar, Krushna and Tandale, Aditi and Sengupta, Durba and Joshi, Manali} } @article {47456, title = {Zinc-air batteries catalyzed using Co3O4 nanorod-supported N-doped entangled graphene for oxygen reduction reaction}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {MAY }, pages = {4570-4580}, type = {Article}, abstract = {

The work reported here deals with the development of an efficient non-platinum electrocatalyst for electrochemical oxygen reduction reaction (ORR) through a sequential pathway involving hydrothermal treatment followed by freeze-drying to build the desired structural architecture of the catalyst. The designed catalyst (Co3O4/nitrogen-doped entangled porous 3D graphene (NEGF)), which contains Co3O4 nanorods anchored on the surface of three-dimensional (3D)-structured N-doped graphene, was found to display higher ORR activity during single-electrode testing and demonstrate a Zn-air battery (ZAB) system. Under the hydrothermal treatment at 180 degrees C, in the presence of ammonia, nitrogen was doped into the carbon framework of graphene, which subsequently formed a self-assembled entangled 3D structure of graphene after freeze-drying. The hydrothermal treatment and freeze-drying processes were found to play vital roles in tuning the morphological and structural features of the catalyst. The doped nitrogen, apart from its favorable contribution toward ORR, helped facilitate efficient dispersion of oxide nanorods on graphene. Co3O4/NEGF displayed remarkable ORR activity in 0.1 M KOH solution, as evident from the 60 mV onset potential shift compared to the state-of-the-art Pt/C catalyst and the Tafel slope value of 74 mV dec(-1) vs 68 mV dec(-1) for Pt/C. The ZAB fabricated by employing Co3O4/NEGF as the cathode catalyst was found to be an efficient competitor for the system based on the Pt/C cathode. This high performance has been credited to the controlled interplay of the governing factors such as the interfacial interactions leading to the efficient dispersion of metal oxide nanorods, increased catalyst surface area, the cooperative effect arising from the defects present in the N-doped porous 3D graphene, and the synergetic interactions operating in the system.

}, keywords = {cobalt-oxide nanorod, freeze-drying, hydrothermal, N-doped entangled graphene, oxygen reduction reaction, zinc-air battery}, issn = {2574-0962}, doi = {10.1021/acsaem.1c00210}, author = {Manna, Narugopal and Singh, Santosh K. and Kharabe, Geeta Pandurang and Torris, Arun and Kurungot, Sreekumar} } @article {48112, title = {3D x-ray microtomography investigations on the bimodal porosity and high sulfur impregnation in 3D carbon foam for Li-S battery application}, journal = {Journal of Physics-Energy}, volume = {4}, year = {2022}, month = {JAN }, pages = {014003}, type = {Article}, abstract = {

Lithium-sulfur (Li-S) batteries, regarded as one of the most promising alternatives to current state-of-the-art rechargeable Li-ion battery technologies, have received tremendous attention as potential candidates for next-generation portable electronics and the rapidly advancing electric vehicle market. However, substantial capacity decay, miserable cycle life, and meagre stability remain critical challenges. More specifically, shuttling of polysulfide (Li2S (x) (3 \< x \<= 8)) species severely hinders the cycle performance resulting in capacity fade and cycling instability. In the present work, a highly conducting three-dimensional (3D) carbon nanofiber (CNF) foam has been synthesized using the lyophilization method followed by thermal pyrolysis. The highly porous foam materials have a bimodal porosity distribution in the nano and micro regime and were successfully investigated to serve as a potential host for sulfur species intended for Li-S battery application. 3D x-ray microtomography was employed to estimate the nature of sulfur impregnation and distribution in the 3D porous networks. On utilizing the final product as cathode material, sulfur impregnated carbonized CNF foam and modified the separator with functionalized multiwalled carbon nanotubes delivered a specific capacity of similar to 845 mAh g(-1) at 100 mA g(-1).

}, keywords = {bimodal porosity, CNF foam, Li-S battery, microtomography}, issn = {2515-7655}, doi = {10.1088/2515-7655/ac4c34}, author = {Thripuranthaka, M. and Chaturvedi, Vikash and Dwivedi, Pravin Kumari and Torris, Arun and Shelke, V. Manjusha} } @article {48353, title = {Addressing challenges in sealing of scalable multifiber module for O-2 enrichment using LSCF membranes}, journal = {International Journal of Applied Ceramic Technology}, volume = {19}, year = {2022}, month = {MAY}, pages = {1561-1571}, type = {Article}, abstract = {

Scalable and multifiber modules in oxygen separation face huge challenges due to difficulty in integrating all the necessary components, especially in sealing the fibers in a gas tight module. Here, we report our findings on design and fabrication of a multifiber La0.6Sr0.4Co0.2Fe0.8O3-delta (LSCF)-based module, which can be scaled up. The focus is on sealing ceramic-metal interfaces by layering of sealants of varying thermal properties. We have also incorporated the use of dead ended fibers to minimize ceramic-metal interfaces in the hot zones and present a new method for dead ending by flame melting. Pressurizing the air inlet feed from either bore side or shell side is detrimental to the structural integrity of the fibers. A thorough characterization of the fresh and spent fibers is also carried out using X-ray tomography and electron microscopy, which indicates effect of temperature and pressure on the fibers.

}, keywords = {Characterization, permeability, Perovskites}, issn = {1546-542X}, doi = {10.1111/ijac.13967}, author = {Jogdand, Shunottara M. and Bedadur, Prachiti R. and Torris, Arun and Agrawal, Ravi and Kharul, Ulhas K. and Devi, R. Nandini} } @article {48174, title = {Air-cathode interface-engineered electrocatalyst for solid-state rechargeable zinc-air batteries}, journal = {ACS Applied Energy Materials}, volume = {5}, year = {2022}, month = {JUL }, pages = {8756-8768}, type = {Article}, abstract = {

Solid-state rechargeable zinc-air batteries (ZABs) are gaining interest as a class of portable clean energy technology due to their advantages such as high theoretical energy density, intrinsic safety, and low cost. It is expected that an appropriately triple-phase boundary (TPB) engineered, bifunctional oxygen reaction (OER and ORR) electrocatalyst at the air- electrode of ZABs can redefine the performance characteristics of these systems. To explore this possibility, an electrode material consisting of manganese- cobalt-based bimetallic spinel oxide (MnCo2O4)-supported nitrogen-doped entangled graphene (MnCo2O4/NEGF) with multiple active sites responsible for facilitating both OER and ORR has been prepared. The porous 3D graphitic support significantly affects the bifunctional oxygen reaction kinetics and helps the system display a remarkable catalytic performance. The air electrode consisting of the MnCo2O4/NEGF catalyst coated over the gas diffusion layer (GDL) ensures the effective TPB, and this feature works in favor of the rechargeable ZAB system under the charging and discharging modes. As an important structural and functional attribute of the electrocatalyst, the porosity and nitrogen doping in the 3D conducting support play a decisive aspect in controlling the surface wettability (hydrophilicity/hydrophobicity) of the air electrode. The fabricated solid-state rechargeable ZAB device with the developed electrode displayed a maximum peak power density of 202 mW cm(-2), which is significantly improved as compared to the one based on the Pt/C + RuO2 standard catalyst pair (124 mW cm(-2)). The solid-state device which displayed an initial charge-discharge voltage gap of only 0.7 V at 10 mA cm(-2) showed only a small increment of 86 mV after 50 h.

}, keywords = {air-cathode interface, bifunctional oxygen catalyst, N-doped entangled graphene, solid-state zinc-air battery, spinel oxides}, issn = {2574-0962}, doi = {10.1021/acsaem.2c01266}, author = {Manna, Narugopal and Singh, Santosh K. and Kurian, Maria and Torris, Arun and Kurungot, Sreekumar} } @article {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 {48152, title = {Comparative study of polycaprolactone electrospun fibers and casting films enriched with carbon and nitrogen sources and their potential use in water bioremediation}, journal = {Membranes}, volume = {12}, year = {2022}, month = {MAR}, pages = {327}, type = {Article}, abstract = {

Augmenting bacterial growth is of great interest to the biotechnological industry. Hence, the effect of poly (caprolactone) fibrous scaffolds to promote the growth of different bacterial strains of biological and industrial interest was evaluated. Furthermore, different types of carbon (glucose, fructose, lactose and galactose) and nitrogen sources (yeast extract, glycine, peptone and urea) were added to the scaffold to determinate their influence in bacterial growth. Bacterial growth was observed by scanning electron microscopy; thermal characteristics were also evaluated; bacterial cell growth was measured by ultraviolet-visible spectrophotometry at 600-nm. Fibers produced have an average diameter between 313 to 766 nm, with 44\% superficial porosity of the scaffolds, a glass transition around similar to 64 degrees C and a critical temperature of similar to 338 degrees C. The fibrous scaffold increased the cell growth of Escherichia coli by 23\% at 72 h, while Pseudomonas aeruginosa and Staphylococcus aureus increased by 36\% and 95\% respectively at 48 h, when compared to the normal growth of their respective bacterial cultures. However, no significant difference in bacterial growth between the scaffolds and the casted films could be observed. Cell growth depended on a combination of several factors: type of bacteria, carbon or nitrogen sources, casted films or 3D scaffolds. Microscopy showed traces of a biofilm formation around 3 h in culture of P. aeruginosa. Water bioremediation studies showed that P. aeruginosa on poly (caprolactone)/Glucose fibers was effective in removing 87\% of chromium in 8 h.

}, keywords = {bacterial growth, carbon source, electrospinning, nitrogen source, poly (caprolactone)}, doi = {10.3390/membranes12030327}, author = {Alejandra Pompa-Monroy, Daniella and Leticia Iglesias, Ana and Gulam Dastager, Syed and Namdeo Thorat, Meghana and Olivas-Sarabia, Amelia and Valdez-Castro, Ricardo and Angelica Hurtado-Ayala, Lilia and Manuel Cornejo-Bravo, Jose and Lizeth Perez-Gonzalez, Graciela and Jesus Villarreal-Gomez, Luis} } @article {47994, title = {Controlled exchange bias behavior of manganese nanoparticles}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {559}, year = {2022}, month = {OCT}, pages = {169504}, type = {Article}, abstract = {

Mn(0) colloids were synthesized by solvated metal atom dispersion approach utilizing hexadecylamine, toluene, and THF as coordinating ligands. Mn-toluene and Mn-THF nanoparticles were found to be highly pyrophoric in nature and demand careful handling whereas, Mn-HDA nanoparticles undergo slow oxidation. TEM micrographs revealed formation of nanoparticles between 3 and 6 nm. Magnetic studies of these three samples displayed shift in the field-cooled M-H hysteresis loop which has been attributed to exchange bias behavior. The exchange bias field, HE measured at 5 K varies with change in coordinating ligands around the Mn center which are 1217 Oe, 4408 Oe and, 6350 Oe for Mn-HDA, Mn-toluene and Mn-THF nanoparticles, respectively. The large exchange bias field has been attributed to the presence of uncompensated antiferromagnetic surface spins and the exchange interactions at the nanoparticle surface due to surface oxidation.

}, keywords = {Antiferromagnetism, exchange bias, Ferromagnetism, Manganese nanoparticles, Uncompensated spins}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2022.169504}, author = {Tiwari, Garima and Vinod, C. Prabhakaran and Jagirdar, Balaji R.} } @article {46642, title = {Cyclic peptide engineered from phytocystatin inhibitory hairpin loop as an effective modulator of falcipains and potent antimalarial}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {40}, year = {2022}, month = {MAY}, pages = {3642-3654}, type = {Article}, abstract = {

Cystatins are classical competitive inhibitors of C1 family cysteine proteases (papain family). Phytocystatin superfamily shares high sequence homology and typical tertiary structure with conserved glutamine-valine-glycine (Q-X-V-X-G) loop blocking the active site of C1 proteases. Here, we develop a cysteine-bounded cyclic peptide (CYS-cIHL) and linear peptide (CYS-IHL), using the conserved inhibitory hairpin loop amino acid sequence. Using an in silico approach based on modeling, protein-peptide docking, molecular dynamics simulations and calculation of free energy of binding, we designed and validated inhibitory peptides against falcipain-2 (FP-2) and -3 (FP-3), cysteine proteases from the malarial parasite Plasmodium falciparum. Falcipains are critical hemoglobinases of P. falciparum that are validated targets for the development of antimalarial therapies. CYS-cIHL was able to bind with micromolar affinity to FP-2 and modulate its binding with its substrate, hemoglobin in in vitro and in vivo assays. CYS-cIHL could effectively block parasite growth and displayed antimalarial activity in culture assays with no cytotoxicity towards human cells. These results indicated that cyclization can substantially increase the peptide affinity to the target. Furthermore, this can be applied as an effective strategy for engineering peptide inhibitory potency against proteases.

}, keywords = {Cyclic peptide, falcipain inhibitors, falciparum, P, Phytocystatin, protein interaction mimics, protein\&\#8211}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1848629}, author = {Mishra, Manasi and Singh, Vigyasa and Tellis, Meenakshi B. and Joshi, Rakesh S. and Pandey, Kailash C. and Singh, Shailja} } @article {47797, title = {Degradation of API pollutants using hydrodynamic cavitation and process intensification}, journal = {Chemical Engineering and Processing - Process Intensification}, volume = {172}, year = {2022}, month = {FEB}, pages = {108799}, type = {Article}, abstract = {Degradation of Naproxen, a common nonsteroidal anti-inflammatory drug as a model compound, has been reported using hydrodynamic cavitation (HC) and process intensification. Two types of cavitating devices, vortex diode that employs vortex flow and a conventional linear flow based device, orifice have been investigated for their effectiveness in degradation. Process intensification was carried out by employing simple aeration and also by addition of oxidising agent, hydrogen peroxide (H2O2). Vortex diode required significantly lower pressure drop (1.5~bar) compared to the orifice (5~bar). A high extent of degradation, 67\%, was possible using the process intensification; representing a very high enhancement, to an extent of more than 200\%, by combining HC+H2O2. The degradation of naproxen progresses via intermediates formation and intermediates also eventually get gradually degraded. The kinetics of degradation was evaluated using per pass degradation model and for the different approaches, confirming higher per-pass degradation in the vortex diode and for the process intensification. The cavitational yield in HC+H2O2+aeration using vortex diode (23.4~{\texttimes}~10-5~mg/J) was \~{} 5 times greater than that for orifice (4.5~{\texttimes}~10-5~mg/J). The present study clearly highlights utility of process intensification approach for the degradation of active pharmaceutical ingredients (API) pollutants for increased efficacy.}, keywords = {Naproxen: Oxidation, Pharmaceutical, pollution, Wastewater treatment}, issn = {0255-2701}, doi = {10.1016/j.cep.2022.108799}, author = {Divya Dixit and Pooja Thanekar and Vinay M. Bhandari} } @article {48224, title = {Design, synthesis of anticancer and anti-inflammatory 4-(1-methyl-1H-indol-3-yl)-6-(methylthio) pyrimidine-5-carbonitriles}, journal = {Synthetic Communications}, volume = {52}, year = {2022}, month = {MAR }, pages = {733-744}, type = {Article}, abstract = {

A novel series of 4-(1-methyl-1H-indol-3-yl)-6-(methylthio) pyrimidine-5-carbonitriles (4a-i) was synthesized and evaluated for anticancer potential against cell lines for breast cancer. Compounds 4b, 4e, and 4h exhibited prominent cytotoxicity against human breast carcinoma MCF-7 cell line with GI(50 )of 2.0, 0.5, and 0.5 mu M, respectively. Molecular docking study against EGFR tyrosine kinase could provide valuable insights into the plausible mechanism of action. The compounds could bind with significantly high binding affinity and their binding affinity scores could correlate well with the observed anticancer activity. Furthermore, compounds 4a, 4c, 4e, 4g, and 4i exhibited significant inflammatory activities as well which could expand the therapeutic domain of this novel series.

}, keywords = {Anti-inflammatory, Anticancer, Antioxidant, Indole, pyrimidine}, issn = {0039-7911}, doi = {10.1080/00397911.2022.2048860}, author = {Bhale, Pravin S. and Chavan, V. Hemant and Shringare, Sadanand N. and Khedkar, Vijay M. and Tigote, Radhakrishna M. and Mali, Nikita N. and Jadhav, Tukaram D. and Kamble, Nitin B. and Kolat, Swati P. and Bandgar, Babasaheb P. and Patil, Harshal S.} } @article {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 {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 {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 {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 {48215, title = {First-row transition metal complexes of a phosphine-silylene- based hybrid ligand}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {AUG}, pages = {13330-13341}, type = {Article}, abstract = {

We have prepared two new silylene-phosphine-based hybrid ligands Si{N(R)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)} [R = TMS {trimethylsilyl} (1) and TBDMS {tert-butyldimethylsilyl} (2)], which possess two donor sites. Furthermore, the treatment of the bidentate ligand 1 with base metal halides {FeBr2, CoBr2, NiCl(2)middotdme [nickel chloride(II) ethylene glycol dimethyl ether]} and 2 with NiBr(2)middotdme [nickel bromide(II) ethylene glycol dimethyl ether] afforded four-coordinate six-membered metal complexes 3-6, respectively, which feature coordination from both Si(II) and P(III) sites. Subsequently, complexes 3 [(FeBr2)Si{N(SiMe3)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)}], 4 [(CoBr2)Si{N(SiMe3)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)}], 5 [(NiCl2)Si{N(SiMe3)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)}], and 6 [(NiBr2)Si{N((SiBuMe2)-Bu-t)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)}] are studied for their redox and magnetic properties with the help of UV-vis spectroscopy, cyclic voltammetry, SQUID magnetometry, and theoretical calculations. Complexes 3-6 were found to display a paramagnetic behavior. All the compounds are well established by single-crystal X-ray diffraction studies.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c01233}, author = {Akhtar, Ruksana and Kaulage, Sandeep H. and Sangole, Mayur P. and Tothadi, Srinu and Parvathy, Parameswaran and Parameswaran, Pattiyil and Singh, Kirandeep and Khan, Shabana} } @article {48366, title = {Formation of the secondary phase domain by multi-cation substitution for the superior electrochemical performance of spinel cathodes for high-voltage li-ion batteries}, journal = {ACS Applied Energy Materials}, volume = {5}, year = {2022}, month = {DEC}, pages = {15345-15355}, type = {Article}, abstract = {

{Disorder-structured spinel oxides are opening frontiers for high-capacity/high-voltage cathodes to meet the challenges of independ-ence on cobalt-containing cathodes toward cheap and sustainable energy storage sources in Li-ion batteries (LIBs). In the present work, a series of Co-free materials: LiMn2-x-y-zNixFeyAlzO4 (x = 0.8-0.5

}, keywords = {5Ni0, cation-doped spinel cathode material, cobalt-free cathode, disorder structured spinel cathode material, high-voltage cathode, li-ion batteries, LiMn1}, issn = {2574-0962}, doi = {10.1021/acsaem.2c02667}, author = {Nayaka, Girish Praveen and Shivamurthy, Bogalera Papaiah and Thripuranthaka, Marulasiddappa and Shelke, V. Manjusha.} } @article {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 {48073, title = {Glycal mediated synthesis of piperidine alkaloids: fagomine, 4-epi-fagomine, 2-deoxynojirimycin, and an advanced intermediate, iminoglycal}, journal = {RSC Advances}, volume = {12}, year = {2022}, month = {NOV}, pages = {33021-33031}, type = {Article}, abstract = {

Glucal and galactal are transformed into 2-deoxyglycolactams, which are important building blocks in the synthesis of biologically active piperidine alkaloids, fagomine and 4-epi-fagomine. In one of the strategies, reduction of 2-deoxyglycolactam-N-Boc carbonyl by lithium triethylborohydride (Super-Hydride (R)) has been exploited to generate lactamol whereas reduction followed by dehydration was utilized as the other strategy to functionalize the C-1-C-2 bond in the iminosugar substrate. The strategies provide the formal synthesis of 2-deoxynojirimycin, nojirimycin and nojirimycin B. DFT studies were carried out to determine the reason for the failure of the formation of the 2-deoxygalactonojirimycin derivative. Further, DFT studies suggest that phenyl moieties of protecting groups and lone pairs of oxygen in carbamate group plays a vital role in deciphering the conformational space of the reaction intermediates and transition-state structures through cation-pi or cation-lone pair interactions. The influence of these interactions is more pronounced at low temperature when the entropy factor is small.

}, doi = {10.1039/d2ra05224e}, author = {Chand, Hemender R. and Tiwari, Mritunjay K. and Bhattacharya, Asish K.} } @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 {48052, title = {Intensified hydrodynamic cavitation using vortex flow based cavitating device for degradation of ciprofloxacin}, journal = {Chemical Engineering Research \& Design}, volume = {187}, year = {2022}, month = {NOV}, pages = {623-632}, type = {Article}, abstract = {

The present work, for the first time, establishes degradation behavior of ciprofloxacin (CIP), a widely used fluoroquinolone group of antibiotics, using vortex flow based hydro-dynamic cavitation (HC) for low to high concentrations of CIP (10 and 100 mg/L). Effect of pressure on the degradation of CIP and TOC reduction was investigated on pilot plant scale (capacity 1 m3/h). Process intensifications using aeration as well as hydrogen per-oxide (H2O2) were also investigated. While aeration did not yield any significant en-hancement, process intensification using H2O2 resulted in similar to 200\% enhancement in the CIP degradation as compared to HC alone. Excellent degradations, to an extent of 79 \& 95\%, were achieved corresponding to high cavitational yields of 7.2 x 10-4 mg/J and 86.8 x 10-4 mg/J for CIP concentrations of 10 and 100 mg/L respectively using the process intensified approach of HC and H2O2, not reported so far for cavitating devices without moving ele-ments. The developed methodology demonstrated 4-7 times improvement in per-pass degradation and low cost with high efficiency compared to the conventional cavitation. The results clearly highlight utility of the process intensified approach using H2O2 for the degradation of CIP even at high concentrations, specifically important for pharmaceutical industries requiring zero liquid discharge norms.(c) 2022 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Antibiotics removal, ciprofloxacin, Degradation, Oxidation, Wastewater treatment}, issn = {0263-8762}, doi = {10.1016/j.cherd.2022.09.027}, author = {Patil, Pravin B. and Thanekar, Pooja and Bhandari, Vinay M.} } @article {48362, title = {Interdigitated flow field impact on mass transport and electrochemical reaction in high-temperature polymer electrolyte fuel cell}, journal = {Journal of Power Sources}, volume = {532}, year = {2022}, month = {JUN }, pages = {231319}, type = {Article}, abstract = {

The enhanced performance of Polybenzimidazole (PBI) based high-temperature polymer electrolyte fuel cell (HT-PEFC) with interdigitated flow field over the other flow fields can be a consequence of higher average pressure developed on the flow field due to dead end in the channels or faster mass transport due to pressuredriven convection in the gas diffusion layer (GDL). In the present study, the effect of average pressure on the flow field and mass transport mechanism in the GDL on the HT-PEFC performance have been systematically decoupled. Three-dimensional simulation validated by experimental studies confirm that the enhanced performance in case of the interdigitated flow field is due to faster mass transport in the GDL and not due to higher average gas pressure. The simulation studies are performed on the interdigitated flow field and compared against the parallel flow field to have an insight into the effect of key operating and geometric parameters. There exists an optimum value for channel to rib ratio and current density saturates after an air stoichiometry of 4 which is validated by experiments.

}, keywords = {HT-PEFC, Interdigitated flow field, Mass transport mechanism, pressure, stoichiometry}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2022.231319}, author = {Agarwal, Harshal and Thosar, Aniket U. and Bhat, Santoshkumar D. and Lele, Ashish K.} } @article {48049, title = {Investigation of domain structures in monomethoxy poly(ethylene glycol)-b-poly(caprolactone) grafted poly(acrylic acid) by NMR diffusion studies}, journal = {Polymer International}, volume = {71}, year = {2022}, month = {AUG}, pages = {976-984}, type = {Article}, abstract = {

Associating polymers developed by grafting a block copolymer of monomethoxy poly(ethylene glycol)-b-poly(caprolactone) (MPEG-b-PCL) onto poly(acrylic acid) undergo an irreversible sol-gel transition on heating. The influence of various physicochemical parameters on the thermoresponsive behaviour was examined by rheology and NMR studies. Pulsed field gradient NMR diffusion studies were performed to probe the mechanism of thermally induced gelation. Analysis of the diffusion data reveals the presence of loosely and strongly associated structures which respond differently to variation in temperature. It is observed that the polymer solution, which is visibly homogeneous, is heterogeneous on a mesoscopic scale with a distribution of domains. Detailed investigation of the thermally induced sol-gel transition shows that the mechanism of gelation involves irreversible alterations in the domain structure and size. (c) 2022 Society of Industrial Chemistry.

}, keywords = {associating polymers, hydrophobically modified polymers, NMR diffusion studies, Rheology, sol-gel transition, thermoresponsive polymers}, issn = {0959-8103}, doi = {10.1002/pi.6380}, author = {Tiwari, Neha and Badiger, Manohar Virupax and Rajamohanan, Pattuparambil Ramanpillai and Ravindranathan, Sapna} } @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 {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 {48202, title = {Mechanistic insight into differential interactions of iron oxide nanoparticles with native, glycated albumin and their effect on erythrocytes parameters}, journal = {International Journal of Biological Macromolecules}, volume = {212}, year = {2022}, month = {JUL }, pages = {232-247}, type = {Article}, abstract = {

Nanoparticles and protein bioconjugates have been studied for multiple biomedical applications. We sought to investigate the interaction and structural modifications of bovine serum albumin (BSA) with iron oxide nanoparticles (IONPs). The IONPs were green synthesized using E. crassipes aqueous leaf extract following characterization using transmission electron microscopy, energy dispersive X-ray analysis and X-ray diffraction. Two different concentrations of native/glycated albumin (0.5 and 1.5 mg/ml) with IONPs were allowed to interact for 1 h at 37 degrees C. Glycation markers, protein modification markers, cellular antioxidant, and hemolysis studies showed structural modifications and conformational changes in albumin due to the presence of IONPs. UV-visible absorbance resulted in hyperchromic and bathochromic effects of IONPs-BSA conjugates. Fluorescence measurements of tyrosine, tryptophan, advanced glycated end products, and ANS binding assay were promising and quenching effects proved IONPs-BSA conjugate formation. In FTIR of BSA-IONPs, transmittance was increased in amide A and B bands while decreased in amide I and II bands. In summary, native PAGE, HPLC, and FTIR analysis displayed a differential behaviour of IONPs with native and glycated BSA. These results provided an understanding of the interaction and structural modifications of glycated and native BSA which may provide fundamental repercussions in future studies.

}, keywords = {Albumin, Glycation, iron oxide nanoparticles}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2022.05.106}, author = {Nisar, Akib and Ajabia, Devangi K. and Agrawal, Sanskruthi B. and Varma, Sanjana and Chaudhari, Bhushan P. and Tupe, Rashmi S.} } @article {48394, title = {Mechanistic modeling of continuous capture step purification of biosimilar monoclonal antibody therapeutic}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {97}, year = {2022}, month = {SEP}, pages = {2404-2419}, type = {Article}, abstract = {

{BACKGROUND Continuous multicolumn Protein A chromatography offers various advantages for capture stage purification of monoclonal antibody therapeutics, like higher productivity and resin capacity utilization, lower buffer consumption, small footprint, etc. Due to the complexity of the continuous process, experimental optimization is time-consuming and cost-intensive. This investigation proposes a hybrid process development approach integrating experimental and mechanistic modeling for time- and cost-effective development and optimization of continuous Protein A affinity chromatography. RESULTS Productivity and capacity utilization of the continuous CaptureSMB process under varying operating conditions were predicted using the Chromatography Analysis and Design Toolkit (CADET) framework and validated with experimental results. Effects of critical process parameters like feed concentration (c(0)), loading breakthrough (s) and residence time (RT) on productivity and capacity utilization were evaluated. Model predictions were validated using the experimental results proving the reliability and feasibility of the modeling approach. At 15.00 +/- 0.20 mg mL(-1) feed model mAb concentration, the model-based approach predicted the best performance giving 27.56 g L-1 h(-1) productivity (RT = 2 min

}, keywords = {CaptureSMB, continuous chromatography, Mathematical modeling, Protein A, simulation}, issn = {0268-2575}, doi = {10.1002/jctb.6922}, author = {Deulgaonkar, Prashant and Bhambure, Rahul and Prasad, Bhaskarjyoti and Mishra, Ashok and Tiwari, Sanjay and Mody, Rustom} } @article {48034, title = {Metal-free approach towards efficient synthesis of FDCA using a p-toluene sulfonic acid (p-TSA)-derived heterogeneous solid acid catalyst and oxone over two steps from HMF, fructose and glucose}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {MAY}, pages = {10272-10279}, type = {Article}, abstract = {

In this work, a metal-free approach towards the synthesis of 2,5-furandicarboxylic acid (FDCA) from 5-hydroxymethylfurfural (HMF), fructose and glucose is reported over two steps using a p-toluene sulfonic acid (p-TSA)-derived heterogeneous solid acid catalyst (p-TSA-POM) in the first step and oxone as an oxidant in the second step. HMF, fructose and glucose were converted to 2,5-diformylfuran (DFF) using the p-TSA-POM catalyst followed by oxidation of DFF to FDCA using oxone. To the best of our knowledge, this is the first metal-free approach for the synthesis of FDCA directly from glucose. DFF was obtained from HMF in 91\% yield, whereas it was obtained in 85\% and 61\% yields from fructose \& glucose, respectively. DFF was further converted to FDCA using oxone as an oxidant. FDCA was obtained in an overall yield of 84\%, 78\% and 56\% from HMF, fructose \& glucose, respectively.

}, issn = {1144-0546}, doi = {10.1039/d2nj01207c}, author = {Tamboli, Asma T. Biradar and Kirdant, Swapnali P. and Jadhav, Vrushali H.} } @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 {47391, title = {Molecular phylogeny, structure modeling and in silico screening of putative inhibitors of aerolysin of Aeromonas hydrophila EUS112}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {40}, year = {2022}, month = {JUN}, type = {Article}, abstract = {

Aeromonas hydrophila, a Gram-negative bacterium, causes diseases in fish, resulting in excessive loss to the aquaculture industry. Aeromonas is a highly heterogeneous group of bacteria, and the heterogeneity of the genus is attributed to variation and diversity in the virulence factors and toxins among various Aeromonas strains. One of the major toxins aerolysin, secreted by the bacterium, causes hemorrhagic-septicemia and diarrhea and can serve as a drug target. Here, we describe characterization, molecular phylogeny, and homology modeling of the aerolysin of A. hydrophila strain EUS112 (Ah(EUS112)) cloned in our lab. The encoded aerolysin is 485 amino acids long with an N-terminal signal sequence of 23 amino acids. Phylogenetic analysis of the aerolysin of Ah(EUS112) revealed that it belongs to a diverse group of toxins, showing maximum similarity with aerolysins of other Aeromonas strains followed by Vibrio toxin. The homology model of the mature aerolysin of Ah(EUS112) was generated using the crystal structure of a mutant aerolysin (PDB\#3g4n) as the template, which showed that the encoded aerolysin exists as a channel protein. Validation of the generated model using bioinformatics tool confirmed it to be a good quality model that can be used for drug design. Molecular dock analysis revealed that drugs, aralia-saponin I, cyclamin, ardisiacrispin B, and aralia-saponin II bind to aerolysin with a higher affinity as compared to other drugs and at functionally important amino acids of aerolysin. Hence, these molecules can act as an effective therapeutics for inhibiting the aerolysin pore formation and curtail the severity of Aeromonas infection. Communicated by Ramaswamy H. Sarma

}, keywords = {Aerolysin, homology modeling, Molecular docking, Molecular dynamic simulation, phylogenetic tree}, issn = {0739-1102}, doi = {10.1080/07391102.2021.1918254, Early Access Date = APR 2021}, author = {Yadav, Sunita Kumari and Panwar, Deepak and Singh, Ankita and Tellis, Meenakshi B. and Joshi, Rakesh Shamsunder and Dixit, Aparna} } @article {47813, title = {Na-montmorillonite to Fe(II)-Mt using ferrous citrate/ascorbate obtained by dissolving iron powder}, journal = {Applied Clay Science}, volume = {217}, year = {2022}, month = {FEB}, pages = {106396}, type = {Article}, abstract = {Bentonite containing montmorillonite (Mt) as the major clay mineral is the potential buffer material of engineered barrier system in the deep geological repository for high-level waste management. The corrosion products of canister/or overpack material (carbon steel) may alter the basic characteristics of bentonite through Fe/clay interaction and formation of FeMt to certain extent. A convenient method is required for quantitative preparation of Fe(II)-Mt because the only few direct methods reported have some limitations. For this, weak ferrous complexes having good solubility to facilitate the cation-exchange with bentonite is essential. Therefore, Fe(II)-citrate, Fe(II)-ascorbate and Fe(II)-citrate/ascorbate were obtained here by dissolving the iron powder (Fe0) in citric acid (CA), ascorbic acid (AA) and their equimolar mixtures from 25~mM to 300~mM at 70~{\textdegree}C under N2 atmosphere. The redox potential was measured to monitor the dissolution of Fe0 in these mild organic acids. Higher dissolution of Fe0 occurred in CA~+~AA mixture. The dissolved iron in the form of ferrous complex was reasonably stable in inert atmosphere, Fe2+/Fetotal~≈~1. The parent clay mineral (bentonite, NaMt) was treated with Fe(II)~-~cit/asc to form Fe(II)~-~Mt. through cation exchange process. The CEC and ferrous to ferric ratio of the Fe(II)-Mt was close to the stoichiometric amount. The XRF, XRD, ac impedance, FT-IR, TGA/DSC, XPS and FE-SEM are used for further characterization. In-situ complexation reaction of interlayer Fe2+ ions in Fe(II)-Mt with o-phenanthroline was also observed.}, keywords = {Ascorbic acid, Bentonite, Citric acid, Cr(VI) reduction, Fe(II)-montmorillonite, Iron dissolution}, issn = {0169-1317}, doi = {10.1016/j.clay.2021.106396}, author = {S. Chikkamath and J. Manjanna and N. Momin and B.G. Hegde and G.P. Nayaka and Aishwarya S. Kar and B.S. Tomar} } @article {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 {47814, title = {Novel pharmaceutical cocrystal of apalutamide, a nonsteroidal antiandrogen drug: synthesis, crystal structure, dissolution, stress, and excipient compatibility}, journal = {Crystal Growth \& Design}, volume = {22}, year = {2022}, month = {JAN}, pages = {1130-1142}, abstract = {Apalutamide (APA), a second-generation nonsteroidal antiandrogen BCS Class II drug with poor solubility and high permeability. A novel 1:1 cocrystal of Apalutamide (APA) with methylparaben (MP) was identified by cooling crystallization during the cocrystal screening and characterized by various solid-state techniques, such as PXRD, DSC, TGA, FT-IR, and 13C solid-state CP-MAS NMR spectroscopy. The crystal structures of APA and its cocrystal (APA-MP) were determined by the SC-XRD technique. The crystal structure analysis of the APA-MP cocrystal revealed that the APA and MP molecules are connected through strong O{\textendash}H{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}O hydrogen bonds. The novel cocrystal improves the solubility and dissolution rate in different physiological conditions compared to poorly soluble APA due to strong hydrogen bond between the drug and the coformer. The cocrystal is stable (physically and chemically) under stress conditions, such as exposure to the relative humidity, mechanical grinding, open exposure to atmosphere at cRT (critical room temperature) and compression pressure of 10 tons. In addition, the compatibility of the cocrystal with excipients used in the drug product of APA (ERLEADA) was also investigated, and no disproportionation of cocrystal was observed.}, doi = {10.1021/acs.cgd.1c01087}, author = {Saladi, Venkata Narasayya and Kammari, Bal Raju and Mandad, Pratap Reddy and Krishna, Gamidi Rama and Sajja, Eswaraiah and Thirumali, Rajan S. and Marutapilli, Arthanareeswari and Mathad, Vijayavitthal T.} } @article {48142, title = {Nucleophilic substitution at a coordinatively saturated five-membered NHC center dot haloborane centre}, journal = {Inorganics}, volume = {10}, year = {2022}, month = {JUL}, pages = {97}, type = {Article}, abstract = {

In this paper, we have used a saturated five-membered N-Heterocyclic carbene (5SIDipp = 1,3-bis-(2,6-diisopropylphenyl)imidazolin-2-ylidine) for the synthesis of SNHC-haloboranes adducts and their further nucleophilic substitutions to put unusual functional groups at the central boron atom. The reaction of 5-SIDipp with RBCl2 yields Lewis-base adducts, 5-SIDipp center dot RBCl2 [R = H (1), Ph (2)]. The hydrolysis of 1 gives the NHC stabilized boric acid, 5-SIDipp center dot B(OH)(3) (3), selectively. Replacement of chlorine atoms from 1 and 2 with one equivalent of AgOTf led to the formation of 5-SIDipp center dot HBCl(OTf) (4) and 5-SIDipp center dot PhBCl(OTf) (5a), where all the substituents on the boron atoms are different. The addition of two equivalents of AgNO3 to 2 leads to the formation of rare di-nitro substituted 5-SIDipp center dot BPh(NO3)(2) (6). Further, the reaction of 5-SIDipp with B(C6F5)(3) in tetrahydrofuran and diethyl ether shows a frustrated Lewis pair type small molecule activated products, 7 and 8.

}, keywords = {NHC-haloboranes, nucleophilic substitution, saturated NHC, tetra-coordinate boron}, doi = {10.3390/inorganics10070097}, author = {Kundu, Gargi and Tothadi, Srinu and Sen, Sakya S.} } @article {48145, title = {Pendant propargyloxy-functionalized aromatic (co)polycarbonates: synthesis, thermal crosslinking and chemical modification}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {59}, year = {2022}, month = {NOV}, pages = {752-763}, type = {Article}, abstract = {

A bisphenol monomer bearing pendant propargyloxy group viz, 1, 1-bis (4-hydoxyphenyl)-1-(4 {\textquoteleft}-propargyloxyphenyl) ethane (BPP) was synthesized starting from commercially available 1, 1, 1-tris (4-hydroxyphenyl) ethane (THPE) by mono O-propargylation reaction using propargyl bromide. A new series of pendant propargyloxy-functionalized aromatic (co)polycarbonates was synthesized by low-temperature solution polycondensation of BPP or different molar ratios of BPP and bisphenol-A with triphosgene in dichloromethane in the presence of triethylamine. The formation of reasonably high molecular weight (co)polycarbonates was confirmed by inherent viscosity (0.52-0.83 dL/g) and gel permeation chromatography (M-n 37,000-69,800 g/mol, polystyrene standards) measurements. C-13 NMR spectral studies supported formation of random copolycarbonates in copolymerization of BPP and BPA with triphosgene. The 10\% weight loss temperature (T-10) values of (co)polycarbonates, determined by thermogravimetric analysis under nitrogen atmosphere, were in the range 427-438 degrees C indicating their good thermal stability. The glass transition temperature (T-g) values of (co)polycarbonates were observed in the range 147-152 degrees C. The crosslinking ability of (co)polycarbonates involving pendant propargyloxy groups leading to formation of networked structure was evaluated via non-isothermal curing studies by DSC. As a proof-of-concept, the post-modification of a representative polycarbonate bearing pendant propargyloxy groups with 1-octane thiol as a model compound via thiol-yne click reaction was briefly studied.

}, keywords = {Aromatic polycarbonate, Chemical modification, propargyloxy groups, thermal crosslinking, thiol-yne click reaction}, issn = {1060-1325}, doi = {10.1080/10601325.2022.2117055}, author = {Nagane, Samadhan S. and Maher, Deepak M. and Verma, Savita and Talanikar, Aniket A. and Wadgaonkar, Prakash P.} } @article {48209, title = {Porous covalent organic nanotubes and their assembly in loops and toroids}, journal = {Nature Chemistry}, volume = {14}, year = {2022}, month = {MAY}, pages = {507+}, type = {Article}, abstract = {

Carbon nanotubes, and synthetic organic nanotubes more generally, have in recent decades been widely explored for application in electronic devices, energy storage, catalysis and biosensors. Despite noteworthy progress made in the synthesis of nanotubular architectures with well-defined lengths and diameters, purely covalently bonded organic nanotubes have remained somewhat challenging to prepare. Here we report the synthesis of covalently bonded porous organic nanotubes (CONTs) by Schiff base reaction between a tetratopic amine-functionalized triptycene and a linear dialdehyde. The spatial orientation of the functional groups promotes the growth of the framework in one dimension, and the strong covalent bonds between carbon, nitrogen and oxygen impart the resulting CONTs with high thermal and chemical stability. Upon ultrasonication, the CONTs form intertwined structures that go on to coil and form toroidal superstructures. Computational studies give some insight into the effect of the solvent in this assembly process.

}, issn = {1755-4330}, doi = {10.1038/s41557-022-00908-1}, author = {Koner, Kalipada and Karak, Shayan and Kandambeth, Sharath and Karak, Suvendu and Thomas, Neethu and Leanza, Luigi and Perego, Claudio and Pesce, Luca and Capelli, Riccardo and Moun, Monika and Bhakar, Monika and Ajithkumar, Thalasseril G. and Pavan, Giovanni M. and Banerjee, Rahul} } @article {48402, title = {Post-polymerization modifiable aromatic (co)poly(ether sulfone)s possessing pendant norbornenyl groups based upon a new bisphenol}, journal = {European Polymer Journal}, volume = {176}, year = {2022}, month = {AUG }, pages = {111431}, type = {Article}, abstract = {

A new bisphenol possessing pendant norbornenyl group viz., 4, 4 {\textquoteleft}-(bicyclo (2.2.1) hept-5-en-2 yl methylene) bis (2-methoxyphenol) (BPA-NB) was synthesized by a single-step base-catalyzed condensation reaction of 5-norbor-nene-2-carboxaldehyde with guaiacol. NMR spectral data indicated formation of BPA-NB comprising of isomeric components. A series of (co)poly(ether sulfone)s possessing pendant norbornenyl groups was synthesized by nucleophilic aromatic substitution polycondensation of varying molar ratio of BPA-NB and bisphenol-A (BPA) with bis(4-fluorophenyl) sulfone. Inherent viscosity values and number average molecular weights of (co)poly (ether sulfone)s were in the range 0.67-1.01 dL/g and 75,400-1,16,300 g/mol, respectively indicating the formation of reasonably high molecular weight polymers. Tough, transparent, and flexible films could be cast from chloroform solutions of these (co)poly(ether sulfone)s. (Co)poly(ether sulfone)s were characterized using FT-IR, H-1 NMR and C-13 NMR spectroscopy, XRD, TGA and DSC analysis. The formation of random copoly(ether sulfone)s was demonstrated by( 13)C NMR analysis. The incorporation of BPA-NB into (co)poly(ether sulfone)s resulted into improvement in Tg values. BPA-NB-based (co)poly(ether sulfone)s offered possibilities for post -modifications involving either methoxyl or norbornenyl groups. A representative copoly(ether sulfone) (PSU-NB-2) possessing pendant norbornenyl groups was chemically modified via thiol-ene reaction with three representative thiol compounds, namely, 1-dodecanethiol, 2-furanmethanethiol and 2-mercaptoethanol to yield corresponding post-modified polymers in a quantitative manner. Additionally, it was demonstrated that copoly (ether sulfone) possessing pendant norbornenyl groups could be used to form insoluble cross-linked gel in the presence of a multifunctional thiol cross-linker.

}, keywords = {(Co)poly(ether sulfone)s, bisphenol, Cross -linking, Pendant norbornenyl groups, Thiol-ene reaction}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2022.111431}, author = {Talanikar, Aniket A. and Nagane, Samadhan S. and Wadgaonkar, Prakash P. and Rashinkar, Gajanan S.} } @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 {48160, title = {Ready access to benzannulated [5,5]-oxaspirolactones using Au(III)-catalyzed cascade cyclizations}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {MAR}, pages = {3025-3041}, type = {Article}, abstract = {

This work showcases an unprecedented Au(III)-catalyzed cascade cyclization of 2-(4-hydroxyalkynyl)benzoates to access benzannulated [5,5]-oxaspirolactones related to biologically active natural products. This reaction proceeds through an initial 5-endo-dig mode of hydroalkoxylation of the alkynol segment to give the oxocarbenium species (via cyclic enol-ether) followed by the addition of carboxylate onto the oxocarbenium that delivers the oxaspirolactone scaffold. While testing this method{\textquoteright}s scope, we found that the steric and electronic environment of the hydroxyl group could alter the reaction pathway that delivers isochromenone through a competitive 6-endo-dig mode of attack of the carboxylate onto the tethered alkyne.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c02843}, author = {Mankad, Yash and Thorat, Sagar S. and Das, Pronay and Krishna, Gamidi Rama and Kontham, Ravindar and Reddy, D. Srinivasa} } @article {47992, title = {Recent developments in the applications of biomass-derived sulfonated carbonaceous solid acid catalysts}, journal = {Helvetica Chimica Acta}, volume = {105}, year = {2022}, month = {AUG}, pages = {e202200032}, type = {Review}, abstract = {

Recently, carbon-based materials are gaining a lot of attraction. It is considered as an emerging area of research and has gained significant importance as an efficient catalyst/material in various fields. Biomass is abundantly available, cheap and a renewable carbon resource. Sulfonated carbonaceous solid acid catalyst can be derived by sulfonation of various sources of biomass such as sugars, lignin, fruit waste, agro-waste, bio-char, etc. Sulfonated carbonaceous solid acid catalysts can be used as a substitute to liquid acids. These catalysts possess a stable carbon skeleton and are insoluble in almost all organic solvents as well as under acidic/basic conditions. This review covers details about biomass-derived sulfonated carbonaceous solid acid catalysts and its catalytic activities in many important transformations such as hydrolysis of cellulose, synthesis of biodiesel, synthesis of various important chemicals and for various organic transformations.

}, keywords = {Biodiesel, Biomass, cellulose, Hydrolysis, sulfonated carbonaceous solid acid catalyst}, issn = {0018-019X}, doi = {10.1002/hlca.202200032}, author = {Kirdant, Swapnali P. and Tamboli, Asma T. Biradar and Jadhav, Vrushali H.} } @article {48125, title = {Regio-isomerism directed electrocatalysis for energy efficient zinc-air battery}, journal = {iScience}, volume = {25}, year = {2022}, month = {OCT }, pages = {105179}, type = {Article}, abstract = {

We have investigated the role of ligand isomerism in modulating the mechanisms and kinetics associated with charge/ discharge chemistry of an aqueous metal-air battery. The dominant electron-withdrawing inductive effect (-I effect) and the diminished electron-withdrawing resonance effect (-R effect) in the alpha-NO2 isomer noticeably diminishes the rate of oxygen reduction (ORR) and oxygen evolution reactions (OER) on the catalytic Co-center. In their beta-counterpart, the cumulative -I and -R effects noticeably enhance the OER and ORR kinetics on the same catalytic Co-center. Therefore, the regioisomerism of the -NO2 functionality amplifies the kinetics of ORR/OER without influencing their mechanistic pathways. When isomeric electrocatalysts are integrated to aid the charge chemistry of a Zn-air battery, the overpotential could be decreased by similar to 250mV with beta-NO2 isomer leading to a round-trip efficiency as high as 60\%. This work contributes to the design of novel molecular platforms to target the overall round-trip efficiency of energy storage and conversion devices.

}, doi = {10.1016/j.isci.2022.105179}, author = {Mukhopadhyay, Sanchayita and Devendrachari, Mruthyunjayachari Chattanahalli and Kanade, Sandeep C. and Vinod, Chathakudath Prabhakaran and Kotresh, Harish Makri Nimbegondi and Thotiyl, Musthafa Ottakam} } @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 {47834, title = {Silver-catalyzed [3 + 3]-annulation cascade of alkynyl alcohols and α,β-unsaturated ketones for the regioselective assembly of chromanes}, journal = {Organic Chemistry Frontiers}, volume = {9}, year = {2022}, month = {JAN}, pages = {802-809}, type = {Article}, abstract = {An unprecedented Ag(i)-catalyzed [3 + 3]-annulation of alkynyl alcohols (5-hexyn-1-ols) and α,β-unsaturated ketones is reported to construct simple to complex chromanes. This transformation begins with hydroalkoxylation of alkynol through C{\textendash}C triple bond activation to give cyclic-enol ether, followed by intermolecular 1,4-addition and intramolecular 1,2-addition of enol ethers onto the enone and oxidative aromatization or Grob-type elimination steps. Facile reaction conditions, broad substrate scope, good to excellent yields, and atom economy are the salient features of this protocol. Isolation of the active pyran-tethered cyclohexadiene reaction intermediate, additional supporting experiments, and DFT calculations strongly support the experimental findings and corroborate our proposed mechanism.}, issn = {2052-4129}, doi = {10.1039/D1QO01643A}, author = {Nakate, Ashwini K. and Thorat, Sagar S. and Jain, Shailja and Rama Krishna, Gamidi and Vanka, Kumar and Kontham, Ravindar} } @article {48126, title = {Six-membered saturated NHC-stabilized borenium cations: isolation of a cationic analogue of borinic acid}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {AUG}, pages = {12991-12997}, type = {Article}, abstract = {

The reaction of six-membered saturated NHC [1,3-di(2,6-diisopropylphenyl) tetrahydropyrimidine-2-ylidene; henceforth abbreviated as 6-SIDipp] with PhBCl2 yields a Lewis base adduct, 6-SIDipp.PhBCl2 (1), which readily undergoes nucleophilic substitution reaction with AgNO3, leading to the single (2) and double (3) substitution of both chlorides with ONO2 moieties at the boron atom. The reaction of 1 with 1 equiv of AlCl3 resulted in a borenium cation of composition [6-SIDipp.B(Ph)Cl]+ (4) with AlCl4- as the counteranion. Although borenium cations with different substituents on boron have been reported, a structurally characterized phenylchloroborenium cation remains unknown. Similarly, the reaction of 1 with triflic acid provides the first representative of a new class of borenium cations bearing one hydroxyl and one phenyl group on boron (5), a cationic analogue of borinic acid. Ph-BN H Diphenylborinic acid

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c00611}, author = {Kundu, Gargi and Balayan, Kajal and Tothadi, Srinu and Sen, Sakya S.} } @article {48223, title = {Stacking herbicide detoxification and resistant genes improves glyphosate tolerance and reduces phytotoxicity in tobacco (Nicotiana tabacum L.) and rice (Oryza sativa L.)}, journal = {Plant Physiology and Biochemistry}, volume = {189}, year = {2022}, month = {OCT}, pages = {126-138}, type = {Article}, abstract = {

Glyphosate residues retained in the growing meristematic tissues or in grains of glyphosate-resistant crops affect the plants physiological functions and crop yield. Removing glyphosate residues in the plants is desirable with no penalty on crop yield and quality. We report a new combination of scientific strategy to detoxify glyphosate that reduces the residual levels and improve crop resistance. The glyphosate detoxifying enzymes Aldo-keto reductase (AKR1) and mutated glycine oxidase (mGO) with different modes of action were co-expressed with modified EPSPS, which is insensitive to glyphosate in tobacco (Nicotiana tabacum L.) and rice (Oryza sativa L.). The transgenic tobacco plants expressing individual PsAKR1, mGO, CP4-EPSPS, combinations of PsAKR1:CP4EPSPS, PsAKR1:mGO, and multigene with PsAKR1: mGO: CP4EPSPS genes were developed. The bio-efficacy studies of in-vitro leaf regeneration on different concentrations of glyphosate, seedling bioassay, and spray on transgenic tobacco plants demonstrate that glyphosate detoxification with enhanced resistance. Comparative analysis of the transgenic tobacco plants reveals that double and multigene expressing transgenics had reduced accumulation of shikimic acid, glyphosate, and its primary residue AMPA, and increased levels of sarcosine were observed in all PsAKR1 expressing transgenics. The multigene expressing rice transgenics showed improved glyphosate resis-tance with yield maintenance. In summary, results suggest that stacking genes with two different detoxification mechanisms and insensitive EPSPS is a potential approach for developing glyphosate-resistant plants with less residual content.

}, keywords = {Detoxification, Gene stacking, Glyphosate, Herbicide, Multigene, Residual toxicity, Resistant, rice, Tobacco, Transgenics}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2022.08.025}, author = {Vennapusa, Amaranatha Reddy and Agarwal, Subham and Hm, Hanumanth Rao and Aarthy, Thiagarayaselvam and Babitha, K. C. and Thulasiram, V. Hirekodathakallu and Kulkarni, Mahesh J. and Melmaiee, Kalpalatha and Sudhakar, Chinta and Udayakumar, M. and Vemanna, Ramu S.} } @article {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 {48149, title = {Substitution at sp(3) boron of a six-membered NHC center dot BH3: convenient access to a dihydroxyborenium cation}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {MAR }, pages = {3783-3786}, type = {Article}, abstract = {

Herein, we have undertaken the synthesis and investigated the reactivity of a 6-membered saturated NHC borane adduct (1). Direct electrophilic halogenation of 1 with a stoichiometric amount of I-2 led to NHC boryl iodides, 6-SIDipp center dot BH2I (2) and 6-SIDipp center dot BHI2 (3), which were further reacted with various nucleophiles to give novel 6-SIDipp based mono and disubstituted boranes with OTf (4 and 6) or ONO2 (5 and 7) functional groups. The addition of Br-2/H2O to 1 smoothly results in a dihydroxyborenium cation (8).

}, issn = {1359-7345}, doi = {10.1039/d1cc06816d}, author = {Kundu, Gargi and Ajithkumar, V. S. and Raj, K. Vipin and Vanka, Kumar and Tothadi, Srinu and Sen, Sakya S.} } @article {48204, title = {Synthesis and characterization of partially biobased aromatic (Co)polycarbonates containing biphenylene units and pendant pentadecyl chains}, journal = {Macromolecular Chemistry and Physics}, volume = {223}, year = {2022}, month = {JUL}, pages = {2100449}, type = {Article}, abstract = {

2-Pentadecyl-[1,1{\textquoteright}{\textquoteright}-biphenyl]-4,4{\textquoteright}{\textquoteright}-diol (PBD) is synthesized starting from cashew nut shell liquid-a by-product of cashew processing industry. A new series of partially biobased aromatic (co)polycarbonates possessing biphenylene units and pendant pentadecyl chains is synthesized by solution polycondensation of PBD or varying compositions of PBD and bisphenol-A with triphosgene in dry dichloromethane. Inherent viscosities and number average molecular weights of (co)polycarbonates are in the range 0.51-1.24 dL g(-1) and 18 x 10(3)- 43.4 x 10(3) g mol(-1), respectively indicating the formation of reasonably high molecular weight polymers. Flexible, transparent, and free-standing films of (co)polycarbonates can be cast from chloroform solution. (Co)polycarbonates are characterized using Fourier transform infrared spectroscopy (FTIR), H-1 NMR, C-13 NMR spectroscopy, X-ray diffraction (XRD), differential scanning calorimetry, and thermogravimetric analysis. T-10 and T-g values of (co)polycarbonates are in the range 417-433 and 8-147 degrees C, respectively. It is demonstrated that the T-g values can be tuned by incorporation of appropriate mol\% of PBD as a comonomer in Bisphenol-A-based copolycarbonates. The lowering of the T-g values of (co)polycarbonates can be attributed primarily to the packing disruptive effect of flexible pentadecyl chains. Furthermore, the effect of incorporation of PBD as a comonomer on water contact angle values of (co)polycarbonates is evaluated.

}, keywords = {aromatic polycarbonates, biobased bisphenol, Cashew nut shell liquid, pentadecyl chain, Renewable resources}, issn = {1022-1352}, doi = {10.1002/macp.202100449}, author = {Ichake, Amol B. and Nagane, Samadhan S. and Jadhav, Uday A. and Torris, Arun and Grau, Etienne and Cramail, Henri and Wadgaonkar, Prakash P.} } @article {48217, title = {Synthesis and crystal structures of Mn(II) and Co(II) complexes as catalysts for oxidation of cyclohexanone}, journal = {Inorganics}, volume = {10}, year = {2022}, month = {JUL}, pages = {100}, type = {Article}, abstract = {

The global demand on adipic usage in the production of plasticizers and synthetic polyamide is increasing. In line with the search for an efficient and energy-conserving way to isolate adipic acid (AA) in good yields, this paper introduces the oxidization of cyclohexanone utilizing two new coordination compounds, [Mn(2,6-pydc)(2)](imi) (1) and [Co(H(2)pza)(2)(H2O)(2)(NO3)].NO3 (2), as catalysts. Compounds 1 and 2 were synthesized by room temperature and refluxing methods, and characterized by spectral analyses (IR and UV-Vis.), SEM, BET, TGA, elemental, and X-ray crystallography. The single crystal structure of compound 1 revealed that pyridinedicarboxylate (2,6-pydc) and imidazole (imi) moieties were coordinated to the Mn(II) atom through imine nitrogen and deprotonated oxygen atoms, to form an undistorted octahedral coordination geometry with the N2O4 donor set. The axial and equatorial planes containing O2, O4, O5, and O7 atoms were from two adjacent 2,6-pydc ligands which formed the unidendate donor ligand; imi, on the other hand, acted as a bidendate donor ligand. For compound 2, the Co(II) atom was being coordinated by two pyrazinamide (H(2)pza) moieties, which acted as an unidendate donor ligand; two water molecules occupying the axial position, and one nitrate molecule occupying the apical position, were within the coordination sphere; a nitrate molecule was disordered outside the coordination sphere. The distance, 4.658 angstrom, between the Co1 atom and the N8 atom of the uncoordinated nitrate molecule, was within the range reported elsewhere. Cyclohexanone peroxidation experiments revealed that compound 1 exhibited unique catalytic performance by giving a 72.8\% yield in adipic acid, in comparison to the 71.3\% yield obtained with compound 2. The yields in AA were maintained by way of recyclability evaluation. The reaction kinetics of compound 2 gave less activation energy, E-a 2938 J mol(-1), while the thermodynamic parameters indicated that the chemical reactivity of cyclohexanone on the active surfaces of compounds 1 and 2 was via monolayer physisorption.

}, keywords = {cobalt, Complexes, cyclohexanone, Imidazole, managanese, Oxidation, pyrazinamide, pyridinedicarboxylate}, doi = {10.3390/inorganics10070100}, author = {Tella, Adedibu C. and Isaac, Aaron Y. and Clayton, Hadley S. and Ogunlaja, Adeniyi S. and Venugopalan, Aswathy T. and Prabu, Marimuthu and Thirumalaiswamy, Raja} } @article {48138, title = {Synthesis, characterization and UV-crosslinking of aromatic (Co)polycarbonates bearing pendant azido groups}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {SEP}, pages = {e202201020}, type = {Article}, abstract = {

A new series of (co)polycarbonates bearing pendent azido groups was synthesized by polycondensation of varying molar proportions of 4, 4{\textquoteright}-(5-azidopentane-2, 2-diyl) diphenol and bisphenol-A with triphosgene. The chemical structures, compositions and random nature of (co)polycarbonates were confirmed by NMR spectroscopy. Inherent viscosities and number-average molecular weights of (co)polycarbonates were in the range 0.63-0.77 dL g(-1) and 35,400-43,400 g mol(-1), respectively indicating the formation of reasonably high molecular weight polymers. (Co)polycarbonates could be cast into tough, transparent and flexible films from chloroform solutions. (Co)polycarbonates were further characterized using IR spectroscopy, XRD, TGA and DSC. The thermal crosslinking of (co)polycarbonates bearing pendant azido groups was studied by DSC analysis. Independently, (co)polycarbonates bearing pendant azido groups were exposed to UV irradiation at wavelength of 254 nm and decomposition reaction of azido groups was monitored by FT-IR spectroscopy. The complete decomposition of azido groups was observed with exposure time of 30 min. The formed cross-linked (co)polycarbonates exhibited improved \% char yield values compared to parent (co)polycarbonates. The measurement of mechanical properties of representative crosslinked (co)polycarbonates indicated increase in tensile strength and Young{\textquoteright}s modulus and decrease in \% elongation compared to corresponding parent linear (co)polycarbonates.

}, keywords = {Aromatic polycarbonate, Pendant azido group, solution polycondensation, Triphosgene, UV-crosslinking}, issn = {2365-6549}, doi = {10.1002/slct.202201020}, author = {Nagane, Samadhan S. and Kuhire, Sachin S. and Ichake, Amol B. and Talanikar, Aniket A. and Lochab, Bimlesh and Wadgaonkar, Prakash P.} } @article {48434, title = {Synthesis, crystal structure and Hirshfeld surface analysis of a zinc(II) coordination polymer of 5-phenyl-1,3,4-oxa-diazole-2-thiol-ate}, journal = {Acta Crystallographica Section E Crystallographic Communications}, volume = {87}, year = {2022}, month = {AUG}, pages = {794-797}, type = {Article}, abstract = {

A new zinc coordination polymer with 5-phenyl-1,3,4-oxa-diazole-2-thiol-ate, namely,\ catena-poly[zinc(II)-bis-(μ2-5-phenyl-1,3,4-oxa-diazole-2-thiol-ato)-κ2N3:S;κ2S:N3], [Zn(C8H5N2OS)2]n, was synthesized. The single-crystal X-ray\ diffraction analysis\ shows that the polymeric structure crystallizes in the centrosymmetric monoclinic\ C2/cspace group.\ The ZnII\ atom is coordinated to two S and two N atoms from four crystallographically independent (L) ligands, forming zigzag chains along the [001] direction. This polymer complex forms an eight-membered [Zn{\textendash}S{\textendash}C{\textendash}N{\textendash}Zn{\textendash}S{\textendash}C{\textendash}N] chair-like ring with two ZnII\ atoms and two ligand mol-ecules. On the Hirshfeld surface, the largest contributions come from the short contacts such as\ van der Waals forces,\ including H...H, C...H and S...H. Inter-actions including N...H, O...H and C...C contacts were also observed; however, their contribution to the overall stability of the\ crystal lattice\ is minor.

}, keywords = {3, 4-oxa-diazole-2-thiol; coordination polymer; Hirshfeld surface analysis, crystal structure; zinc complex; 5-phenyl-1}, doi = {10.1107/S2056989022006922}, author = {Pirimova, Mehribon and Torambetov, Batirbay and Kadirova, Shakhnoza and Ziyaev, Abdukhakim and Gonnade, Rajesh G. and Ashurov, Jamshid} } @article {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 {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 {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 {48385, title = {Tryptophan-cardanol fluorescent nanoparticles inhibit alpha-synuclein aggregation and disrupt amyloid fibrils}, journal = {Journal of Peptide Science}, volume = {28}, year = {2022}, month = {APR}, pages = {e3374}, type = {Article}, abstract = {

Protein misfolding and aggregation play a vital role in several human diseases such as Parkinson{\textquoteright}s, Alzheimer{\textquoteright}s, and prion diseases. The development of nanoparticles that modulate aggregation could be potential drug candidates for these neurodegenerative disorders. Parkinson{\textquoteright}s disease pathogenesis is closely associated with the accumulation of alpha-synuclein oligomers and fibrils in the substantia nigra of the brain. This report discusses the interactions of novel tryptophan-cardanol nanoparticles with alpha-synuclein protein monomers and fibrils. These nanoparticles could effectively disrupt alpha-synuclein fibrils and inhibit fibril formation at low concentrations such as 5 mu M. The tryptophan-cardanol nanoparticles inhibit fibril formation from unstructured protein resulting in spherical nanostructures. These nanoparticles could also disassemble amyloid fibrils; the complete disappearance of fibrils was evident after 48 h of incubation with tryptophan-cardanol. The transmission electron microscopy (TEM) micrographs after the incubation did not show any remnants of the peptide aggregates or oligomers. The thioflavin T fluorescence after the disassembly was diminished compared with that of fibrils also supports the inhibitory effect of the nanoparticles. Also, these nanoparticles did not reduce the viability of the SH-SY5Y cells. These findings suggest that the tryptophan-cardanol nanoparticles showed sufficiently high inhibitory activity and may have therapeutic potential for synucleinopathies.

}, keywords = {alpha-synuclein, amyloid fibrils, Cardanol, inhibitors, Tryptophan}, issn = {1075-2617}, doi = {10.1002/psc.3374}, author = {Sunny, Lisni P. and Srikanth, Priya and Sunitha, Anju Kunhiraman and Tembulkar, Niyoti and Abraham, Jancy Nixon} } @article {47826, title = {Tuning of oxygen reduction pathways through structural variation in transition metal-doped Ba2In2O5}, journal = {ChemElectroChem}, volume = {9}, year = {2022}, month = {JAN}, pages = {e202101163}, type = {Article}, abstract = {Abstract Oxygen reduction reaction (ORR) can take place either through a two-electron pathway to form H2O2 or through a four-electron pathway to form H2O. Both the reactions are important in the respective fields, viz., H2O2 production as well as fuel cell technology, and rational design of catalysts is mandatory to acquire high energy efficiency in both cases. Here, we report the structure-electrochemical property correlation of a series of perovskite related brownmillerite compounds, Ba2In0.75M0.25O5 (M=Mn/Fe/Co/Ni/Cu), synthesized by solid-state method. On transition metal doping, octahedral distortions were observed, and the highly disordered material tends to follow the 4e transfer mechanism. More symmetrical structures followed the 2e pathway to form H2O2 as the product with high peroxide selectivity. The distortion in the octahedral arrangement can be a descriptor to finetune the selectivity of the catalysts towards the 2e and 4e pathways of ORR.}, keywords = {brownmillerite, Descriptors, Electrochemical H2O2 synthesis, Octahedral distortion, oxygen reduction reaction}, doi = {10.1002/celc.202101163}, author = {Thundiyil, Shibin and Pandikassala, Ajmal and Kurungot, Sreekumar and Devi, R. Nandini} } @article {48212, title = {Ultra-high performance liquid chromatography Q-Orbitrap MS/MS-based profiling and quantification of limonoids in Meliaceae plants}, journal = {Analytical and Bioanalytical Chemistry}, volume = {414}, year = {2022}, month = {AUG}, pages = {6093-6106}, type = {Article}, abstract = {

Meliaceae plants have been extensively used in agriculture, folklore, and traditional medicine. They are the major storehouses for structurally diverse limonoids (meliacins) possessing various bioactivities like antifeedant, insecticidal, antimicrobial, etc. However accurate detection of these tetranortriterpenes from the vast pool of metabolites in plant tissue extracts or biological sample is a crucial challenge. Though the mass spectrum (MS) provides the molecular mass and the corresponding elemental composition, it cannot be relied precisely. The exact identification of a specific metabolite demands the MS/MS spectrum containing the signature product ions. In the present study, we have developed the UHPLC Q-Orbitrap-based method for identification, quantification, and characterization of limonoids in different plant tissue extracts requiring minimum plant material. Using this method, we carried out the limonoid profiling in different tissue extracts of sixteen Meliaceae plants and the identification of limonoids was performed by comparing the retention time (RT), ESI-(+)-MS spectrum, and HCD-MS/MS of the purified fifteen limonoids used as reference standards. Our results revealed that early intermediates of the limonoid biosynthetic pathway such as azadiradione, epoxyazadiradione, and gedunin occurred more commonly in Meliaceae plants. The MS/MS spectrum library of the fifteen limonoids generated in this study can be utilized for identification of these limonoids in other plant tissue extracts, botanical fertilizers, agrochemical formulations, and bio pesticides.

}, keywords = {LC-HRMS, LC-MS/MS, Limonoids, Meliaceae, Natural product, Quantification}, issn = {1618-2642}, doi = {10.1007/s00216-022-04169-2}, author = {Mulani, Fayaj A. and Nandikol, Sharvani S. and Kajjihundi, Jagadeesh S. and Pathappa, Niranjana and Puttappa, Sharanappa and Thulasiram, V. Hirekodathakallu} } @article {48199, title = {Understanding the effect of sodium polyphosphate on improving the chemical stability of Ti3C2Tz MXene in water}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {OCT }, pages = {22016-22024}, type = {Article}, abstract = {

Degradation of MXenes in aqueous environments severely limits the application and industrialization of this large family of two-dimensional (2D) materials. Hydrolysis and oxidation are now considered as two main degradation mechanisms and while significant efforts have been directed to prolonging the shelf-life of MXenes, separating and studying their degradation mechanisms have lagged behind. Herein, gas analysis via gas chromatography and Raman spectroscopy were used to investigate the effect of sodium polyphosphate, PP, on the degradation of Ti3C2Tz MXene. Transmission and scanning electron microscopies, as well as X-ray photoelectron spectroscopywere also used as complimentary techniques to support conclusions derived from gas analysis and to confirm the extent of degradation via characterization of solid reaction products. Based on these studies we have determined that the addition of PP to an equal mass of Ti3C2Tz solution can effectively suppress hydrolysis and protect Ti3C2Tz from degradation.

}, issn = {2050-7488}, doi = {10.1039/d2ta04009c}, author = {Huang, Shuohan and Natu, Varun and Tao, Jingyi and Xia, Yumin and Mochalin, Vadym N. and Barsoum, Michel W.} } @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 {48095, title = {Use of isoperibolic reaction calorimeter for the study of reaction kinetics of acetic anhydride hydrolysis reaction: effect of acetic anhydride and water ratio}, journal = {Chemical and Process Engineering-Inzynieria Chemiczna I Procesowa}, volume = {43}, year = {2022}, month = {DEC}, pages = {255-264}, type = {Article; Proceedings Paper}, abstract = {

Reaction kinetics of acetic anhydride hydrolysis reaction is being studied at a fixed reaction temperature and ambient pressure using an isoperibolic reaction calorimeter. Temperature versus time data along with heat and mass balance is used to determine the kinetics parameters i.e. activation energy and Arrhenius coefficient. It has been studied with the varying volumetric ratio of acetic anhydride and water; and kinetics parameters were compared and plotted for each ratio. Such a study has not been done previously to determine the kinetics dependency on varying the acetic anhydride water ratio. As the acetic anhydride hydrolysis reaction is exothermic in nature, the present study will help to decide the safe and suitable operating conditions such as concentration and temperature for conducting this reaction at plant scale. The kinetic data presented can be used further for the mathematical modeling and simulation of such exothermic hydrolysis reactions.

}, keywords = {acetic anhydride, Hydrolysis, kinetics, reaction calorimeter, Water}, issn = {0208-6425}, doi = {10.24425/cpe.2022.140829}, author = {Kumar, Rajendra and Tiwari, Anurag Kumar} } @article {48162, title = {Versatile chemistry of six-membered NHC with boranes: bromination at sp(3) borane, activation of the B-H bond of HBpin, and ring expansion of NHC}, journal = {Dalton Transactions}, volume = {51}, year = {2022}, month = {OCT}, pages = {14452-14457}, type = {Article}, abstract = {

The NHC.borane chemistry has been majorly restricted to imidazol-2-ylidene classes of carbenes. In our previous communication, we reported the synthesis of 6-SIDipp center dot BH3 [6-SIDipp = 1,3-di(2,6-diisopropylphenyl) tetrahydropyrimidine-2-ylidene] and its electrophilic substitution reaction with iodine. Here, we have shown selective bromination of a 6-SIDipp stabilized sp(3) B-H bond. Treatment of 1.2 equivalents of N-bromosuccinamide with 6-SIDipp center dot BH3 gives a mixture of mono- and disubstituted products 6-SIDipp center dot BH2Br (1) and 6-SIDipp center dot BHBr2 (2). However, the reactions with alkyl bromides or carbon tetrabromide resulted in 6-SIDipp center dot BH2Br (1) selectively. Exploration of the chemistry of 6-SIDipp with BHCl2 and 9-BBN (9-borabicyclo[3.3.1]nonane) led to mono-6-SIDipp adducts 3 and 6a. Furthermore, 6a undergoes ring expansion to afford a seven-membered product, 6b, under mild conditions. Unlike BHCl2 or 9-BBN, the B-H bond of HBpin undergoes oxidative addition upon reaction with 6-SIDipp, epitomizing the first example (7) of a B-H bond insertion at NHCs. The analogous reactivity with HBcat led to a tetra-hydropyrimidinium salt with B(cat)(2) as a counteranion (8).

}, issn = {1477-9226}, doi = {10.1039/d2dt01707e}, author = {Kundu, Gargi and Dixit, Ruchi and Tothadi, Srinu and Vanka, Kumar and Sen, Sakya S.} } @article {48827, title = {3D-printed polymer composite devices based on a ferroelectric chiral ammonium salt for high-performance piezoelectric energy harvesting}, journal = {Materials Horizons}, volume = {10}, year = {2023}, month = {JUL}, pages = {3153-3161}, type = {Article}, abstract = {

Three-dimensional printing (3DP) is an emerging technology to fabricate complex architectures, necessary to realize state-of-the-art flexible and wearable electronic devices. In this regard, top-performing devices containing organic ferro- and piezoelectric compounds are desired to circumvent significant shortcomings of conventional piezoceramics, e.g. toxicity and high-temperature device processibility. Herein, we report on a 3D-printed composite of a chiral ferroelectric organic salt {[Me3CCH(Me)NH3][BF4]} (1) with a biodegradable polycaprolactone (PCL) polymer that serves as a highly efficient piezoelectric nanogenerator (PENG). The ferroelectric property of 1 originates from its polar tetragonal space group P4(2), verified by P-E loop measurements. The ferroelectric domain characteristics of 1 were further probed by piezoresponse force microscopy (PFM), which gave characteristic {\textquoteleft}butterfly{\textquoteright} and hysteresis loops. The PFM amplitude vs. drive voltage measurements gave a relatively high magnitude of the converse piezoelectric coefficient for 1. PCL polymer composites with various weight percentages (wt\%) of 1 were prepared and subjected to piezoelectric energy harvesting tests, which gave a maximum open-circuit voltage of 36.2 V and a power density of 48.1 mu W cm(-2) for the 10 wt\% 1-PCL champion device. Furthermore, a gyroid-shaped 3D-printed 10 wt\% 1-PCL composite was fabricated to test its practical utility, which gave an excellent output voltage of 41 V and a power density of 56.8 mu W cm(-2). These studies promise the potential of simple organic compounds for building PENG devices using advanced manufacturing technologies.

}, issn = {2051-6347}, doi = {10.1039/d3mh00444a}, author = {Sahoo, Supriya and Kothavade, Premkumar Anil and Naphade, Dipti R. and Torris, Arun and Praveenkumar, Balu and Zareba, Jan K. and Anthopoulos, Thomas D. and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {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 {48766, title = {Atomically dispersed manganese on graphene nanosheets as biocompatible nanozyme for glutathione detection in liver tissue lysate using microfluidic paper-based analytical devices}, journal = {ACS Applied Materials \& Interfaces}, volume = {15}, year = {2023}, month = {OCT }, pages = {47902-47920}, type = {Article}, abstract = {

Recently, single atom catalysts (SACs) featuring M-N-x (M = metal) active sites on carbon support have drawn considerable attention due to their promising enzyme-like catalytic properties. However, typical synthesis methods of SACs often involve energy-intensive carbonization processes. Herein, we report a facile one-pot, low-temperature, wet impregnation method to fully utilize M-N-4 sites of manganese phthalocyanine (MnPc) by decorating molecular MnPc over the sheets of graphene nanoplatelets (GNP). The synthesized MnPc@GNP exhibits remarkable peroxidase-mimic catalytic activity toward the oxidation of chromogenic 3,3 {\textquoteleft},5,5({\textquoteright})-tetramethylbenzidine (TMB) substrate owing to the efficient utilization of atomically dispersed Mn and the high surface-to-volume ratio of the porous catalyst. A nanozyme-based colorimetric sensing probe is developed to detect important biomarker glutathione (GSH) within only 5 min in solution phase based on the ability of GSH to effectively inhibit the TMB oxidation. The high sensitivity and selectivity of the developed colorimetric assay enable us to quantitatively determine GSH concentration in different biological fluids. This work, for the first time, reports a rapid MnPc@GNP nanozyme-based colorimetric assay in the solid substrate by fabricating microfluidic paper-based analytical devices (mu PADs). GSH is successfully detected on the fabricated mu PADs coated with only 6.0 mu g of nanozyme containing 1.6 nmol of Mn in the linear range of 0.5-10 mu M with a limit of detection of 1.23 mu M. This work also demonstrates the quantitative detection of GSH in mice liver tissue lysate using mu PADs, which paves the way to develop mu PADs for point-of-care testing.

}, keywords = {colorimetricsensing, Glutathione, mu PADs, nanozyme, single atom catalyst, tissue lysate}, issn = {1944-8244}, doi = {10.1021/acsami.3c08762}, author = {Baruah, Diksha J. and Thakur, Ashutosh and Roy, Esha and Roy, Kallol and Basak, Sumanjita and Neog, Dipankar and Bora, Himangsu K. and Konwar, Rituraj and Chaturvedi, Vikash and Shelke, Manjusha V. and Das, Manash R.} } @article {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 {48804, title = {Bacopa monnieri reduces Tau aggregation and Tau-mediated toxicity in cells}, journal = {International Journal of Biological Macromolecules}, volume = {234}, year = {2023}, month = {APR}, pages = {123171}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease is a neurodegenerative disease characterized by progressive memory loss and behavioral impairments. In the present study, the ethanolic extract of Bacopa monnieri was studied for its potency to inhibit Tau aggregation and rescuing of the viability of Tau-stressed cells. Bacopa monnieri was observed to inhibit the Tau aggregation in vitro. The cells exposed to Bacopa monnieri were also observed to have a low level of ROS and caspase-3 activity. The immunoblot and immunofluorescence analysis showed that Bacopa monnieri acts as an antioxidant and restored the Nrf2 levels in Neuro2a cells. Bacopa monnieri treatment to Neuro2a cells was observed to reduce the phospho-Tau load in formaldehyde-stressed cells. Furthermore, the treatment of Bacopa monnieri reduced the phosphorylation of GSK-3 beta in formaldehyde-stressed cells. Ran and NUP358 are the key proteins involved in nuclear transport. It was observed that formaldehyde treatment impaired the nuclear transport by missorting the NUP358 arrangement in Neuro2a cells. On the contrary, Bacopa monnieri treatment restored the NUP358 arrangement in cells. The overall results of the present study suggested that Bacopa monnieri could be considered a potent herb against Tau phosphorylation and Tau aggregation, which projects it as a promising formulation for Alzheimer{\textquoteright}s disease.

}, keywords = {Bacopa monnieri, GSK-3 beta, Nrf2, Nuclear transport, NUP358, Tau Aggregation, Tau phosphorylation}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2023.123171}, author = {Dubey, Tushar and Kushwaha, Preeti and Thulasiram, H. V. and Chandrashekar, Madhura and Chinnathambi, Subashchandrabose} } @article {48330, title = {Carbon encapsulated NiCo2S4 nanoparticles with enhanced surface mediated charge storage for superior ultracapacitor electrodes}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {APR}, type = {Article}, abstract = {

Three different compositions of NiCo2S4 (NCS) materials were prepared using three solvents, named NCS HTDI (hydrothermal in DI water), NCS STEG (solvothermal in ethylene glycol), and a novel carbon-encapsulated NCS STFA (solvothermal in formamide). The structural and morphological properties of the prepared NCS HTDI, NCS STEG, and NCS HTDI materials were analyzed using various physical characterization techniques. As prepared, NCS materials were tested as an electrode for supercapacitor (SC) application using a 3-electrode system in a basic electrolyte (3 M KOH). NCS HTDI exhibits a specific capacitance of 2536 F g(-1), NCS STEG shows 1355 F g(-1), and NCS STFA shows 1178 F g(-1) at an input current density of 1 A g(-1). The SBN-PSC material is utilized as a counter electrode in the NCS STFA || SBN-PSC-based asymmetric SC device. The device exhibits exceptionally superior electrochemical performance with a specific capacitance of 172 F g(-1) at 10 A g(-1) input current density and 97\% capacity retention after 5000 cycles in a voltage window of 1.6 V. The results confirm the superiority of NCS STFA||SBN-PSC deviceas an excellent high-energy and high-power SC.

}, keywords = {Asymmetric supercapacitor device, NiCo2S4, pseudocapacitor, Surface charge storage}, issn = {1861-4728}, doi = {10.1002/asia.202300121}, author = {Chaturvedi, Vikash and Pawar, Meenakshi and Thripuranthaka, M. and Shivade, Rajkiran and Shelke, Manjusha V. V.} } @article {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 {48795, title = {COF-supported zirconium oxyhydroxide as a versatile heterogeneous catalyst for Knoevenagel condensation and nerve agent hydrolysis}, journal = {iScience}, volume = {26}, year = {2023}, month = {NOV}, pages = {108088}, type = {Article}, abstract = {

A composite of catalytic Lewis acidic zirconium oxyhydroxides (8 wt \%) and a covalent organic framework (COF) was synthesized. X-ray diffraction and infrared (IR) spectroscopy reveal that COF{\textquoteright}s structure is pre-served after loading with zirconium oxyhydroxides. Electron microscopy confirms a homogeneous distri-bution of nano-to sub-micron-sized zirconium clusters in the COF. 3D X-ray tomography captures the micron-sized channels connecting the well-dispersed zirconium clusters on the COF. The crystalline ZrOx(OH)(y)@COF{\textquoteright}s nanostructure was model-optimized via simulated annealing methods. Using 0.8 mol \% of the catalyst yielded a turnover number of 100-120 and a turnover frequency of 160-360 h(-1) for Knoevenagel condensation in aqueous medium. Additionally, 2.2 mol \% of catalyst catalyzes the hy-drolysis of dimethyl nitrophenyl phosphate, a simulant of nerve agent Soman, with a conversion rate of 37\% in 180 min. The hydrolytic detoxification of the live agent Soman is also achieved. Our study unveils COF-stabilized ZrOx(OH)(y) as a new class of zirconium-based Lewis + Bronsted-acid catalysts.

}, doi = {10.1016/j.isci.2023.108088}, author = {Shekhar, Pragalbh and Devulapalli, Venkata Swaroopa Datta and Reji, Reshma and Singh, Himan Dev and Jose, Aleena and Singh, Piyush and Torris, Arun and Vinod, Chatakudath P. and Tokarz III, John A. and Mahle, John J. and Peterson, Gregory W. and Borguet, Eric and Vaidhyanathan, Ramanathan} } @article {48480, title = {Comprehensive analysis of physiological and metabolomic responses to drought reveals specific modulation of acquired tolerance mechanisms in rice}, journal = {Physiologia Plantarum}, volume = {175}, year = {2023}, month = {MAY}, pages = {e13917}, type = {Article}, abstract = {

Mild stresses induce {\textquoteleft}{\textquoteleft}acquired tolerance traits{\textquoteright}{\textquoteright} (ATTs) that provide tolerance when stress becomes severe. Here, we identified the genetic variability in ATTs among a panel of rice germplasm accessions and demonstrated their relevance in protecting growth and productivity under water-limited conditions. Diverse approaches, including physiological screens, association mapping and metabolomics, were adopted and revealed 43 significant marker-trait associations. Nontargeted metabolomic profiling of contrasting genotypes revealed 26 {\textquoteleft}{\textquoteleft}tolerance-related-induced{\textquoteright}{\textquoteright} primary and secondary metabolites in the tolerant genotypes (AC-39000 and AC-39020) compared to the susceptible one (BPT-5204) under water-limited condition. Metabolites that help maintain cellular functions, especially Calvin cycle processes, significantly accumulated more in tolerant genotypes, which resulted in superior photosynthetic capacity and hence water use efficiency. Upregulation of the glutathione cycle intermediates explains the ROS homeostasis among the tolerant genotypes, maintaining spikelet fertility, and grain yield under stress. Bioinformatic dissection of a major effect quantitative trait locus on chromosome 8 revealed genes controlling metabolic pathways leading to the production of osmolites and antioxidants, such as GABA and raffinose. The study also led to the identification of specific trait donor genotypes that can be effectively used in translational crop improvement activities.

}, issn = {0031-9317}, doi = {10.1111/ppl.13917}, author = {Doddaraju, Pushpa and Dharmappa, Prathibha M. and Thiagarayaselvam, Aarthy and Vijayaraghavareddy, Preethi and Bheemanahalli, Raju and Basavaraddi, Priyanka A. and Malagondanahalli, Mohan Kumar V. and Kambalimath, Sumanth and Thulasiram, Hirekodathakallu V. and Sreeman, Sheshshayee M.} } @article {48319, title = {Comprehensive molecular and clinical investigation of approved Anti-HCV drugs repurposing against SARS-CoV-2 infection: a glaring gap between benchside and bedside medicine}, journal = {Vaccines}, volume = {11}, year = {2023}, month = {MAR}, pages = {515}, type = {Article}, abstract = {

The limited availability of effective treatment against SARS-CoV-2 infection is a major challenge in managing COVID-19. This scenario has augmented the need for repurposing anti-virals for COVID-19 mitigation. In this report, the anti-SARS-CoV-2 potential of anti-HCV drugs such as daclatasvir (DCV) or ledipasvir (LDP) in combination with sofosbuvir (SOF) was evaluated. The binding mode and higher affinity of these molecules with RNA-dependent-RNA-polymerase of SARS-CoV-2 were apparent by computational analysis. In vitro anti-SARS-CoV-2 activity depicted that SOF/DCV and SOF/LDP combination has IC50 of 1.8 and 2.0 mu M, respectively, comparable to remdesivir, an approved drug for COVID-19. Furthermore, the clinical trial was conducted in 183 mild COVID-19 patients for 14 days to check the efficacy and safety of SOF/DCV and SOF/LDP compared to standard of care (SOC) in a parallel-group, hybrid, individually randomized, controlled clinical study. The primary outcomes of the study suggested no significant difference in negativity after 3, 7 and 14 days in both treatments. None of the patients displayed any worsening in the disease severity, and no mortality was observed in the study. Although, the post hoc exploratory analysis indicated significant normalization of the pulse rate showed in SOF/DCV and SOF/LDP treatment vs. SOC. The current study highlights the limitations of bench side models in predicting the clinical efficacy of drugs that are planned for repurposing.

}, keywords = {antiviral, COVID-19, daclatasvir, ledipasvir, SARS-CoV-2, sofosbuvir}, doi = {10.3390/vaccines11030515}, author = {Bansode, Sneha and Singh, Pawan Kumar and Tellis, Meenakshi and Chugh, Anita and Deshmukh, Narendra and Gupta, Mahesh and Verma, Savita and Giri, Ashok and Kulkarni, Mahesh and Joshi, Rakesh and Chaudhary, Dhruva} } @article {48283, title = {Computational insights into the iron-catalyze d magnesium-me diate d hydroformylation of alkynes}, journal = {Journal of Organometallic Chemistry}, volume = {986}, year = {2023}, month = {FEB}, pages = {122621}, type = {Article}, abstract = {

Iron is one of the most abundant transition metals in the earth{\textquoteright}s crust. It has attracted a lot of attention due to its low toxicity, bio-compatibility, and high natural abundance. Iron-catalyzed hydroamination, hydroalkoxylation, hydrocarboxylation, hydrosilylation, hydroboration, hydrophosphination, hydromagnesiation, and carbonylation reactions have therefore been developed over the past decades. However, despite many experimental and theoretical studies, a complete mechanistic understanding of iron-catalyzed hydrofunctionalisation at the molecular level has not yet been achieved. In this work, through density functional theory (DFT) calculations, we have shown the most feasible path for the hydroformylation of alkynes for an experimentally studied system. We have looked at the iron salt as a precatalyst without any external donor ligand, and the calculations revealed that hydrometalation followed by beta-hydride elimination was favorable over the direct migration of the beta-hydrogen to carbon. Furthermore, our calculations show that the solvent plays an important role in the hydromagnesiation reaction. Furthermore, we have employed an explicit solvent model, where the attachment of one molecule of solvent to the iron center was seen to stabilize the transition states significantly.(c) 2023 Elsevier B.V. All rights reserved.

}, keywords = {Computational study, Ethylene Assisted Catalysis, EtMgBr Assistance, Explicit Role of Solvent, Hydroformylation, Iron Catalyst}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2023.122621}, author = {Sharma, Himanshu and Tewari, Tanuja and Chikkali, Samir H. and Vanka, Kumar} } @article {48772, title = {Conversion of benzyl phenyl ether to monoaromatics in high-temperature aqueous ethanol solution under high-pressure carbon dioxide conditions}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {JUL}, pages = {12561-12569}, type = {Article}, abstract = {

Solvolysis of benzyl phenyl ether (BPE), which is a model compound of lignin ether linkage, was studied in an aqueous ethanol solution, which can be obtained from bioethanol, under high-pressure carbon dioxide conditions. A batch study revealed that BPE solvolysis to monoaromatics (benzyl ethyl ether (BEE), benzyl alcohol (BA), and phenol (Ph)) proceeded in aqueous ethanol solution over 523 K and the addition of high-pressure carbon dioxide enhanced the initial solvolysis rate and suppressed the side reaction (hydrogenolysis to toluene (TL)). The ethanol molar fraction (ethanol-water volume ratio) is the key factor for the solvolysis reaction, and the highest monoaromatic yield of 72.9\% (BEE 10.7\%, BA 19.3\%, Ph 37.9\%, and TL 5.1\%) was obtained in aqueous ethanol solution (2 cm(3) : 1 cm(3) = water:ethanol) at 598 K for 3 h under a pressure of 18 MPa of carbon dioxide. The solvolysis reaction proceeded continuously to produce monoaromatics with a flow system. A monoaromatic yield of 76.7\% (BEE 8.6\%, BA 19.7\%, Ph 39.6\%, and TL 8.9\%) was obtained, and the formation rates were 2.7 x 10(-4) mmol min(-1) for BEE, 6.2 x 10(-4) mmol min(-1) for BA, and 12.4 x 10(-4) mmol min(-1) for Ph at 598 K under flowing water (26 mmol min(-1)), ethanol solution (4.1 mmol min(-1)), carbon dioxide (1.2 mmol min(-1)), and BPE (15.6 x 10(-4) mmol min(-1)) under a total pressure of 40 MPa.

}, issn = {1144-0546}, doi = {10.1039/d3nj01773g}, author = {Taniguchi, Kenkichi and Kusumawati, Etty N. and Nanao, Hidetaka and Rode, Chandrashekhar V. and Sato, Osamu and Yamaguchi, Aritomo and Shirai, Masayuki} } @article {48443, title = {Developing a mealybug pheromone monitoring tool to enhance IPM practices in New Zealand vineyards}, journal = {Journal of Pest Science}, volume = {96}, year = {2023}, month = {JAN}, pages = {29-39}, type = {Article}, abstract = {

Mealybugs are phloem-feeding insects found on many crops worldwide. In New Zealand vineyards, they transmit the economically important Grapevine leafroll-associated virus 3 (GLRaV-3). For some mealybug species, synthetic sex pheromones have been commercialised, and are used as monitoring tools. The mealybugs Pseudococcus longispinus and Pseudococcus calceolariae are major pests in many New Zealand vineyards. We present work on the development of a combined P. longispinus and P. calceolariae pheromone lure. The optimal dose for monitoring P. longispinus was found to be 10 mu g of the (S)-(+)-enantiomer, either alone or in the racemic mixture. Addition of the corresponding alcohol did not improve trap catch of P. longispinus. Both the P. longispinus and the P. calceolariae pheromone lures remained active in the field for 90 days. Combining the 2 species{\textquoteright} pheromones had no negative effects on male mealybug trap catch for either species. We conclude that the pheromone ester alone is the best lure for the male P. longispinus. Combining the two mealybug species{\textquoteright} pheromones into a single lure provides the New Zealand viticultural industry with an efficient monitoring tool. Late-vintage deployment of baited lures will provide information on mealybug abundance and local distribution that will inform the scope of future insecticide programmes, to target areas based on need rather than an area-wide application by default.

}, keywords = {Citrophilus mealybug, Integrated pest management (IPM), Long-tailed mealybug, monitoring, Pseudococcus calceolariae, Pseudococcus longispinus}, issn = {1612-4758}, doi = {10.1007/s10340-022-01504-5}, author = {Sullivan, Nicola J. and Bell, Vaughn A. and Butler, Ruth C. and Wallis, Roger and Ramesh, Remya and Reddy, D. Srinivasa and Twidle, Andrew M. and Bunn, Barry and Unelius, C. Rikard and Manning, Lee-Anne M. and Suckling, David M.} } @article {48796, title = {Double encapsulation of liquid active compounds using nanoclay reinforced polyurea microcapsules}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {679}, year = {2023}, month = {DEC}, pages = {132547}, type = {Article}, abstract = {

In recent years, there has been growing interest in the double encapsulation of drugs, agrochemicals, and fragrances, aiming to achieve the highest encapsulation efficiency and preserve the activity of the encapsulated core over an extended duration. However, when active ingredients in liquid form are double encapsulated, preventing the rupture of primary microcapsules during the second encapsulation process and the leakage of the encapsulated core are major challenges. This report describes a method that utilizes polyurea and starch for successful double encapsulation of dimethyl phthalate (DMP), a liquid insect-repellent, as a model active component. We demonstrate that the incorporation of 3 wt\% montmorillonite (MMT) nanoclay strengthens the polyurea wall of the primary microcapsule and prevents its rupture during double encapsulation with starch. This process facilitates the uniform distribution of polyurea microcapsules within the starch matrix and significantly improves the mechanical integrity of the nanocomposite microcapsules embedded in starch. The double-encapsulated system developed in this study significantly reduces the release rate of encapsulated DMP.

}, keywords = {Controlled release, Double encapsulation, Microcapsules, Microencapsulation, Nanocomposites, Starch matrix}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2023.132547}, author = {Aher, Yogeshwar P. and Torris, Arun and Adhikari, Benu and Shukla, Ravi and Shanmuganathan, Kadhiravan} } @article {48267, title = {Dual activity cavitation reactors for increased efficacy in degradation of refractory pollutants-A case study on cephalexin degradation}, journal = {Chemical Engineering Research \& Design}, volume = {192}, year = {2023}, month = {APR}, pages = {310-322}, type = {Article}, abstract = {

The present work discloses a new form of cavitation processes using reactors of dual activity for increased efficiency. A proof of concept is established for the degradation of a refractory pollutant-cephalexin using both conventional and dual function cavitation reactors for the first time using acoustic and hydrodynamic cavitation (HC). A vortex diode as a cavitating device was employed for HC using aluminium as a non-catalytic and copper as dual function device for providing additional catalytic effect. The process in-tensification using hydrogen peroxide (H2O2) coupled with the dual function devices was highly effective. A negligible degradation with only HC and 81\% for HC coupled with H2O2 in 60 min for Al-vortex diode compared to 100\% degradation in only 5 min for the copper device clearly demonstrates the order of magnitude enhancements establishing dual function due to catalytic activity. Also, pH modification (pH 11) yields enhancement over 300\% for Cu-vortex diode. The use of dual function reactors drastically reduces H2O2 do-sage. The overall enhancements in the per pass degradation and cavitation yields were huge, similar to 3000\% and 1450\% respectively, highlighting the potential of the dual function ca-vitation reactors in real-life applications, not just for increased efficiencies but also for significantly reduced costs.(c) 2023 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Advanced oxidation, Degradation, pollution, Technology, Wastewater treatment}, issn = {0263-8762}, doi = {10.1016/j.cherd.2023.02.037}, author = {Dixit, Divya and Thanekar, Pooja and Bhandari, Vinay M.} } @article {48748, title = {Elevated level of glycated KQTALVELVK peptide of albumin is associated with the risk of diabetic nephropathy}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {JUN }, pages = {20654-20660}, type = {Article}, abstract = {

Diabetic nephropathyis a leading cause of end-stagerenal disease.Hence, early detection of diabetic nephropathy is essential to mitigatethe disease burden. Microalbuminuria, the currently used diagnosticmarker of diabetic nephropathy, is not efficient in detecting it atan early stage. Therefore, we explored the utility of glycated humanserum albumin (HSA) peptides for risk prediction of diabetic nephropathy.Three glycation-sensitive HSA peptides, namely, FKDLG-EENFK,KQTAL-VELVK, and KVPQVST-PTLVEVSR, with deoxyfructosyllysine(DFL) modification were quantified by targeted mass spectrometry (MS)in a study population comprising healthy and type II diabetes subjectswith and without nephropathy. Mass spectrometry, receiver operatingcharacteristic (ROC) curve, and correlation analysis revealed thatthe DFL-modified KQTALVELVK peptide was better than other glycatedHSA peptides and HbA(1c) for identifying diabetic nephropathy.DFL-modified KQTALVELVK could be a potential marker for risk predictionof diabetic nephropathy.

}, issn = {2470-1343}, doi = {10.1021/acsomega.3c01219}, author = {Chaurasiya, Arvindkumar H. and Jaiswal, Meera R. and Bayatigeri, Santhakumari and Kahar, Shweta and Tiwari, Shalbha and Unnikrishnan, Ambika G. and Kulkarni, Mahesh J.} } @conference {48799, title = {Fast normalization and despeckled method for skin optical coherence tomography image via deep learning}, booktitle = {Photonics in Dermatology and Plastic Surgery 2023}, year = {2023}, month = {JUL}, publisher = {SPIE}, organization = {SPIE}, address = {1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA}, abstract = {

Optical coherence tomography (OCT) is well-known for its high-resolution, non-invasive imaging modality with many medical uses, including skin imaging. Nevertheless, speckle noise limits the analytical capabilities of this imaging tool, causing deterioration in contrast and less exact detection of tissue microstructural heterogeneity. To address this issue, we proposed OCT despeckling approach by combing it with normalization to reduce the speckle noise more effectively. The proposed method contains multiple steps including phase correlation for alignment of misaligned frames, frame averaging which minimizes speckle noise, region-wise pixels normalization that helps to normalize intensity pixels, a modified BM3D filtering to suppress the white and speckle, and contrast enhancement to improve the contrast appropriately. To establish the approach, we applied 130 distinct B-scan skin OCT images and validate and evaluate the performance using qualitatively and quantitatively. Although the output obtained by the algorithm is promising, the method is time-consuming because of a series of steps. To reduce the time complexity, we also develop a supervised deep learning model by mapping between noisy-despeckled image pairs. The effectiveness and applicability of our DL approach were assessed using 130 skin OCT B-scans from various body areas taken from 45 healthy people between the ages of 20 and 60. With the support of the experimental results, we demonstrate that our DL model is capable to normalize and despeckling OCT images simultaneously.

}, keywords = {CNN, deep learning, denoising, Optical coherence tomography, speckle}, isbn = {978-1-5106-5809-7; 978-1-5106-5810-3}, doi = {10.1117/12.2651211}, author = {Rahaman, Jarjish and Lukas, Brandon and May, Julia and Puyana, Carolina and Tsoukas, Maria and Avanaki, Kamran}, editor = {Choi, B and Zeng, H} } @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 {48447, title = {Governing dynamics and preferential binding of the AXH domain influence the aggregation pathway of Ataxin-1}, journal = {Proteins-Structure Function and Bioinformatics}, volume = {91}, year = {2023}, month = {MAR}, pages = {380-394}, type = {Article}, abstract = {

The present state of understanding the mechanism of Spinocerebellar Ataxia-1, a fatal neurodegenerative disease linked to the protein Ataxin-1 (ATXN1), is baffled by a set of self-contradictory, and hence, inconclusive observations. This fallacy poses a bottleneck to the effective designing of curable drugs as the field is currently missing the specific druggable site. To understand the fundamentals of pathogenesis, we tried to decipher the intricacies of the extremely complicated landscape by targeting the relevant species that supposedly dictate the structure-function paradigm. The atomic-level description and characterization of the dynamism of the systems reveal the existence of structural polymorphism in all the leading stakeholders of the overall system. The very existence of conformational heterogeneity in every species creates numerous possible combinations of favorable interactions because of the variability in segmental cross-talks and hence claims its role in the choice of routes between functional activity and dysfunctional disease-causing aggregation. Despite this emergent configurational diversity, there is a common mode of operative intermolecular forces that dictates the extent of stability of all the multimeric complexes due to the localized population of a specific type of residue. The present research proposes a dynamic switch mechanism between aggregability and functional activity, based on the logical interpretation of the estimated variables, which is practically dictated by the effective concentration of the interacting species involved in the cell.

}, keywords = {Ataxin-1, molecular dynamics simulation, neurodegenerative diseases, Protein aggregation, protein misfolding disorders}, issn = {0887-3585}, doi = {10.1002/prot.26436}, author = {Tammara, Vaishnavi and Das, Atanu} } @article {48824, title = {Green synthesis of GO-loaded Ag/ZnO nanocomposites for methyl orange degradation}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {34}, year = {2023}, month = {JUL}, pages = {1568}, type = {Article}, abstract = {

Nature is a perfect laboratory for creating novel nanomaterials for a variety of applications. A robust green synthesis approach to GO-loaded Ag/ZnO nanocomposite materials using medicinal plant extraction and their potential application in methyl orange dye degradation are reported. The straightforward technique employs zinc and silver nitrate precursors in an aqueous solution of medicinal plant extract, causing the precipitation process. Prior to photocatalytic investigations, the physico-chemical properties of the material are analysed using TG-DTA, XRD, FE-SEM, TEM, EDAX and BET. The developed material showcase hexagonal wurtzite structure of ZnO, with face-centered-cubic phase of Ag and AgCl. All the samples exhibit aggregated, irregular rounded grains, as expected in the precipitation synthesis process. Pristine ZnO showed 15.5\% degradation efficiency towards methyl orange, which was further improved by doping Ag from 0.5 to 2 mol\%. The catalyst with 1 mol\% Ag doping resulted in the better photocatalytic activity (26.30\%), which has again improved by loading the GO (27.46\%). The outcome of this study provides the new insights to GO-loaded Ag/ZnO nanocomposites by green synthesis route, in view of photocatalytic applications.

}, issn = {0957-4522}, doi = {10.1007/s10854-023-10979-6}, author = {Nadargi, Digambar Y. and Nadargi, Jyoti D. and Tamboli, Mohaseen S. and Tamboli, Asiya M. and Mulla, Imitaz S. and Umar, Ahmad and Truong, Nguyen Tam Nguyen and Suryavanshi, Sharad S.} } @article {48815, title = {Hierarchical covalent organic framework-foam for multi-enzyme tandem catalysis}, journal = {Chemical Science}, volume = {14}, year = {2023}, month = {JUN }, pages = {6643-6653}, type = {Article}, abstract = {

Covalent organic frameworks (COFs) are ideal host matrices for biomolecule immobilization and biocatalysis due to their high porosity, various functionalities, and structural robustness. However, the porosity of COFs is limited to the micropore dimension, which restricts the immobilization of enzymes with large volumes and obstructs substrate flow during enzyme catalysis. A hierarchical 3D nanostructure possessing micro-, meso-, and macroporosity could be a beneficial host matrix for such enzyme catalysis. In this study, we employed an in situ CO2 gas effervescence technique to induce disordered macropores in the ordered 2D COF nanostructure, synthesizing hierarchical TpAzo COF-foam. The resulting TpAzo foam matrix facilitates the immobilization of multiple enzymes with higher immobilization efficiency (approximately 1.5 to 4-fold) than the COF. The immobilized cellulolytic enzymes, namely beta-glucosidase (BGL), cellobiohydrolase (CBH), and endoglucanase (EG), remain active inside the TpAzo foam. The immobilized BGL exhibited activity in organic solvents and stability at room temperature (25 degrees C). The enzyme-immobilized TpAzo foam exhibited significant activity towards the hydrolysis of p-nitrophenyl-beta-d-glucopyranoside (BGL@TpAzo-foam: K-m and V-max = 23.5 +/- 3.5 mM and 497.7 +/- 28.0 mu M min(-1)) and carboxymethylcellulose (CBH@TpAzo-foam: K-m and V-max = 18.3 +/- 4.0 mg mL(-1) and 85.2 +/- 9.6 mu M min(-1) and EG@TpAzo-foam: K-m and V-max = 13.2 +/- 2.0 mg mL(-1) and 102.2 +/- 7.1 mu M min(-1)). Subsequently, the multi-enzyme immobilized TpAzo foams were utilized to perform a one-pot tandem conversion from carboxymethylcellulose (CMC) to glucose with high recyclability (10 cycles). This work opens up the possibility of synthesizing enzymes immobilized in TpAzo foam for tandem catalysis.

}, issn = {2041-6520}, doi = {10.1039/d3sc01367g}, author = {Paul, Satyadip and Gupta, Mani and Dey, Kaushik and Mahato, Ashok Kumar and Bag, Saikat and Torris, Arun and Gowd, E. Bhoje and Sajid, Hasnain and Addicoat, Matthew A. and Datta, Supratim and Banerjee, Rahul} } @article {48829, title = {High rate, high temperature, dendrite free plating/stripping of Li in 3-dimensional honeycomb boron carbon nitride to realize an ultrastable lithium metal anode}, journal = {Journal of Energy Storage}, volume = {68}, year = {2023}, month = {SEP}, pages = {107547}, type = {Article}, abstract = {

Lithium (Li) metal could be the anode of choice for energy dense Li-batteries owing to its high theoretical specific capacity. However, low coulombic efficiency and poor safety on account of the occurrence of the Li-dendrites during charging-discharging pose a bottleneck for practical applications. In this work, we report a high-rate plating and stripping of Li through host engineering to realize ultrastable Li metal anode (LMA). Benchmark plating/stripping efficiency could be achieved via uniquely structured, highly ordered honeycomb boron carbon nitride (HBCN) as a functional scaffold. Boron and nitrogen doping, large surface area and ordered mesoporous structure induce homogeneous solid electrolyte interface (SEI) layer formation and provide numerous nucleation sites with subsequent dendrite-free growth with 99.98 \% coulombic efficiency at 8 mA cm(-2) high current and 10 mAh cm(-2) capacity over 3000 cycles. Via post-cycling advanced characterizations techniques of Ex-situ XPS, 3D X-ray micro-tomography analyses and FESEM, we demonstrate the formation of a stable SEI layer and morphological changes that occurred during Li plating cycles in the HBCN structure. Computational studies validate the high lithium plating-stripping efficacy of HBCN to its highly ordered porous nature, exothermic Li-binding and upshift in the Fermi levels. When tested at elevated temperature (50 degrees C), a stable Li plating-stripping in HBCN is realised at 4 mA cm(-2) current and 10 mAh cm(-2) capacity values with similar to 100 \% C.E. Furthermore, we report the results of testing a Li metal cell comprised of Li deposited HBCN anode and LiFePO4 (LFP) cathode.

}, keywords = {Boron carbon nitride, Dendrite-free Li metal anode, Functional scaffold, High temperature plating/stripping of Li, Molecular planarity parameter, X-ray micro-tomography}, issn = {2352-152X}, doi = {10.1016/j.est.2023.107547}, author = {Patrike, Apurva and Karbhal, Indrapal and Wasnik, Kundan and Torris, Arun and Maibam, Ashakiran and Krishnamurty, Sailaja and Shelke, V, Manjusha} } @article {48727, title = {Improving hydrodynamic cavitation using newer surface-coated cavitation reactors}, journal = {Chemical Engineering Research \& Design}, volume = {199}, year = {2023}, month = {NOV}, pages = {238-251}, type = {Article}, abstract = {

Surface-coated cavitation devices, vortex diode (SCVD) have been reported for the first time for enhancing efficiency of hydrodynamic cavitation (HC). Two surface-coated cavitation reactors using coating of copper and nickel (-50 mu m) were evaluated, also comparing results with conventional reactor vortex diode. The proof of concept is successfully demonstrated for complete degradation of two model organic pollutants, antibioticscephalexin (CFX) and ciprofloxacin (CIP). The surface-coated reactors provide dual activity, and the catalytic effect is highly pronounced with process intensification using H2O2 and/ or pH alternations. Integration of SCVD, pH and H2O2 was the most effective strategy. Complete degradation of the antibiotics was achieved within minutes with H2O2 (-1000 molar ratio) for both Cu and Ni-surface-coated cavitation reactors compared to lower degradation of-19\% for CFX and-37\% for CIP using only HC. An excellent enhancement of over 300\% for CFX degradation at pH 11 and-170\% for CIP degradation at pH 4 was obtained. Huge enhancements in per-pass degradation and cavitational yields (up to 400 times) clearly highlight the utility of the surface-coated cavitation reactors in various applications and for cost-effectiveness.(c) 2023 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Hydrodynamic cavitation, Oxidation, pollution, Reactor, Technology, Wastewater treatment}, issn = {0263-8762}, doi = {10.1016/j.cherd.2023.10.002}, author = {Dixit, Divya and Thanekar, Pooja and Bhandari, Vinay M.} } @article {48693, title = {Iron-catalysed highly selective hydroalkoxycarbonylation of alkynes using CO as C1 source}, journal = {Catalysis Science \& Technology}, volume = {13}, year = {2023}, month = {OCT }, pages = {5549-5555}, type = {Article}, abstract = {

Though precious and rare, late-transition metals have been extensively used in metal-catalysed carbonylation reactions in organic transformations. On the other hand, base metals are abundant and cheap, but their practical utilization in carbonylation reactions is rarely explored. Here, we report iron-catalysed hydroalkoxycarbonylation of alkynes to alpha,beta-unsaturated esters in one pot. A readily available iron precursor [Fe2(CO)9] in the presence of a diimine ligand L7 catalyzes the conversion of alkynes to alpha,beta-unsaturated esters under 10 bar CO pressure. This operationally simple protocol tolerates various functional groups and allows facile access to about 40 alpha,beta-unsaturated esters. The synthetic utility of the reaction has been demonstrated by scaling up the reaction to 1 g and by preparing sunscreen/antifungal agents. The kinetic study suggests that the reaction is an approximate 1st order with respect to the iron catalyst, and the initial rate of the reaction is 3.6 x 10-2 M h-1. Mechanistic investigations using NMR spectroscopy indicated the existence of an [Fe-H] intermediate, and control experiments using a radical trapping reagent and EPR revealed the absence of any radical species in the reaction. Precious and rare, late transition metals have been extensively used in carbonylation. An earth abundant iron-catalyst is reported here for hydroalkoxycarbonylation of alkynes in the presence of CO as C1 source.

}, issn = {2044-4753}, doi = {10.1039/d3cy00843f}, author = {Tewari, Tanuja and Kumar, Rohit and Chikkali, Samir H.} } @article {48311, title = {Iron-catalyzed magnesium-mediated formal hydroformylation of alkynes and alkenes}, journal = {ChemCatChem}, volume = {15}, year = {2023}, month = {FEB }, type = {Article}, abstract = {

Alkynes and alkenes are routinely converted to corresponding synthetically versatile aldehydes using rhodium-catalyzed hydroformylation. However, rhodium is rare, precious, costly, and depleting at a considerably high rate. Reported here is iron-catalyzed, magnesium-mediated, formal hydroformylation of alkynes and alkenes in the absence of syngas. Readily available FeCl2 in the presence of alkyl magnesium halide, and dimethyl formamide, catalyzes hydroformylation of various alkynes and selectively produces alpha,beta-unsaturated aldehydes in good to excellent conversion. Mechanistic investigations revealed the presence of vinyl magnesium intermediate, the kinetic study disclosed the first-order dependence of the reaction on iron loading, and the control experiment authenticated the iron catalyst{\textquoteright}s homogeneous nature. The scope of this methodology was amplified, and 20 alkenes were examined. [Fe(acac)(3)] in the presence of ligand, alkyl magnesium halide, and dimethyl formamide catalyzed the hydroformylation of alkenes and displayed good to excellent conversion. An earth-abundant iron catalyst offering a syngas cylinder-free safe alternative to high-pressure hydroformylation has been reported.

}, keywords = {aldehydes, alkenes, Alkynes, Hydroformylation, iron catalysis}, issn = {1867-3880}, doi = {10.1002/cctc.202201394}, author = {Tewari, Tanuja and Kumar, Rohit and Chikkali, Samir H.} } @article {48341, title = {Lead-free solid state mechanochemical synthesis of Cs2NaBi1-XFeXCl6 double perovskite: reduces band gap and enhances optical properties}, journal = {Inorganic Chemistry}, volume = {62}, year = {2023}, month = {MAR}, pages = {4861-4871}, type = {Article}, abstract = {

Efficient and stable lead-free halide double perovskites (DPs) have attracted great attention for the future generation of electronic devices. Herein, we have developed a doping approach to incorporate Fe3+ ions into the Cs2NaBiCl6 crystal unit and reveal a crystallographic and optoelectronic study of the Cs2NaBi1-xFexCl6 double perovskite. We report a simple solid-state mechanochemical method that has a solvent-free, one-step, green chemistry approach for the synthesis of Cs2NaBi1-xFexCl6 phosphor. The analysis of powder X-ray diffraction (XRD) data determines the contraction of the lattice due to the incorporation of Fe3+ cations, and this effect is well supported by X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FE-SEM), Raman spectroscopy, and solid-state nuclear magnetic resonance spectroscopy (ss-NMR). The band gap is reduced with increasing Fe content owing to the strong overlap of the Fe-3d orbitals with Cl-3p orbitals and shift of the valence band maxima (VBM) toward higher energies, as confirmed by ultraviolet photoelectron spectroscopy (UPS) and density functional theory (DFT) analyses. Photoluminescence (PL) studies of Cs2NaBi1-xFexCl6 phosphors exhibit a large Stokes shift, broadband emission, and increased PL intensity more than ten times for 15\% of Fe content phosphor with enhancement in the average decay lifetimes (up to 38 ns) compared to pristine Cs2NaBiCl6 DP. These results indicate that the transition of dark self-trapping of excitons (STEs) into bright STEs enhances yellow emission. XRD, UV, and thermo-gravimetric analysis (TGA) confirmed that the Cs2NaB1-xFexCl6 DPs have good structural and thermal stabilities. Our findings indicate that the doping of Fe3+ cations into the Cs2NaBiCl6 lattice is a constructive strategy to enhance significantly the optoelectronic properties of these phosphors.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c04149}, author = {Udavant, Rohini and Thawarkar, Sachin and Rondiya, Sachin and Shelke, Ankita and Aher, Rahul and Ajithkumar, Thalasseril G. and Cross, Russell W. and Dzade, Nelson Y. and Jadkar, Sandesh} } @article {48790, title = {Luminescent 3D printed poly(lactic acid) nanocomposites with enhanced mechanical properties}, journal = {Polymer Engineering and Science}, volume = {63}, year = {2023}, month = {JUL}, pages = {2059-2072}, type = {Article}, abstract = {

The three-dimensional (3D) printing of functional composite materials has gained tremendous interest in recent years. Nevertheless, research on 3D printing of luminescent composite materials is very limited, and the mechanical properties of such 3D-printed composites are poor. Herein, we report the preparation and characterization of a poly(lactic acid) (PLA) composite that, when 3D printed, exhibits enhanced toughness and high solid-state fluorescence quantum yield. Incorporation of only 1 wt\% pyrene butyric acid modified cellulose nanofibers (PBA-m-CNF) and l0 wt\% thermoplastic polyurethane (TPU) into PLA led to 223\% increase in toughness and 21\% increase in tensile modulus of PLA. Scanning electron microscopy (SEM) and X-ray microcomputed tomography (mu-CT) analysis of the fractured cross-sections of 3D printed composites revealed a ductile failure mode. The PLA/PBA-m-CNF1/TPU10 3D printed composite also exhibited a high solid-state fluorescence quantum yield of 38.35\%. To the best of our knowledge, this is the first report to show both enhanced mechanical properties and high solid-state fluorescence emission for 3D printable PLA. Such functional PLA composites could have potential applications in the fabrication of complex-shaped sensors, optical light pipes, etc.

}, keywords = {3D printing, Composite, fluorescence, Nanocellulose, poly(lactic acid), toughness}, issn = {0032-3888}, doi = {10.1002/pen.26345}, author = {Kothavade, Premkumar Anil and Yadav, Prashant and Nidhankar, Aakash D. and Torris, Arun and Pol, Harshawardhan and Kafi, Abdullah and Bateman, Stuart and Sukumaran, Santosh Babu and Shanmuganathan, Kadhiravan} } @article {48756, title = {Mechanistic insights into near ambient pressure activity of intermetallic NiZn/TiO2 catalyst for CO2 conversion to methanol}, journal = {ChemCatChem}, volume = {15}, year = {2023}, month = {JAN }, type = {Article}, abstract = {

Ni-Zn pair is predicted through descriptor-based studies to be conducive for CO2 hydrogenation. In this study, NiZn (1 : 1) intermetallics supported on TiO2 is identified as a potential candidate for near ambient pressure activity. The effect of reduction temperature on the catalyst textural properties as well as on CO2 to methanol reduction are explored. Structural and microscopic studies provide clear evidence of phase evolution of NiZn alloy with increasing reduction temperatures, along with phase variations of Zn based oxides. Interface between NiZn intermetallics and ZnO nanoparticles observed at reduction temperature of 550 degrees C, seems to play a crucial role in making this system most active and selective to methanol. In addition, in-situ IR studies provide mechanistic insights and indicates the formation of methanolic species even at ambient pressure.

}, keywords = {CCUS, CO2, In-situ IR, Methanol, near ambient pressure}, issn = {1867-3880}, doi = {10.1002/cctc.202201150}, author = {Dongapure, Pavan and Tekawadia, Jyoti and Thundiyil, Shibin and Caha, Ihsan and Deepak, Francis Leonard and Devi, R. Nandini} } @article {48803, title = {Mitigating dendrite formation on a Zn electrode in aqueous zinc chloride by the competitive surface chemistry of an imidazole additive}, journal = {ACS Applied Materials and Interfaces}, volume = {15}, year = {2023}, month = {MAY}, pages = {23093-23103}, type = {Article}, abstract = {

Electrochemical energy storage systems are critical in several ways for a smooth transition from nonrenewable to renewable energy sources. Zn-based batteries are one of the promising alternatives to the existing state-of-the-art Li-ion battery technology, since Li-ion batteries pose significant drawbacks in terms of safety and cost-effectiveness. Zn (with a reduction potential of -0.76 V vs SHE) has a significantly higher theoretical volumetric capacity (5851 mAh/cm3) than Li (2061 mAh/cm3), and it is certainly far less expensive, safer, and more earth-abundant. The formation of dendrites, hydrogen evolution, and the formation of a ZnO passivation layer on the Zn anode are the primary challenges in the development and deployment of rechargeable zinc batteries. In this work, we examine the role of imidazole as an electrolyte additive in 2 M ZnCl2 to prevent dendrite formation during zinc electrodeposition via experimental (kinetics and imaging) and theoretical density functional theory (DFT) studies. To characterize the efficacy and to identify the appropriate concentration of imidazole, linear sweep voltammetry (LSV) and chronoamperometry (CA) are performed with in situ monitoring of the electrodeposited zinc. The addition of 0.025 wt \% imidazole to 2 M ZnCl2 increases the cycle life of Zn-symmetric cells cycled at 1 mA/cm2 for 60 min of plating and stripping dramatically from 90 to 240 h. A higher value of the nucleation overpotential is noted in the presence of imidazole, which suggests that imidazole is adsorbed at a competitively faster rate on the surface of zinc, thereby suppressing the zinc electrodeposition kinetics and the formation. X-ray tomography reveals that a short circuit caused by dendrite formation is the main plausible failure mechanism of Zn symmetric cells. It is observed that the electrodeposition of zinc is more homogeneous in the presence of imidazole, and its presence in the electrolyte also inhibits the production of a passivating coating (ZnO) on the Zn surface, thereby preventing corrosion. DFT calculations conform well with the stated experimental observations.

}, keywords = {dendrite, Density functional theory, exchange current density, Imidazole, X-ray computed tomography, zinc metal electrodeposition}, issn = {1944-8244}, doi = {10.1021/acsami.3c01310}, author = {Rana, Ashutosh and Thakare, Anup and Kumar, Nikhil and Mukherjee, Buddhadev and Torris, Arun and Das, Bidisa and Ogale, Satishchandra and Banerjee, Abhik} } @article {48711, title = {Molecular mechanism of PSMa3 aggregation: a new view}, journal = {Journal of Physical Chemistry B}, volume = {127}, year = {2023}, month = {SEP}, pages = {8317-8330}, type = {Article}, abstract = {

The emergence of a novel cross-alpha fibrillar structure, unlike the commonly observed sequence-independent cross-beta one, of a 22-residue bacterial virulent amphipathic alpha-helical peptide of the phenol soluble modulin (PSM) family, PSM alpha 3, with many deleterious effects on human life, has infused uncertainty to the paradigm of the intrinsically polymorphic, multivariate, multiphasic, and cross-sequence-cross-disease entangled protein aggregation landscape and hence on the identity of the therapeutic target. We, here, deconvolute the factors contributing to the genesis and hence the transition of lower to higher order aggregates of PSM alpha 3 in its natural state and three noncanonical designed variants using conventional and enhanced sampling approach-based atomistic simulations. PSM alpha 3 shows structural polymorphism with nominal alpha-helicity, substantial beta-propensity, and dominant random-coil features, irrespective of the extent of aggregation. Moreover, the individual features of the overall amphipathicity operate alternatively depending on the extent and organization of aggregation; the dominance gradually moves from charged to hydrophobic residues with the progressive generation of higher order aggregates (dimer to oligomer to fibril) and with increasing orderedness of the self-assembled construct (oligomer vs dimer/fibril). Similarly, the contribution of interchain salt bridges decreases with increasing order of aggregation (dimer to oligomer to fibril). However, the intrachain salt bridges consistently display their role in all phases of aggregation. Such phase-independent features also include equivalent roles of electrostatic and van der Waals forces on intrachain interactions, sole contribution of van der Waals forces on interchain cross-talk, and negligible peptide-water relationship. Finally, we propose a conjugate peptide-based aggregation suppressor having a single-point proline mutation.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.3c03806}, author = {Tammara, Vaishnavi and Das, Atanu} } @article {48732, title = {Multipurpose cellulases of Promicromonospora sp. VP111, with broad substrate specificity and tolerance properties}, journal = {Journal of Basic Microbiology}, volume = {63}, year = {2023}, month = {JUL}, pages = {790-800}, type = {Article}, abstract = {

Cellulolytic actinobacterium, Promicromonospora sp. VP111 concomitantly produced cellulases (CELs), xylanase and pectinase when grown on commercial cellulose and untreated agricultural lignocellulosic residues (wheat straw and sugarcane bagasse). Secreted CELs hydrolyzed (enhanced with Co2+ ion) multiple cellulosic substrates, including sodium carboxymethyl cellulose (Na-CMC), Whatman filter paper no. 1, microcrystalline cellulose (avicel), p-nitrophenyl-beta-D-glucopyranoside (pNPG), laminarin, and cellulose powder. The CELs showed stabilities in the presence of various chemicals, including glucose (0.2 M), detergents (1\%, w/v or v/v), denaturants (1\%, w/v or v/v), and sodium chloride (NaCl, 30\%, w/v). The CELs were fractionated using ammonium sulfate precipitation and dialysis. Activities (\%) of fractionated CELs were retained at 60 degrees C for endoglucanase/carboxymethyl cellulase (CMCase) (88.38), filter paper cellulase (FPase) (77.55), and beta-glucosidase (90.52), which indicated of thermo-stability. Similarly, the activities (\%) for CMCase (85.79), FPase (82.48), and beta-glucosidase (85.92) at pH 8.5 indicated of alkaline-stability. Kinetic factors, K-m and V-max for endoglucanase component of fractionated CELs were 0.014 g/l and 158.23 mu M glucose/min/mL, respectively. Fractionated CELs yielded activation energies (kJ/mol) of 17.933, 6.294, and 4.207 for CMCase, FPase, and beta-glucosidase activities, respectively in linear thermostable Arrhenius plots. Thus, this study reports on the multipurpose CELs from an untreated agricultural residue utilizing Promicromonospora in relation to broad substrate specificity, halo-tolerance, alkaline-tolerance, detergent-tolerance, thermo-tolerance, organic solvent-tolerance, and end product-tolerance.

}, keywords = {cellulases, cellulose, Endoglucanase, Lignocellulose, Promicromonospora sp, VP111}, issn = {0233-111X}, doi = {10.1002/jobm.202200679}, author = {Thomas, Lebin and Ram, Hari and Singh, Ved P.} } @article {48750, title = {Novel shear thickening fluids possessing high shear rates using monodispersed silica nanoparticles and PEG}, journal = {Polymer Bulletin}, volume = {80}, year = {2023}, month = {DEC}, pages = {13069-13098}, type = {Article}, abstract = {

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

}, keywords = {Monodispersed silica nanoparticles, Nanocomposite, Polyethylene glycol, Shear rate, Shear thickening fluid}, issn = {0170-0839}, doi = {10.1007/s00289-023-04696-7}, author = {Chavan, Nayaku and Dhage, Atul and Wale, Apparav and Thorave, Asmita and Rajdeo, Kishor and Kamble, Sanjay and Ponrathnam, Surendra and Tambe, Sanjeev and Verma, Sanjeevkumar} } @article {48817, title = {Opaque cell-specific proteome of Candida albicans ATCC 10231}, journal = {Medical Mycology}, volume = {61}, year = {2023}, month = {JUL}, pages = {myad062}, type = {Article}, abstract = {

Candida albicans, a polymorphic opportunistic pathogen of humans, can exist in different morphological forms like yeast, hyphae, pseudohyphae, chlamydospores, and white and opaque cells. Proteomic analysis of opaque form of C. albicans ATCC 10231 is carried out in the present study using microflow liquid chromatography-tandem mass spectrometry and validated using expression analysis of selected genes using reverse transcription quantitative real-time PCR and mitochondrial membrane potential assay. This is the first report identifying opaque cell-specific proteins of C. albicans. A total of 188 proteins were significantly modulated under opaque form compared to white cells, of which 110 were upregulated, and 78 were downregulated. It was observed that oxidative phosphorylation (OxPhos) and oxidative stress are enhanced in C. albicans cells growing under opaque form as proteins involved in OxPhos (Atp1, Atp3, Atp16, Atp7, Cox6, Nuc2, Qcr7, and Sdh12) and oxidative stress response (Gcs1, Gtt11, Gpx2, Sod1, Ccp1, and Lys7) were significantly upregulated. The maximum upregulation of 23.16- and 13.93-fold is observed in the cases of Ccp1 and Nuc2, respectively. The downregulation of proteins, namely Als1, Csh1, Sap9, and Rho1, determining cell surface chemistry indicates modulation in cell wall integrity and reduced adhesion of opaque cells compared to white cells. This study is significant as it is the first draft of the proteomic profile of opaque cells that suggests enhanced OxPhos, oxidative stress, and modulation in cell surface chemistry indicating reduced adhesion and cell wall integrity, which could be associated with reduced virulence in opaque form. However, a deeper investigation is needed to explore it further. Lay Summary Opaque form is one of the least studied morphological forms of Candida albicans. To the best of our knowledge, this is the first report providing opaque cell-specific proteome. It suggests enhanced oxidative phosphorylation, oxidative stress, and modulation in cell surface chemistry, which could be associated with reduced virulence in opaque form.

}, keywords = {albicans, C, LC-MS, MS, opaque, Oxidative stress, OxPhos, protein}, issn = {1369-3786}, doi = {10.1093/mmy/myad062}, author = {Abdulghani, Mazen and Telang, Saraswati and Desai, Manisha and Kadam, Shivdas and Kazi, Rubina and Shelar, Amruta and Patil, Rajendra and Maurya, Radheshyam and Zore, Gajanan} } @article {48292, title = {Oxidation of ethylene by Cu/TiO2: reducibility of Cu2+ in TiO2 as a possible descriptor of catalytic efficiency}, journal = {Catalysis Science \& Technology}, volume = {13}, year = {2023}, month = {APR}, pages = {2330-2339}, type = {Article}, abstract = {

Catalytic oxidation using non-noble metal-based catalysts is a promising approach to mitigate pollution due to VOCs in the air. In this work, mesoporous Cu/TiO2 catalysts containing different concentrations of Cu2+ (0.2, 1, 3, and 4 wt\% Cu w.r.t. Ti) were synthesized using the sol-gel technique. The catalysts were characterized using inductively coupled plasma-optical emission spectrometry, XRD, Raman spectroscopy, N-2 physisorption, cyclic voltammetry, H-2-TPR and electron microscopy to understand the structure and composition. The thermal catalytic gas phase oxidation of ethylene was studied by heating a mixture of ethylene (1.5 vol\%) and air (5.9 vol\%) in the presence of the Cu/TiO2 samples in the temperature range of 298 to 773 K. Cu/TiO2 showed a higher catalytic activity compared to TiO2 for the thermal oxidation of ethylene, indicating a strong promotion by doped copper ions. A volcanic behaviour in the catalytic activity was observed with different concentrations of Cu doping, with 1\% Cu/TiO2 showing a 99.5\% ethylene conversion at 673 K and 100\% selectivity to CO2. The activity of 1\% Cu/TiO2 remained consistent without deactivation for 24 h. At low dopant concentrations of Cu (0.2 and 1\% Cu/TiO2), the reduction of Cu2+ to Cu+ was observed. An interplay of oxygen vacancies (O-V), Cu+, Cu2+ and Ti4+ may be involved in controlling the activity. DRIFT studies indicated the formation of surface bidendate carbonate as a possible intermediate.

}, issn = {2044-4753}, doi = {10.1039/d2cy02170f}, author = {Rajendran, K. and Sharma, Mandeep and Jaison, Augustine and Ankitha, Menon and Tiwari, Ankit D. and Vinod, C. P. and Jagadeesan, Dinesh} } @article {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 {48320, title = {Photoinduced CO2 and N2 reductions on plasmonically enabled gallium oxide}, journal = {Journal of Colloid and Interface Science}, volume = {629}, year = {2023}, month = {JAN}, pages = {654-666}, type = {Article}, abstract = {

Ag-containing ZnO/ b-Ga2O3 semiconductor, which exhibit reduced bandgap, increased light absorption, and hydrophilicity, have been found to be useful for photocatalytic CO2 reduction and N2 fixation by water. The charge-separation is facilitated by the new interfaces and inherent vacancies. The Ag@GaZn demonstrated the highest photocurrent response, about 20-and 2.27-folds that of the Ga and GaZn sam-ples, respectively. CO, CH4, and H2 formed as products for photo-reduction of CO2. Ag@GaZn catalyst exhibited the highest AQY of 0.121 \% at 400 nm (31.2 W/m2). Also, Ag@GaZn generated 740 lmolg-1 of NH4+ ions, which was about 18-folds higher than Ga sample. In situ DRIFTS for isotopic-labelled 13CO2 and 15N2 reaffirmed the photo-activity of as-synthesized catalysts. Density functional theory pro-vided insight into the relative affinity of different planes of heterostructures towards H2O, CO2 and N2 molecules. The structure-photoactivity rationale behind the intriguing Ag@GaZn sample offers a funda-mental insight into the role of plasmonic Ag and design principle of heterostructure with improved pho-toactivity and stability.(c) 2022 Elsevier Inc. All rights reserved.

}, keywords = {CO2 reduction, DRIFTS density functional theory, hydrophilicity, Photocurrent response}, issn = {0021-9797}, doi = {10.1016/j.jcis.2022.09.097}, author = {Ojha, Niwesh and Thakkar, Kavita and Bajpai, Abhinav and Joshi, Kavita and Kumar, Sushant} } @article {48805, title = {Polymerized stimuli-responsive microgels for the removal of organic dye from water}, journal = {Journal of Molecular Liquids}, volume = {375}, year = {2023}, month = {APR }, pages = {121267}, type = {Article}, abstract = {

Polymerized hydrogel materials (PGM) containing uniform-sized stimuli-responsive microgel particles could be promising alternatives for solution-based microgels to remove organic dyes from water. In the current work, PGM is prepared using Poly(N-isopropylacrylamide-co-acrylic acid) based anionic microgels and their ability for uptake and release studies with an oppositely charged dye, methylene blue (MB) is carried out using UV-vis spectroscopy. The mechanism of dye adsorption is understood at a single particle level using light scattering, and zeta potential and the contributions from different molecular interactions among dye molecules and constituting entities of microgels are obtained from molecular docking studies. The maximum dye uptake by PGM is around 80 \% in the swollen state (at pH 7 and 20 degrees C). In contrast, the dye release studies in the deswollen state (at pH 3 and 50 degrees C) show a decrease in the release efficiency from 87 \% to 63 \% of the total dye adsorbed in 4-repeated cycles. The adsorption isotherm follows a sigmoidal (S) model that has been majorly used in different multi-layer adsorption systems. Extensive dynamic and static light scattering studies demonstrate a deswelling of hydrody-namic radius and core-shell radius of microgels at low temperatures (20 degrees C) induced by dye adsorption. At higher temperatures, the dye-adsorbed microgels have a higher hydrodynamic radius than the pure microgels due to the remaining dye molecules within the microgel that do not release even in the deswollen state. Molecular docking studies show that electrostatic interaction dominates between COO- and MB and van der Waals/hydrophobic dominates for MB-NIPAM and MB-COOH docking complex respectively. Our work covering adsorption/desorption properties of the material to the single-particle level can provide a better understanding in formulating reusable smart materials for the remediation of different water pollutants.(c) 2023 Elsevier B.V. All rights reserved.

}, keywords = {dynamic light scattering, Molecular docking, PNIPAM microgels, Removal of organic pollutants, Stimuli -responsive microgels}, issn = {0167-7322}, doi = {10.1016/j.molliq.2023.121267}, author = {Pany, Biswajit and Majundar, Amrito Ghosh and Mohanty, Madhuchhanda and Fyis, K. P. and Dey, Tanima and Tripathy, Gautam and Bhat, Suresh and Yamanaka, Junpei and Mohanty, Priti S.} } @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 {48763, title = {Regulation of trehalose metabolism in insects: from genes to the metabolite window}, journal = {Glycobiology}, volume = {33}, year = {2023}, month = {MAY }, pages = {262-273}, type = {Review}, abstract = {

Trehalose is a major circulatory sugar in the haemolymph of insects. It provides instant energy and protection against stress. Trehalose metabolism is associated with insect growth and development. The architecture and spatio-temporal expression dynamics of trehalose metabolism and transport genes are key for regulation. These genes are controlled by various transcription factors, largely linked to nutrition, insect development, and metamorphosis. Also, trehalose levels are affected by substrate affinities and modifications of enzymes involved in the pathway. A feedback mechanism involving the precursors and products can regulate trehalose metabolism. Further, the neuroendocrine system controls trehalose levels under normal and stressed conditions by producing different hormones. Hypotrehalosemic hormones work under surplus energy conditions to activate haemolymph trehalose uptake and degradation. In contrast, hypertrehalosemic hormones stimulate trehalose production in the fat body and its transport to the haemolymph. However, trehalose metabolism regulation in insects needs to be studied in detail. This review discusses aspects of trehalose synthesis, transport, and degradation dynamics in developmental transition and stress response. Unraveling the epigenetic factors, transcriptional control and chemical or genetic modulators can provide further insights into the intricate regulation of trehalose in a development- and tissue-specific manner. This molecular information about effectors and regulators of trehalose metabolism can be applied in developing diverse biotechnological applications.

}, keywords = {Hormone, Insect development, Metabolic regulation, Stress, trehalose}, issn = {0959-6658}, doi = {10.1093/glycob/cwad011}, author = {Tellis, Meenakshi B. and Kotkar, Hemlata M. and Joshi, Rakesh S.} } @article {48334, title = {Relativistic coupled-cluster study of SrF for low-energy precision tests of fundamental physics}, journal = {Theoretical Chemistry Accounts}, volume = {142}, year = {2023}, month = {FEB}, pages = {15}, type = {Article}, abstract = {

SrF, being a laser-coolable molecule, can be an interesting system for spectroscopic tests of fundamental physics. We present an electronic structure study of this molecule within the four-component relativistic coupled-cluster singles and doubles (RCCSD) framework and employ the RCCSD-based methods to compute its molecular-frame dipole moment and core properties such as hyperfine structure coupling constant and molecular P, T-odd electronic structure parameters that are of great importance for the high-precision tests of fundamental physics. The impact of basis set size, Hamiltonian and nuclear model on the property calculation of SrF is also investigated. The computed results are in good agreement with the available experimental values. The present study shows that the SrF molecule could be useful for high-precision molecular experiments to explore physics beyond the Standard Model of elementary particles.

}, keywords = {Coupled cluster theory, CP violation, Hyperfine structure, Molecular spectroscopy, Relativistic effects}, issn = {1432-881X}, doi = {10.1007/s00214-023-02953-6}, author = {Talukdar, Kaushik and Buragohain, Haimyapriya and Nayak, Malaya K. K. and Vaval, Nayana and Pal, Sourav} } @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 {48819, title = {Tale of two waves: Delineating diverse genomic and transmission landscapes driving the COVID-19 pandemic in Pune, India}, journal = {Journal of Infection and Public Health}, volume = {16}, year = {2023}, month = {AUG}, pages = {1290-1300}, type = {Article}, abstract = {

Background: Modern response to pandemics, critical for effective public health measures, is shaped by the availability and integration of diverse epidemiological outbreak data. Tracking variants of concern (VOC) is integral to understanding the evolution of SARS-CoV-2 in space and time, both at the local level and global context. This potentially generates actionable information when integrated with epidemiological outbreak data.Methods: A city-wide network of researchers, clinicians, and pathology diagnostic laboratories was formed for genome surveillance of COVID-19 in Pune, India. The genomic landscapes of 10,496 sequenced samples of SARS-CoV-2 driving peaks of infection in Pune between December-2020 to March-2022, were determined. As a modern response to the pandemic, a {\textquoteleft}{\textquoteleft}band of five{\textquoteright}{\textquoteright} outbreak data analytics approach was used. This integrated the genomic data (Band 1) of the virus through molecular phylogenetics with key outbreak data including sample collection dates and case numbers (Band 2), demographics like age and gender (Band 3-4), and geospatial mapping (Band 5).Results: The transmission dynamics of VOCs in 10,496 sequenced samples identified B.1.617.2 (Delta) and BA(x) (Omicron formerly known as B.1.1.529) variants as drivers of the second and third peaks of infection in Pune. Spike Protein mutational profiling during pre and post-Omicron VOCs indicated differential rank ordering of high-frequency mutations in specific domains that increased the charge and binding properties of the protein. Time-resolved phylogenetic analysis of Omicron sub-lineages identified a highly divergent BA.1 from Pune in addition to recombinant X lineages, XZ, XQ, and XM. Conclusions: The band of five outbreak data analytics approach, which integrates five different types of data, highlights the importance of a strong surveillance system with high-quality meta-data for understanding the spatiotemporal evolution of the SARS-CoV-2 genome in Pune. These findings have important implica-tions for pandemic preparedness and could be critical tools for understanding and responding to future outbreaks.\& COPY; 2023 Published by Elsevier Ltd on behalf of King Saud Bin Abdulaziz University for Health Sciences. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

}, keywords = {COVID-19, Delta, Omicron, SARS-CoV-2 genomic surveillance, Variant of concern, Whole Genome Sequencing (WGS)}, issn = {1876-0341}, doi = {10.1016/j.jiph.2023.06.004}, author = {Niveditha, Divya and Khan, Soumen and Khilari, Ajinkya and Nadkarni, Sanica and Bhalerao, Unnati and Kadam, Pradnya and Yadav, Ritu and Kanekar, Jugal B. and Shah, Nikita and Likhitkar, Bhagyashree and Sawant, Rutuja and Thakur, Shikha and Tupekar, Manisha and Nagar, Dhriti and Rao, Anjani G. and Jagtap, Rutuja and Jogi, Shraddha and Belekar, Madhuri and Pathak, Maitreyee and Shah, Priyanki and Ranade, Shatakshi and Phadke, Nikhil and Das, Rashmita and Joshi, Suvarna and Karyakarte, Rajesh and Ghose, Aurnab and Kadoo, Narendra and Shashidhara, L. S. and Monteiro, Joy Merwin and Shanmugam, Dhanasekaran and Raghunathan, Anu and Karmodiya, Krishanpal} } @article {48769, title = {Taming the parent oxoborane}, journal = {Chemical Science}, volume = {14}, year = {2023}, month = {JUN}, pages = {5894-5898}, type = {Article}, abstract = {

Despite recent advancements in the chemistry of multiply bound boron compounds, the laboratory isolation of the parent oxoborane moiety, HBO has long remained an unsolved and well-recognized challenge. The reaction of 6-SIDipp(.)BH3 [6-SIDipp = 1,3-di(2,6-diisopropylphenyl)tetrahydropyrimidine2-ylidene] with GaCl3 afforded an unusual boron-gallium 3c-2e compound (1). The addition of water to 1 resulted in the release of H-2 and the formation of a rare acid stabilized neutral parent oxoborane, LB(H)]O (2). Crystallographic and density functional theory (DFT) analyses support the presence of a terminal B=O double bond. Subsequent addition of another equivalent of water molecule led to hydrolysis of the B-H bond to the B-OH bond, but the {\textquoteleft}B=O{\textquoteright} moiety remained intact, resulting in the formation of the hydroxy oxoborane compound (3), which can be classified as a monomeric form of metaboric acid.

}, issn = {2041-6520}, doi = {10.1039/d3sc01544k}, author = {Kundu, Gargi and Amrutha, P. R. and Raj, K. Vipin and Tothadi, Srinu and Vanka, Kumar and Sen, Sakya S.} } @article {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 {48306, title = {Trehalose transporter-like gene diversity and dynamics enhances stress response and recovery in Helicoverpa armigera}, journal = {Gene}, volume = {862}, year = {2023}, month = {APR}, pages = {147259}, type = {Article}, abstract = {

Trehalose is a primary sugar and its distribution across the insect body, regulated by trehalose transporters (TRETs), is essential for sugar metabolism and energy homeostasis. The large diversity of Tret-like sugar trans-porters (ST), belonging to SLC2A transporter family, in polyphagous insects probably contributes to their extremely adaptive nature. We aim to study spatio-temporal expression dynamics and functional relevance of ST transcript variants in the lepidopteran model organism, Helicoverpa armigera. Identification of 69 putative Tret-like HaST transcript variants from databases and their digital gene expression analysis indicated tissue and development-specific expression patterns. Phylogenetic and sequence similarity network analysis of HaSTs signify evolutionary divergence, while motif and structure analysis depicted conserved signatures. In vitro gene expression validation for selected genes depicts that HaST09 and 69 are fat body and haemolymph-specific. While, HaST06, 30, 36 and 57 are developmental stage or sex-specific. HaST69 has high expression in the haemolymph of fifth instar larvae. In the presence of trehalose metabolism inhibitors and abiotic stress, HaSTs expression show dysregulation, indicating their possible association with trehalose metabolism and stress re-covery. In vivo gene silencing of HaST69 resulted in reduced trehalose accumulation in the insect body, sug-gesting its plausible role in sugar metabolism. The overall understanding of HaST diversity and expression dynamics highlights their putative roles in sugar transport during adaptation and stress recovery of insects.

}, keywords = {Gene expression, Helicoverpa armigera, Stress, Transporter-like, trehalose}, issn = {0378-1119}, doi = {10.1016/j.gene.2023.147259}, author = {Tellis, Meenakshi B. and Chaudhari, Bhagyashri Y. and Deshpande, Shweta V. and Nikam, Sanika V. and Barvkar, Vitthal T. and Kotkar, Hemlata M. and Joshi, Rakesh S.} } @article {48455, title = {Ultrafast spectroscopy of plasmons and free carriers in 2D MXenes}, journal = {Advanced Materials}, volume = {35}, year = {2023}, month = {FEB}, type = {Article}, abstract = {

2D MXenes have diverse and chemically tunable optical properties that arise from an interplay between free carriers, interband transitions, and plasmon resonances. The nature of photoexcitations and their dynamics in three different members of the MXene family, Ti3C2, Mo2Ti2C3, and Nb2C, are investigated using two complementary pump-probe techniques, transient optical absorption, and time-resolved terahertz (THz) spectroscopy. Measurements reveal pronounced plasmonic effects in the visible and near-IR in all three. Optical excitation, with either 400 or 800 nm pulses, results in a rapid increase in lattice temperature, evidenced by a pronounced broadening of the plasmon mode that presents as a plasmon bleach in transient absorption measurements. Observed kinetics of plasmon bleach recovery provide a means to monitor lattice cooling. Remarkably slow cooling, proceeding over hundreds of picoseconds to nanoseconds time scales, implies MXenes have low thermal conductivities. The slowest recovery kinetics are observed in the MXene with the highest free carrier density, viz. Ti3C2, that supports phonon scattering by free carriers as a possible mechanism limiting thermal conductivity. These new insights into photoexcitation dynamics can facilitate their applications in photothermal solar energy conversion, plasmonic devices, and even photothermal therapy and drug delivery.

}, keywords = {2D properties, MXenes, Optical properties, plasmons, ultrafast spectroscopy}, issn = {0935-9648}, doi = {10.1002/adma.202208659}, author = {Colin-Ulloa, Erika and Fitzgerald, Andrew and Montazeri, Kiana and Mann, Javery and Natu, Varun and Ngo, Ken and Uzarski, Joshua and Barsoum, Michel W. and Titova, Lyubov V.} } @article {48802, title = {Unleashing methylammonium-guanidinium lead iodide hybrid perovskite spherulitic microstructures: a structural and morphological investigation}, journal = {MRS Communications}, volume = {13}, year = {2023}, month = {JUN}, pages = {406-415}, type = {Article}, abstract = {

Perovskites can offer an attractive replacement option for existing commercial solar technologies. Herein microstructure plays an important role in improving the efficiency and stability of solar cells. Previously unidentified spherulitic microstructures of self-assembled polycrystalline perovskites are explored in this report. For this an intermediate phase of a promising guanidinium (GUAI)-rich perovskite has been investigated for its structural and morphological properties. This study infuses new insight into the evolution of perovskite microstructure from heterogeneity to homogeneity, as a result unravels the structure of perovskite embryonic spherulites, lamellar arrangements, transcrystalline nature, novel spherulites bridging, hole nucleation, impingement, and defects.

}, keywords = {Microstructure, Morphology, Nucleation \& growth, Perovskites, Phase transformation, X-ray diffraction (XRD)}, issn = {2159-6859}, doi = {10.1557/s43579-023-00375-w}, author = {Mukul, Monika and Kaliaperumal, Selvaraj and Rani, Mamta and Tripathi, Surya Kant} } @article {48835, title = {Unprecedented energy storage in metal-organic complexes via constitutional isomerism}, journal = {Chemical Science}, volume = {14}, year = {2023}, month = {JUN}, pages = {6383-6392}, type = {Article}, abstract = {

The essence of any electrochemical system is engraved in its electrical double layer (EDL), and we report its unprecedented reorganization by the structural isomerism of molecules, with a direct consequence on their energy storage capability. Electrochemical and spectroscopic analyses in combination with computational and modelling studies demonstrate that an attractive field-effect due to the molecule{\textquoteright}s structural-isomerism, in contrast to a repulsive field-effect, spatially screens the ion-ion coulombic repulsions in the EDL and reconfigures the local density of anions. In a laboratory-level prototype supercapacitor, those with beta-structural isomerism exhibit nearly 6-times elevated energy storage compared to the state-of-the-art electrodes, by delivering similar to 535 F g(-1) at 1 A g(-1) while maintaining high performance metrics even at a rate as high as 50 A g(-1). The elucidation of the decisive role of structural isomerism in reconfiguring the electrified interface represents a major step forward in understanding the electrodics of molecular platforms.

}, issn = {2041-6520}, doi = {10.1039/d3sc01692g}, author = {Kottaichamy, Alagar Raja and Deebansok, Siraprapha and Deng, Jie and Nazrulla, Mohammed Azeezulla and Zhu, Yachao and Bhat, Zahid Manzoor and Devendrachari, Mruthyunjayachari Chattanahalli and Vinod, Chathakudath Prabhakaran and Kotresh, Harish Makri Nimbegondi and Fontaine, Olivier and Thotiyl, Musthafa Ottakam} }